A0A077Z327_TRITR Loading...

Defensin-related cryptdin-related sequence 10

AlphaFold DB , UniProt , Accession A0A077Z327, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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	33.9	Very low	36.6	Very low	216 Å²	216	73.3 Å²	73.3	100%	1.064	37%	0.367	S	S	*	.				0	114.3	0	-83.1	-177.4	-172.9	0	0	106.8	P122	M1-P122 HydrophobicContact SD-CG 3.81Å
2	V	28.7	Very low	37.1	Very low	107 Å²	107	69.4 Å²	69.4	65%	0.648	35%	0.35	S	S	*	.			trans	-70.9	130.7	172.2	-177.2	0	0	0	0	107.3	E4 D39	V2-E4 PolarHBondContact O-N 3.24Å; V2-D39 WeakPolarHBondContact CG1-OD2 3.28Å
3	E	31.9	Very low	38	Very low	93 Å²	93	76.5 Å²	76.5	44%	0.435	38%	0.377	S	S	.	.			trans	-79.6	107.8	173.9	-76	-170.5	161.5	0	0	108.8	K5 K121	E3-K5 PolarHBondContact O-N 3.17Å; E3-K121 WeakPolarHBondContact OE1-CE 3.2Å; E3-K121 IonicContact OE1-NZ 2.65Å; E3-K121 PolarHBondContact OE1-NZ 3.23Å
4	E	32.8	Very low	38.5	Very low	45 Å²	45	72.9 Å²	72.9	21%	0.21	36%	0.36	C	S	.	.			trans	-65.5	126.4	170.4	-71	177.5	171	0	0	109.6	V2 H6 D39 A40 T120	V2-E4 PolarHBondContact O-N 3.24Å; E4-H6 IonicContact OE2-NE2 3.74Å; E4-D39 HydrophobicContact CG-CB 4.4Å; E4-A40 WeakPolarHBondContact OE1-CB 3.33Å; E4-A40 PolarHBondContact OE1-N 3.25Å; E4-T120 WeakPolarHBondContact CB-OG1 3.45Å; E4-T120 PolarHBondContact O-OG1 3.23Å
5	K	34.7	Very low	39	Very low	147 Å²	147	68.3 Å²	68.3	64%	0.639	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.7	176.7	-64.4	-171.9	179.8	173.5	0	108.5	E3 L119	E3-K5 PolarHBondContact O-N 3.17Å; K5-L119 HydrophobicContact CD-CD2 4.42Å; K5-L119 HydrophobicContact CG-CD2 3.86Å
6	H	38.3	Very low	39.6	Very low	5 Å²	5	69.6 Å²	69.6	2%	0.023	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.5	174	-55.7	-80.1	0	0	0	111	E4 L42 Y74 F118 T120	E4-H6 IonicContact OE2-NE2 3.74Å; H6-L42 WeakPolarHBondContact NE2-CD1 3.43Å; H6-Y74 PolarHBondContact CD2-OH 3.32Å; H6-F118 HydrophobicContact CB-CE1 4.18Å; H6-F118 HydrophobicContact CB-CE2 3.85Å; H6-F118 HydrophobicContact CB-CZ 3.66Å; H6-F118 PolarHBondContact N-O 3.29Å; H6-F118 PolarHBondContact O-N 2.87Å; H6-F118 VanDerWaalsContact O-O 3.08Å; H6-T120 VanDerWaalsContact CD2-CG2 3.41Å; H6-T120 WeakPolarHBondContact CD2-CG2 3.41Å; H6-T120 PolarHBondContact CD2-OG1 3.02Å; H6-T120 PolarHBondContact NE2-OG1 3.06Å
7	R	36.7	Very low	40	Very low	92 Å²	92	67.6 Å²	67.6	35%	0.347	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.6	178.2	-167.8	176.1	-176.3	-168.8	-2.3	109.1	V9 S115	R7-V9 HydrophobicContact CG-CG2 4.14Å; R7-S115 VanDerWaalsContact CZ-OG 3.24Å; R7-S115 PolarHBondContact NE-OG 3.03Å; R7-S115 PolarHBondContact NH2-OG 3.24Å
8	L	41.8	Very low	40.3	Very low	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.3	165.9	-149.3	105.9	0	0	0	108.1	T29 L44 P50 L70 V72 F116 F118	L8-T29 HydrophobicContact CD2-CG2 3.43Å; L8-T29 VanDerWaalsContact CD2-CG2 3.43Å; L8-T29 HydrophobicContact CG-CG2 3.85Å; L8-L44 HydrophobicContact CD1-CD1 4.33Å; L8-P50 HydrophobicContact CD2-CG 4.27Å; L8-L70 HydrophobicContact CD1-CD2 4.41Å; L8-L70 HydrophobicContact CD2-CD1 4.31Å; L8-L70 HydrophobicContact CD2-CD2 3.49Å; L8-L70 VanDerWaalsContact CD2-CD2 3.49Å; L8-L70 HydrophobicContact CD2-CG 4.47Å; L8-L70 HydrophobicContact CG-CD2 4.41Å; L8-V72 HydrophobicContact CD1-CG1 4.12Å; L8-V72 HydrophobicContact CD1-CG2 3.82Å; L8-F116 HydrophobicContact CB-CB 4.45Å; L8-F116 PolarHBondContact N-O 3.46Å; L8-F116 PolarHBondContact O-N 3.5Å; L8-F118 HydrophobicContact CB-CD1 3.94Å; L8-F118 HydrophobicContact CB-CE1 3.59Å; L8-F118 HydrophobicContact CD1-CE1 3.79Å; L8-F118 HydrophobicContact CD1-CZ 4.33Å; L8-F118 HydrophobicContact CG-CE1 4.33Å
9	V	38.8	Very low	40.6	Very low	48 Å²	48	61.5 Å²	61.5	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.8	171	-173.8	0	0	0	0	107.9	R7 T29	R7-V9 HydrophobicContact CG-CG2 4.14Å; V9-T29 WeakPolarHBondContact O-CA 3.25Å; V9-T29 WeakPolarHBondContact O-CG2 2.97Å
10	A	43.3	Very low	41	Very low	3 Å²	3	64.8 Å²	64.8	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.8	173.8	0	0	0	0	0	109.8	L15 L27 T29 F116	A10-L15 HydrophobicContact CB-CD1 4.21Å; A10-L15 HydrophobicContact CB-CD2 4.5Å; A10-L15 HydrophobicContact CB-CG 4.14Å; A10-L27 HydrophobicContact CB-CD2 3.76Å; A10-T29 HydrophobicContact CB-CG2 4.16Å; A10-F116 HydrophobicContact CB-CD2 4.45Å; A10-F116 HydrophobicContact CB-CE2 4.31Å
11	S	41.6	Very low	40.9	Very low	50 Å²	50	63.6 Å²	63.6	35%	0.35	33%	0.328	S	S	.	.			trans	-65.3	140.8	174.1	89.9	0	0	0	0	110.8	K13 N14 L15	S11-K13 PolarHBondContact O-N 3.45Å; S11-N14 PolarHBondContact O-N 3.39Å; S11-N14 PolarHBondContact OG-N 2.97Å; S11-N14 PolarHBondContact OG-ND2 2.77Å; S11-L15 PolarHBondContact O-N 3.08Å
12	V	43.2	Very low	41.2	Very low	27 Å²	27	59.6 Å²	59.6	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-53.3	-41.6	179.4	-177.9	0	0	0	0	111.4	N14 L15 Q16 V110 K112	V12-N14 VanDerWaalsContact C-N 3.27Å; V12-N14 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 2.77Å; V12-Q16 WeakPolarHBondContact O-CB 2.9Å; V12-Q16 PolarHBondContact O-N 2.66Å; V12-V110 HydrophobicContact CG1-CB 4.39Å; V12-V110 HydrophobicContact CG1-CG1 4.09Å; V12-K112 VanDerWaalsContact CG2-CA 3.5Å; V12-K112 WeakPolarHBondContact CG2-O 3.24Å
13	K	47.9	Very low	41.7	Very low	162 Å²	162	62.1 Å²	62.1	70%	0.704	31%	0.312	S	S	*	.	H	α-helix	trans	-56.2	-43.9	179.6	-170.4	177.5	-179.1	-179.2	0	111.1	S11 Q16 T17	S11-K13 PolarHBondContact O-N 3.45Å; K13-Q16 PolarHBondContact O-N 2.91Å; K13-T17 PolarHBondContact O-N 3.01Å; K13-T17 PolarHBondContact O-OG1 3.31Å
14	N	45.5	Very low	42	Very low	26 Å²	26	62.8 Å²	62.8	14%	0.139	32%	0.322	C	S	.	.	H	α-helix	trans	-74.2	-35.2	-177	-60.7	-19.5	0	0	0	112.1	S11 V12 Q16 A18 A25 L27 N28	S11-N14 PolarHBondContact O-N 3.39Å; S11-N14 PolarHBondContact OG-N 2.97Å; S11-N14 PolarHBondContact OG-ND2 2.77Å; V12-N14 VanDerWaalsContact C-N 3.27Å; V12-N14 PolarHBondContact O-N 3.47Å; N14-Q16 VanDerWaalsContact C-N 3.34Å; N14-A18 PolarHBondContact O-N 3.16Å; N14-A18 VanDerWaalsContact O-N 3.1Å; N14-A25 WeakPolarHBondContact O-CB 3.09Å; N14-L27 HydrophobicContact CB-CB 4.41Å; N14-L27 HydrophobicContact CB-CD2 3.11Å; N14-L27 HydrophobicContact CB-CG 4Å; N14-N28 PolarHBondContact ND2-N 2.82Å
15	L	46	Very low	42	Very low	3 Å²	3	60.9 Å²	60.9	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-42.5	170.4	-74	166.6	0	0	0	111	A10 S11 V12 A18 L19 F102 V110 F116	A10-L15 HydrophobicContact CB-CD1 4.21Å; A10-L15 HydrophobicContact CB-CD2 4.5Å; A10-L15 HydrophobicContact CB-CG 4.14Å; S11-L15 PolarHBondContact O-N 3.08Å; V12-L15 PolarHBondContact O-N 2.77Å; L15-A18 PolarHBondContact O-N 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.34Å; L15-F102 HydrophobicContact CD2-CE2 4.44Å; L15-F102 HydrophobicContact CD2-CZ 4.39Å; L15-V110 HydrophobicContact CB-CG1 4.35Å; L15-V110 HydrophobicContact CD1-CG1 4.22Å; L15-F116 HydrophobicContact CD1-CE2 3.85Å; L15-F116 HydrophobicContact CD1-CZ 4.22Å; L15-F116 HydrophobicContact CD2-CE2 3.71Å; L15-F116 HydrophobicContact CD2-CZ 3.84Å; L15-F116 HydrophobicContact CG-CE2 4.34Å
16	Q	48	Very low	42.1	Very low	89 Å²	89	63.1 Å²	63.1	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-37.7	179.7	-154	144	10.7	0	0	111.8	V12 K13 N14 L19 N20	V12-Q16 WeakPolarHBondContact O-CB 2.9Å; V12-Q16 PolarHBondContact O-N 2.66Å; K13-Q16 PolarHBondContact O-N 2.91Å; N14-Q16 VanDerWaalsContact C-N 3.34Å; Q16-L19 PolarHBondContact O-N 3.48Å; Q16-N20 WeakPolarHBondContact O-CB 3.32Å; Q16-N20 PolarHBondContact O-N 2.89Å; Q16-N20 PolarHBondContact O-ND2 3.45Å
17	T	46.6	Very low	42.1	Very low	37 Å²	37	62.9 Å²	62.9	23%	0.227	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-44.5	170.6	-57.4	0	0	0	0	112.2	K13 N20 Q22 A25	K13-T17 PolarHBondContact O-N 3.01Å; K13-T17 PolarHBondContact O-OG1 3.31Å; T17-N20 PolarHBondContact O-N 3.25Å; T17-Q22 HydrophobicContact CG2-CB 4.04Å; T17-A25 HydrophobicContact CG2-CB 3.88Å
18	A	45.5	Very low	42.2	Very low	5 Å²	5	64.7 Å²	64.7	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-37.3	176.5	0	0	0	0	0	112.9	N14 L15 N20 G21 A25 V52	N14-A18 PolarHBondContact O-N 3.16Å; N14-A18 VanDerWaalsContact O-N 3.1Å; L15-A18 PolarHBondContact O-N 3.24Å; A18-N20 VanDerWaalsContact C-N 3.32Å; A18-N20 PolarHBondContact O-N 3.24Å; A18-G21 PolarHBondContact O-N 3.21Å; A18-A25 HydrophobicContact CB-CB 3.9Å; A18-V52 HydrophobicContact CB-CB 3.62Å; A18-V52 HydrophobicContact CB-CG1 3.64Å; A18-V52 HydrophobicContact CB-CG2 3.92Å
19	L	45.3	Very low	42.1	Very low	13 Å²	13	66.2 Å²	66.2	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-33.8	177.3	-73.1	169.9	0	0	0	112.5	L15 Q16 G21 Y68 I104 H107 V110	L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.34Å; Q16-L19 PolarHBondContact O-N 3.48Å; L19-G21 PolarHBondContact O-N 3.15Å; L19-Y68 HydrophobicContact CD2-CD2 4.43Å; L19-Y68 HydrophobicContact CD2-CE1 3.93Å; L19-Y68 HydrophobicContact CD2-CE2 3.53Å; L19-Y68 WeakPolarHBondContact CD2-OH 3.47Å; L19-I104 HydrophobicContact CD1-CD1 4.11Å; L19-I104 HydrophobicContact CD2-CB 4.5Å; L19-I104 HydrophobicContact CD2-CD1 3.54Å; L19-I104 HydrophobicContact CD2-CG2 4.48Å; L19-I104 HydrophobicContact CG-CD1 4.18Å; L19-H107 VanDerWaalsContact CD2-ND1 3.33Å; L19-H107 WeakPolarHBondContact CD2-ND1 3.33Å; L19-V110 HydrophobicContact CD1-CG2 3.23Å
20	N	49.8	Very low	41.9	Very low	128 Å²	128	74.5 Å²	74.5	68%	0.684	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	6.2	178.7	-70.1	-15.1	0	0	0	114	Q16 T17 A18	Q16-N20 WeakPolarHBondContact O-CB 3.32Å; Q16-N20 PolarHBondContact O-N 2.89Å; Q16-N20 PolarHBondContact O-ND2 3.45Å; T17-N20 PolarHBondContact O-N 3.25Å; A18-N20 VanDerWaalsContact C-N 3.32Å; A18-N20 PolarHBondContact O-N 3.24Å
21	G	38.9	Very low	41.7	Very low	39 Å²	39	76.1 Å²	76.1	40%	0.402	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	9.6	172.6	0	0	0	0	0	115.1	A18 L19 Q23	A18-G21 PolarHBondContact O-N 3.21Å; L19-G21 PolarHBondContact O-N 3.15Å; G21-Q23 PolarHBondContact O-N 2.8Å; G21-Q23 VanDerWaalsContact O-N 3.12Å
22	Q	40.5	Very low	41.4	Very low	132 Å²	132	79.7 Å²	79.7	62%	0.617	39%	0.39	S	S	*	.			trans	-72	105.9	163.7	-73.5	-167.9	-28.1	0	0	107.9	T17 T24	T17-Q22 HydrophobicContact CG2-CB 4.04Å; Q22-T24 PolarHBondContact O-N 3.46Å
23	Q	39.3	Very low	40.9	Very low	160 Å²	160	82.5 Å²	82.5	75%	0.748	40%	0.404	S	S	*	.	S	Bend	trans	-56.7	-8.2	-168.5	-76.2	-172.3	-16.3	0	0	115.8	G21	G21-Q23 PolarHBondContact O-N 2.8Å; G21-Q23 VanDerWaalsContact O-N 3.12Å
24	T	36.8	Very low	40.1	Very low	107 Å²	107	77.5 Å²	77.5	66%	0.656	39%	0.388	S	S	*	.			trans	-149.2	77.4	-175.9	28.5	0	0	0	0	109.7	Q22 R26 I51	Q22-T24 PolarHBondContact O-N 3.46Å; T24-R26 PolarHBondContact O-N 3.01Å; T24-I51 HydrophobicContact CG2-CG2 4.32Å
25	A	34.4	Very low	39.5	Very low	5 Å²	5	86 Å²	86	4%	0.041	43%	0.427	C	S	.	.			trans	-80.4	113.3	165.2	0	0	0	0	0	108.9	N14 T17 A18 L27	N14-A25 WeakPolarHBondContact O-CB 3.09Å; T17-A25 HydrophobicContact CG2-CB 3.88Å; A18-A25 HydrophobicContact CB-CB 3.9Å; A25-L27 PolarHBondContact O-N 3.48Å
26	R	35.6	Very low	38.6	Very low	194 Å²	194	90.1 Å²	90.1	73%	0.732	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-69.2	113	167.2	-78.9	-179.5	166.4	-157.5	3.5	108.6	T24 D49	T24-R26 PolarHBondContact O-N 3.01Å; R26-D49 HydrophobicContact CB-CB 4.03Å; R26-D49 WeakPolarHBondContact CD-OD2 3.32Å; R26-D49 HydrophobicContact CG-CB 3.88Å; R26-D49 VanDerWaalsContact CG-OD2 3.24Å; R26-D49 WeakPolarHBondContact CG-OD2 3.49Å; R26-D49 IonicContact CZ-OD2 3.63Å; R26-D49 IonicContact NE-OD2 3.32Å; R26-D49 PolarHBondContact NE-OD2 2.89Å; R26-D49 IonicContact NH1-OD2 3.61Å
27	L	39.2	Very low	37.7	Very low	0 Å²	0	91.9 Å²	91.9	0%	0	47%	0.471	C	S	.	.			trans	-88.8	105.3	-179.7	-76	164.7	0	0	0	109.6	A10 N14 A25 T29 P50 V52 L70	A10-L27 HydrophobicContact CB-CD2 3.76Å; N14-L27 HydrophobicContact CB-CB 4.41Å; N14-L27 HydrophobicContact CB-CD2 3.11Å; N14-L27 HydrophobicContact CB-CG 4Å; A25-L27 PolarHBondContact O-N 3.48Å; L27-T29 HydrophobicContact CB-CG2 4.03Å; L27-T29 PolarHBondContact O-N 2.65Å; L27-P50 HydrophobicContact CB-CB 4.32Å; L27-P50 HydrophobicContact CB-CG 3.65Å; L27-P50 HydrophobicContact CD1-CB 3.87Å; L27-P50 HydrophobicContact CD1-CG 3.94Å; L27-P50 HydrophobicContact CG-CG 4.48Å; L27-P50 WeakPolarHBondContact O-CD 3.2Å; L27-V52 HydrophobicContact CD1-CG2 3.31Å; L27-V52 HydrophobicContact CD2-CG2 4.48Å; L27-V52 HydrophobicContact CG-CG2 3.99Å; L27-L70 HydrophobicContact CD1-CD1 3.46Å; L27-L70 VanDerWaalsContact CD1-CD1 3.46Å
28	N	38.2	Very low	36.6	Very low	130 Å²	130	97 Å²	97	70%	0.695	50%	0.498	S	S	*	.			trans	-63.4	99	163.1	-107.9	-23	0	0	0	109	N14	N14-N28 PolarHBondContact ND2-N 2.82Å
29	T	39.7	Very low	35.6	Very low	32 Å²	32	100.5 Å²	100.5	20%	0.196	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.2	-179.7	44.2	0	0	0	0	110.8	L8 V9 A10 L27 P50	L8-T29 HydrophobicContact CD2-CG2 3.43Å; L8-T29 VanDerWaalsContact CD2-CG2 3.43Å; L8-T29 HydrophobicContact CG-CG2 3.85Å; V9-T29 WeakPolarHBondContact O-CA 3.25Å; V9-T29 WeakPolarHBondContact O-CG2 2.97Å; A10-T29 HydrophobicContact CB-CG2 4.16Å; L27-T29 HydrophobicContact CB-CG2 4.03Å; L27-T29 PolarHBondContact O-N 2.65Å; T29-P50 HydrophobicContact CG2-CG 3.62Å; T29-P50 WeakPolarHBondContact OG1-CD 3.49Å; T29-P50 VanDerWaalsContact OG1-CG 3.31Å; T29-P50 WeakPolarHBondContact OG1-CG 3.04Å
30	R	35.4	Very low	34.7	Very low	222 Å²	222	102 Å²	102	84%	0.838	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.3	168.6	-123.6	176.8	-179.2	-174.2	-0.8	108
31	V	38.3	Very low	33.6	Very low	38 Å²	38	99.8 Å²	99.8	23%	0.23	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.6	167.4	-176.1	0	0	0	0	107	L44	V31-L44 HydrophobicContact CG2-CB 3.9Å; V31-L44 HydrophobicContact CG2-CD1 3.19Å; V31-L44 HydrophobicContact CG2-CG 3.54Å
32	Q	34.4	Very low	33.1	Very low	124 Å²	124	98.6 Å²	98.6	58%	0.579	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.2	167.3	-122.8	172.7	-8.1	0	0	107.3
33	L	33.8	Very low	32.6	Very low	86 Å²	86	98.2 Å²	98.2	45%	0.45	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-66.8	143.6	171.1	-73.6	148.7	0	0	0	108.9	T41	L33-T41 HydrophobicContact CD1-CG2 3.63Å; L33-T41 HydrophobicContact CD2-CG2 3.53Å; L33-T41 HydrophobicContact CG-CG2 4.21Å
34	P	31.9	Very low	32.1	Very low	58 Å²	58	91.8 Å²	91.8	38%	0.377	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-59.4	142.2	169	24.9	-30.1	0	0	0	109.5	T36	P34-T36 PolarHBondContact O-N 2.94Å
35	E	31.8	Very low	31.8	Very low	204 Å²	204	88.9 Å²	88.9	95%	0.953	46%	0.457	S	S	*	.	S	Bend	trans	-70.6	25.8	-179.1	-68.1	-178.4	152.3	0	0	113.8
36	T	28	Very low	31.6	Very low	90 Å²	90	95.3 Å²	95.3	55%	0.552	50%	0.5	S	S	*	.			trans	-114.1	133.1	-178.8	47.2	0	0	0	0	111	P34 D38	P34-T36 PolarHBondContact O-N 2.94Å; T36-D38 PolarHBondContact O-N 3.25Å
37	P	27.5	Very low	31.4	Very low	125 Å²	125	94.5 Å²	94.5	81%	0.812	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-5.6	-161.2	-14.3	30.3	0	0	0	117.3
38	D	24.8	Very low	31.2	Very low	146 Å²	146	95.9 Å²	95.9	78%	0.781	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	4.4	-158.7	-75.4	-41.8	0	0	0	117.8	T36	T36-D38 PolarHBondContact O-N 3.25Å
39	D	23.8	Very low	31.2	Very low	78 Å²	78	91.8 Å²	91.8	42%	0.417	49%	0.491	S	S	.	.	S	Bend	trans	-125.6	147.7	179	-74	-44.9	0	0	0	112.4	V2 E4 T41	V2-D39 WeakPolarHBondContact CG1-OD2 3.28Å; E4-D39 HydrophobicContact CG-CB 4.4Å; D39-T41 PolarHBondContact O-N 2.84Å
40	A	25.8	Very low	31.3	Very low	44 Å²	44	90.4 Å²	90.4	36%	0.364	48%	0.483	S	S	.	.			trans	-52.8	125.6	-147.7	0	0	0	0	0	115.6	E4 L42	E4-A40 WeakPolarHBondContact OE1-CB 3.33Å; E4-A40 PolarHBondContact OE1-N 3.25Å; A40-L42 PolarHBondContact O-N 3.02Å
41	T	27	Very low	31.5	Very low	82 Å²	82	83.6 Å²	83.6	50%	0.503	46%	0.462	S	S	.	.			trans	-63.1	105.8	172.1	-40.9	0	0	0	0	109.8	L33 D39 H43	L33-T41 HydrophobicContact CD1-CG2 3.63Å; L33-T41 HydrophobicContact CD2-CG2 3.53Å; L33-T41 HydrophobicContact CG-CG2 4.21Å; D39-T41 PolarHBondContact O-N 2.84Å; T41-H43 PolarHBondContact O-CD2 2.79Å; T41-H43 VanDerWaalsContact O-CD2 3.25Å; T41-H43 PolarHBondContact O-N 3.13Å
42	L	29.6	Very low	31.6	Very low	14 Å²	14	82.1 Å²	82.1	7%	0.073	45%	0.453	C	S	.	.			trans	-87.6	100.4	-176.9	-146.6	132.7	0	0	0	111.2	H6 A40 L44 Y74 F76 T120	H6-L42 WeakPolarHBondContact NE2-CD1 3.43Å; A40-L42 PolarHBondContact O-N 3.02Å; L42-L44 HydrophobicContact CD2-CD2 4.21Å; L42-L44 HydrophobicContact CD2-CG 4.49Å; L42-L44 PolarHBondContact O-N 3.22Å; L42-L44 VanDerWaalsContact O-N 3.17Å; L42-Y74 HydrophobicContact CD1-CD1 4.34Å; L42-Y74 HydrophobicContact CD1-CE1 3.3Å; L42-Y74 VanDerWaalsContact CD1-OH 3.28Å; L42-Y74 WeakPolarHBondContact CD1-OH 3.41Å; L42-Y74 HydrophobicContact CD2-CD1 4.04Å; L42-Y74 HydrophobicContact CD2-CD2 4.47Å; L42-Y74 HydrophobicContact CD2-CE1 3.35Å; L42-Y74 HydrophobicContact CD2-CE2 3.8Å; L42-Y74 WeakPolarHBondContact CD2-OH 3.1Å; L42-Y74 HydrophobicContact CG-CE1 3.82Å; L42-F76 HydrophobicContact CD1-CE2 4.28Å; L42-T120 HydrophobicContact CD1-CG2 4.4Å
43	H	28.5	Very low	31.7	Very low	123 Å²	123	77.5 Å²	77.5	57%	0.569	44%	0.439	S	S	*	.			trans	-78.8	93.8	177.8	-65	-84.6	0	0	0	110.1	T41	T41-H43 PolarHBondContact O-CD2 2.79Å; T41-H43 VanDerWaalsContact O-CD2 3.25Å; T41-H43 PolarHBondContact O-N 3.13Å
44	L	30.7	Very low	31.9	Very low	26 Å²	26	78 Å²	78	14%	0.136	44%	0.439	C	S	.	.			trans	-67.1	129.5	157.5	-69.7	-175	0	0	0	107.5	L8 V31 L42 C46 V72 Y74	L8-L44 HydrophobicContact CD1-CD1 4.33Å; V31-L44 HydrophobicContact CG2-CB 3.9Å; V31-L44 HydrophobicContact CG2-CD1 3.19Å; V31-L44 HydrophobicContact CG2-CG 3.54Å; L42-L44 HydrophobicContact CD2-CD2 4.21Å; L42-L44 HydrophobicContact CD2-CG 4.49Å; L42-L44 PolarHBondContact O-N 3.22Å; L42-L44 VanDerWaalsContact O-N 3.17Å; L44-C46 PolarHBondContact O-N 2.74Å; L44-V72 HydrophobicContact CD1-CG1 3.91Å; L44-V72 HydrophobicContact CD2-CG1 3.86Å; L44-Y74 HydrophobicContact CD2-CD2 3.96Å; L44-Y74 HydrophobicContact CD2-CE2 3.97Å
45	P	30.5	Very low	32.1	Very low	45 Å²	45	76 Å²	76	29%	0.292	43%	0.43	S	S	.	.			trans	-49.7	133.7	170.5	-22.2	27.9	0	0	0	109.8	E47 T48 R75	P45-E47 PolarHBondContact O-N 2.78Å; P45-T48 HydrophobicContact CB-CG2 4.15Å; P45-T48 VanDerWaalsContact CD-OG1 3.27Å; P45-T48 WeakPolarHBondContact CD-OG1 3.18Å; P45-T48 HydrophobicContact CG-CG2 3.96Å; P45-T48 PolarHBondContact O-N 3.34Å; P45-T48 PolarHBondContact O-OG1 3.03Å; P45-R75 HydrophobicContact CG-CB 4.43Å
46	C	29.6	Very low	32.1	Very low	141 Å²	141	71.3 Å²	71.3	95%	0.953	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-13.2	177.3	-71.3	0	0	0	0	113.7	L44	L44-C46 PolarHBondContact O-N 2.74Å
47	E	31.9	Very low	32.4	Very low	176 Å²	176	70 Å²	70	82%	0.822	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	2.6	-179.4	-59.2	-176.8	170.4	0	0	114.4	P45 D49	P45-E47 PolarHBondContact O-N 2.78Å; E47-D49 VanDerWaalsContact C-N 3.3Å; E47-D49 PolarHBondContact O-N 3.41Å
48	T	35	Very low	32.7	Very low	29 Å²	29	66.5 Å²	66.5	18%	0.178	40%	0.396	C	S	.	.			trans	-81.6	80.4	175.4	31.1	0	0	0	0	110.7	P45 P50 R73	P45-T48 HydrophobicContact CB-CG2 4.15Å; P45-T48 VanDerWaalsContact CD-OG1 3.27Å; P45-T48 WeakPolarHBondContact CD-OG1 3.18Å; P45-T48 HydrophobicContact CG-CG2 3.96Å; P45-T48 PolarHBondContact O-N 3.34Å; P45-T48 PolarHBondContact O-OG1 3.03Å; T48-P50 WeakPolarHBondContact O-CD 3.44Å; T48-R73 HydrophobicContact CG2-CB 3.66Å; T48-R73 HydrophobicContact CG2-CG 4.5Å
49	D	36.6	Very low	33	Very low	45 Å²	45	69.6 Å²	69.6	24%	0.241	40%	0.402	C	S	.	.			trans	-60.6	113.1	164.6	-72.8	-46.4	0	0	0	108.6	R26 E47 I51	R26-D49 HydrophobicContact CB-CB 4.03Å; R26-D49 WeakPolarHBondContact CD-OD2 3.32Å; R26-D49 HydrophobicContact CG-CB 3.88Å; R26-D49 VanDerWaalsContact CG-OD2 3.24Å; R26-D49 WeakPolarHBondContact CG-OD2 3.49Å; R26-D49 IonicContact CZ-OD2 3.63Å; R26-D49 IonicContact NE-OD2 3.32Å; R26-D49 PolarHBondContact NE-OD2 2.89Å; R26-D49 IonicContact NH1-OD2 3.61Å; E47-D49 VanDerWaalsContact C-N 3.3Å; E47-D49 PolarHBondContact O-N 3.41Å; D49-I51 PolarHBondContact O-N 2.85Å
50	P	41.9	Very low	33.4	Very low	3 Å²	3	68.3 Å²	68.3	2%	0.019	40%	0.399	C	S	.	.			trans	-60.7	127.5	168.6	6.1	1.3	0	0	0	109.2	L8 L27 T29 T48 L70 N71	L8-P50 HydrophobicContact CD2-CG 4.27Å; L27-P50 HydrophobicContact CB-CB 4.32Å; L27-P50 HydrophobicContact CB-CG 3.65Å; L27-P50 HydrophobicContact CD1-CB 3.87Å; L27-P50 HydrophobicContact CD1-CG 3.94Å; L27-P50 HydrophobicContact CG-CG 4.48Å; L27-P50 WeakPolarHBondContact O-CD 3.2Å; T29-P50 HydrophobicContact CG2-CG 3.62Å; T29-P50 WeakPolarHBondContact OG1-CD 3.49Å; T29-P50 VanDerWaalsContact OG1-CG 3.31Å; T29-P50 WeakPolarHBondContact OG1-CG 3.04Å; T48-P50 WeakPolarHBondContact O-CD 3.44Å; P50-L70 HydrophobicContact CB-CD1 3.61Å; P50-L70 HydrophobicContact CB-CG 4.06Å; P50-L70 HydrophobicContact CG-CD1 4.46Å; P50-N71 WeakPolarHBondContact CA-O 3.45Å
51	I	40.6	Very low	33.8	Very low	79 Å²	79	72.6 Å²	72.6	41%	0.405	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.6	177	-57	173.8	0	0	0	107	T24 D49 G53 N71	T24-I51 HydrophobicContact CG2-CG2 4.32Å; D49-I51 PolarHBondContact O-N 2.85Å; I51-G53 PolarHBondContact O-N 3.36Å; I51-N71 PolarHBondContact O-N 2.91Å; I51-N71 VanDerWaalsContact O-N 3.15Å
52	V	40.6	Very low	34	Very low	6 Å²	6	78.8 Å²	78.8	4%	0.036	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	102.6	168.7	-173.1	0	0	0	0	108.2	A18 L27 Y68 R69 L70 F102	A18-V52 HydrophobicContact CB-CB 3.62Å; A18-V52 HydrophobicContact CB-CG1 3.64Å; A18-V52 HydrophobicContact CB-CG2 3.92Å; L27-V52 HydrophobicContact CD1-CG2 3.31Å; L27-V52 HydrophobicContact CD2-CG2 4.48Å; L27-V52 HydrophobicContact CG-CG2 3.99Å; V52-Y68 HydrophobicContact CG1-CD1 3.7Å; V52-Y68 HydrophobicContact CG1-CG 4.29Å; V52-R69 WeakPolarHBondContact CA-O 3.21Å; V52-L70 HydrophobicContact CG2-CD1 4.27Å; V52-F102 HydrophobicContact CG1-CZ 4.2Å
53	G	36.7	Very low	34	Very low	28 Å²	28	85.1 Å²	85.1	29%	0.289	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	147.1	168.8	0	0	0	0	0	111.2	I51 G55 Y68 R69	I51-G53 PolarHBondContact O-N 3.36Å; G53-G55 PolarHBondContact O-N 3.02Å; G53-Y68 WeakPolarHBondContact O-CA 3.41Å; G53-R69 PolarHBondContact N-O 3.26Å; G53-R69 PolarHBondContact O-N 3.34Å
54	H	36.8	Very low	34.2	Very low	95 Å²	95	84.1 Å²	84.1	44%	0.44	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	116.2	162.8	-85.5	-70.8	0	0	0	109	Y68	H54-Y68 AromaticContact CE1-CE1 3.94Å; H54-Y68 AromaticContact ND1-CE1 3.96Å
55	G	36.6	Very low	34.4	Very low	18 Å²	18	83.8 Å²	83.8	19%	0.186	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-72.7	152	161.8	0	0	0	0	0	109.6	G53 A57 R67	G53-G55 PolarHBondContact O-N 3.02Å; G55-A57 PolarHBondContact O-N 3.37Å; G55-R67 CarbonylContact C-O 3.52Å; G55-R67 WeakPolarHBondContact CA-O 3.42Å; G55-R67 PolarHBondContact N-O 3.33Å
56	S	32.7	Very low	34.6	Very low	105 Å²	105	86 Å²	86	73%	0.734	46%	0.463	S	S	*	.			trans	-55.2	115	174.1	20.5	0	0	0	0	109.6	S58	S56-S58 PolarHBondContact O-N 2.99Å; S56-S58 VanDerWaalsContact O-N 3.15Å
57	A	32.4	Very low	35.1	Very low	62 Å²	62	85.3 Å²	85.3	51%	0.512	44%	0.44	S	S	.	.			trans	-57.1	118.6	177.1	0	0	0	0	0	108.8	G55 K59	G55-A57 PolarHBondContact O-N 3.37Å; A57-K59 PolarHBondContact O-N 2.86Å
58	S	33.9	Very low	35.6	Very low	52 Å²	52	77.1 Å²	77.1	36%	0.364	40%	0.402	S	S	.	.			trans	-75.7	111	166.6	60.6	0	0	0	0	106.9	S56 S60 S65	S56-S58 PolarHBondContact O-N 2.99Å; S56-S58 VanDerWaalsContact O-N 3.15Å; S58-S60 PolarHBondContact O-N 3.33Å; S58-S65 PolarHBondContact O-OG 3.31Å; S58-S65 PolarHBondContact OG-OG 2.9Å
59	K	32.2	Very low	35.9	Very low	210 Å²	210	80.6 Å²	80.6	91%	0.913	41%	0.412	S	S	*	.			trans	-64.4	84.4	169.6	-76.4	-174	176.6	-177.6	0	108.9	A57	A57-K59 PolarHBondContact O-N 2.86Å
60	S	32.5	Very low	36.4	Very low	51 Å²	51	78.6 Å²	78.6	36%	0.357	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-90.5	123.7	165.1	178.9	0	0	0	0	107.7	S58 R62 Y63	S58-S60 PolarHBondContact O-N 3.33Å; S60-R62 PolarHBondContact O-N 2.88Å; S60-R62 VanDerWaalsContact O-N 3.08Å; S60-Y63 PolarHBondContact O-N 3.24Å
61	P	32.5	Very low	36.5	Very low	135 Å²	135	80.3 Å²	80.3	88%	0.877	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-5.9	178.5	25.1	-31.5	0	0	0	113.7
62	R	32.5	Very low	36.7	Very low	212 Å²	212	76.8 Å²	76.8	80%	0.8	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-20.3	179.2	-73.9	-176.4	175.6	172.9	-1.7	114.3	S60	S60-R62 PolarHBondContact O-N 2.88Å; S60-R62 VanDerWaalsContact O-N 3.08Å
63	Y	29	Very low	36.7	Very low	147 Å²	147	83.5 Å²	83.5	58%	0.576	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-152.7	133.7	-176.5	-54.5	-76.4	0	0	0	109.7	S60 S65 V105	S60-Y63 PolarHBondContact O-N 3.24Å; Y63-S65 PolarHBondContact O-N 3.24Å; Y63-V105 HydrophobicContact CD1-CG1 4.01Å; Y63-V105 HydrophobicContact CG-CG1 4.41Å
64	D	32.8	Very low	36.9	Very low	102 Å²	102	83 Å²	83	55%	0.545	41%	0.406	S	S	.	.			trans	-73.2	71.4	167.6	-167.8	13.7	0	0	0	108.8	R66	D64-R66 PolarHBondContact O-N 3.01Å; D64-R66 IonicContact OD2-NE 3.85Å; D64-R66 IonicContact OD2-NH2 3.82Å
65	S	34.4	Very low	36.8	Very low	18 Å²	18	84.6 Å²	84.6	13%	0.126	41%	0.408	C	S	.	.			trans	-82.4	96.7	-179	65.7	0	0	0	0	109.2	S58 Y63	S58-S65 PolarHBondContact O-OG 3.31Å; S58-S65 PolarHBondContact OG-OG 2.9Å; Y63-S65 PolarHBondContact O-N 3.24Å
66	R	36.4	Very low	36.7	Very low	92 Å²	92	87.7 Å²	87.7	35%	0.347	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.1	167.2	-62.2	-174.3	-170.4	-175.7	0.7	108.5	D64 Y68 I104 H107	D64-R66 PolarHBondContact O-N 3.01Å; D64-R66 IonicContact OD2-NE 3.85Å; D64-R66 IonicContact OD2-NH2 3.82Å; R66-Y68 HydrophobicContact CB-CD2 4.46Å; R66-Y68 HydrophobicContact CB-CE2 3.55Å; R66-Y68 WeakPolarHBondContact CD-OH 3.42Å; R66-Y68 VanDerWaalsContact O-CD2 3.32Å; R66-Y68 WeakPolarHBondContact O-CD2 3.39Å; R66-Y68 WeakPolarHBondContact O-CE2 3.44Å; R66-I104 PolarHBondContact O-N 3.3Å; R66-H107 VanDerWaalsContact CD-NE2 3.33Å; R66-H107 WeakPolarHBondContact CD-NE2 3.31Å; R66-H107 WeakPolarHBondContact CG-NE2 3.41Å
67	R	38.4	Very low	36.7	Very low	127 Å²	127	86.3 Å²	86.3	48%	0.479	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.3	169.8	-77.4	-177.4	164.8	-172.9	-6.2	107.8	G55	G55-R67 CarbonylContact C-O 3.52Å; G55-R67 WeakPolarHBondContact CA-O 3.42Å; G55-R67 PolarHBondContact N-O 3.33Å
68	Y	42.8	Very low	36.6	Very low	3 Å²	3	84.6 Å²	84.6	1%	0.012	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.3	173.3	-65.8	-83.8	0	0	0	107.8	L19 V52 G53 H54 R66 F102 I104 H107	L19-Y68 HydrophobicContact CD2-CD2 4.43Å; L19-Y68 HydrophobicContact CD2-CE1 3.93Å; L19-Y68 HydrophobicContact CD2-CE2 3.53Å; L19-Y68 WeakPolarHBondContact CD2-OH 3.47Å; V52-Y68 HydrophobicContact CG1-CD1 3.7Å; V52-Y68 HydrophobicContact CG1-CG 4.29Å; G53-Y68 WeakPolarHBondContact O-CA 3.41Å; H54-Y68 AromaticContact CE1-CE1 3.94Å; H54-Y68 AromaticContact ND1-CE1 3.96Å; R66-Y68 HydrophobicContact CB-CD2 4.46Å; R66-Y68 HydrophobicContact CB-CE2 3.55Å; R66-Y68 WeakPolarHBondContact CD-OH 3.42Å; R66-Y68 VanDerWaalsContact O-CD2 3.32Å; R66-Y68 WeakPolarHBondContact O-CD2 3.39Å; R66-Y68 WeakPolarHBondContact O-CE2 3.44Å; Y68-F102 VanDerWaalsContact CB-CE2 3.46Å; Y68-F102 HydrophobicContact CD2-CE2 4.17Å; Y68-F102 AromaticContact CG-CE2 3.99Å; Y68-F102 HydrophobicContact CG-CE2 3.99Å; Y68-F102 HydrophobicContact CG-CZ 4.07Å; Y68-F102 PolarHBondContact N-O 3.26Å; Y68-F102 WeakPolarHBondContact O-CD1 3.46Å; Y68-F102 PolarHBondContact O-N 2.88Å; Y68-F102 VanDerWaalsContact O-O 3.06Å; Y68-I104 HydrophobicContact CD2-CB 4.31Å; Y68-I104 HydrophobicContact CD2-CD1 4.03Å; Y68-I104 HydrophobicContact CD2-CG1 4.12Å; Y68-I104 HydrophobicContact CE2-CB 4.09Å; Y68-I104 HydrophobicContact CE2-CD1 4.11Å; Y68-I104 HydrophobicContact CE2-CG1 4.3Å; Y68-H107 AromaticContact CE2-CE1 3.91Å; Y68-H107 AromaticContact CZ-CE1 3.96Å; Y68-H107 PolarHBondContact OH-CE1 3.15Å
69	R	42	Very low	36.4	Very low	103 Å²	103	88.2 Å²	88.2	39%	0.389	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.3	175.7	178	168.7	-78.1	179.9	-5.2	108	V52 G53 D101	V52-R69 WeakPolarHBondContact CA-O 3.21Å; G53-R69 PolarHBondContact N-O 3.26Å; G53-R69 PolarHBondContact O-N 3.34Å; R69-D101 IonicContact CZ-OD1 3.53Å; R69-D101 IonicContact NE-OD1 2.8Å; R69-D101 PolarHBondContact NE-OD1 2.91Å; R69-D101 IonicContact NH2-OD1 3.36Å; R69-D101 PolarHBondContact NH2-OD1 3.01Å; R69-D101 IonicContact NH2-OD2 3.34Å; R69-D101 PolarHBondContact NH2-OD2 3.26Å
70	L	46.5	Very low	36.2	Very low	3 Å²	3	87.1 Å²	87.1	2%	0.016	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.6	167.6	-166.8	78	0	0	0	107.9	L8 L27 P50 V52 V72 C100 F102	L8-L70 HydrophobicContact CD1-CD2 4.41Å; L8-L70 HydrophobicContact CD2-CD1 4.31Å; L8-L70 HydrophobicContact CD2-CD2 3.49Å; L8-L70 VanDerWaalsContact CD2-CD2 3.49Å; L8-L70 HydrophobicContact CD2-CG 4.47Å; L8-L70 HydrophobicContact CG-CD2 4.41Å; L27-L70 HydrophobicContact CD1-CD1 3.46Å; L27-L70 VanDerWaalsContact CD1-CD1 3.46Å; P50-L70 HydrophobicContact CB-CD1 3.61Å; P50-L70 HydrophobicContact CB-CG 4.06Å; P50-L70 HydrophobicContact CG-CD1 4.46Å; V52-L70 HydrophobicContact CG2-CD1 4.27Å; L70-V72 HydrophobicContact CD2-CG2 3.45Å; L70-V72 VanDerWaalsContact CD2-CG2 3.45Å; L70-V72 HydrophobicContact CG-CG2 3.81Å; L70-C100 HydrophobicContact CB-CB 4.31Å; L70-C100 PolarHBondContact N-O 3.1Å; L70-C100 PolarHBondContact O-N 3.08Å; L70-F102 HydrophobicContact CB-CD1 4.15Å; L70-F102 HydrophobicContact CB-CE1 3.81Å
71	N	44.2	Very low	36.2	Very low	39 Å²	39	95.8 Å²	95.8	21%	0.209	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111	166.3	-170.5	-0.1	0	0	0	109.2	P50 I51 D97	P50-N71 WeakPolarHBondContact CA-O 3.45Å; I51-N71 PolarHBondContact O-N 2.91Å; I51-N71 VanDerWaalsContact O-N 3.15Å; N71-D97 PolarHBondContact ND2-OD2 3.18Å; N71-D97 WeakPolarHBondContact OD1-CB 2.99Å; N71-D97 PolarHBondContact OD1-OD2 3.04Å
72	V	45.3	Very low	36.1	Very low	4 Å²	4	91.5 Å²	91.5	2%	0.024	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	102	171.8	-171.3	0	0	0	0	107.2	L8 L44 L70 Y74 C98	L8-V72 HydrophobicContact CD1-CG1 4.12Å; L8-V72 HydrophobicContact CD1-CG2 3.82Å; L44-V72 HydrophobicContact CD1-CG1 3.91Å; L44-V72 HydrophobicContact CD2-CG1 3.86Å; L70-V72 HydrophobicContact CD2-CG2 3.45Å; L70-V72 VanDerWaalsContact CD2-CG2 3.45Å; L70-V72 HydrophobicContact CG-CG2 3.81Å; V72-Y74 HydrophobicContact CG1-CD2 3.97Å; V72-Y74 HydrophobicContact CG1-CE2 4.14Å; V72-Y74 PolarHBondContact O-N 3.37Å; V72-C98 PolarHBondContact N-O 3.5Å; V72-C98 PolarHBondContact O-N 3.43Å
73	R	40.2	Very low	36.2	Very low	148 Å²	148	91.1 Å²	91.1	56%	0.558	41%	0.408	S	S	*	.			trans	-63.3	109.8	174.2	-69.7	-167.1	169.6	169	-0.4	108.7	T48 D97	T48-R73 HydrophobicContact CG2-CB 3.66Å; T48-R73 HydrophobicContact CG2-CG 4.5Å; R73-D97 WeakPolarHBondContact CG-OD1 3.42Å
74	Y	40.6	Very low	36.6	Very low	16 Å²	16	91.5 Å²	91.5	6%	0.063	42%	0.419	C	S	.	.			trans	-93.2	120.9	179.9	-118	-117.2	0	0	0	108.5	H6 L42 L44 V72 A95 C98 F118 T120	H6-Y74 PolarHBondContact CD2-OH 3.32Å; L42-Y74 HydrophobicContact CD1-CD1 4.34Å; L42-Y74 HydrophobicContact CD1-CE1 3.3Å; L42-Y74 VanDerWaalsContact CD1-OH 3.28Å; L42-Y74 WeakPolarHBondContact CD1-OH 3.41Å; L42-Y74 HydrophobicContact CD2-CD1 4.04Å; L42-Y74 HydrophobicContact CD2-CD2 4.47Å; L42-Y74 HydrophobicContact CD2-CE1 3.35Å; L42-Y74 HydrophobicContact CD2-CE2 3.8Å; L42-Y74 WeakPolarHBondContact CD2-OH 3.1Å; L42-Y74 HydrophobicContact CG-CE1 3.82Å; L44-Y74 HydrophobicContact CD2-CD2 3.96Å; L44-Y74 HydrophobicContact CD2-CE2 3.97Å; V72-Y74 HydrophobicContact CG1-CD2 3.97Å; V72-Y74 HydrophobicContact CG1-CE2 4.14Å; V72-Y74 PolarHBondContact O-N 3.37Å; Y74-A95 WeakPolarHBondContact O-CB 3.34Å; Y74-C98 HydrophobicContact CD2-CB 4.08Å; Y74-C98 HydrophobicContact CG-CB 4.41Å; Y74-F118 AromaticContact CE2-CE2 3.59Å; Y74-F118 HydrophobicContact CE2-CE2 3.59Å; Y74-F118 HydrophobicContact CE2-CZ 4.05Å; Y74-F118 AromaticContact CZ-CE2 3.78Å; Y74-F118 VanDerWaalsContact OH-CE2 3.3Å; Y74-F118 WeakPolarHBondContact OH-CE2 3.28Å; Y74-T120 HydrophobicContact CE1-CG2 3.43Å; Y74-T120 VanDerWaalsContact CE1-CG2 3.43Å; Y74-T120 HydrophobicContact CE2-CG2 4.41Å; Y74-T120 WeakPolarHBondContact OH-CG2 3.27Å
75	R	34.6	Very low	36.6	Very low	129 Å²	129	91.5 Å²	91.5	49%	0.487	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.1	168	-78	-173.5	164.2	166.1	1.9	108.5	P45 A77 D94	P45-R75 HydrophobicContact CG-CB 4.43Å; R75-A77 PolarHBondContact O-N 3.37Å; R75-D94 IonicContact CZ-OD1 3.63Å; R75-D94 IonicContact NE-OD1 2.92Å; R75-D94 PolarHBondContact NE-OD1 3.46Å; R75-D94 IonicContact NH2-OD1 3.57Å
76	F	35.5	Very low	36.5	Very low	83 Å²	83	95.6 Å²	95.6	36%	0.364	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103.2	177	-139.2	-89.2	0	0	0	107.7	L42 G78 F93 A95	L42-F76 HydrophobicContact CD1-CE2 4.28Å; F76-G78 PolarHBondContact O-N 3.36Å; F76-F93 PolarHBondContact N-O 3.47Å; F76-A95 HydrophobicContact CB-CB 4.47Å
77	A	31	Very low	36.4	Very low	76 Å²	76	97.1 Å²	97.1	63%	0.628	47%	0.47	S	S	*	.			trans	-86.7	71.7	163.5	0	0	0	0	0	108.1	R75	R75-A77 PolarHBondContact O-N 3.37Å
78	G	30.8	Very low	36.4	Very low	26 Å²	26	96.6 Å²	96.6	27%	0.268	48%	0.483	S	S	.	.			trans	-92.8	120.5	175.2	0	0	0	0	0	110.6	F76 Y80	F76-G78 PolarHBondContact O-N 3.36Å; G78-Y80 PolarHBondContact O-N 2.8Å
79	E	28.9	Very low	36.1	Very low	128 Å²	128	103 Å²	103	60%	0.598	52%	0.517	S	S	*	.			trans	-69.7	108.5	159.5	-86.5	179.7	177.1	0	0	107.9	R81 R90	E79-R81 VanDerWaalsContact C-N 3.32Å; E79-R81 PolarHBondContact O-N 2.85Å; E79-R90 IonicContact OE1-CZ 3.42Å; E79-R90 IonicContact OE1-NE 3.1Å; E79-R90 PolarHBondContact OE1-NE 2.83Å; E79-R90 VanDerWaalsContact OE1-NE 3.1Å; E79-R90 IonicContact OE1-NH2 2.86Å; E79-R90 PolarHBondContact OE1-NH2 2.92Å
80	Y	30	Very low	35.8	Very low	187 Å²	187	107.5 Å²	107.5	73%	0.733	53%	0.534	S	S	*	.			trans	-64.6	99.5	161.9	-105.3	-92.8	0	0	0	107.2	G78 S82 F93	G78-Y80 PolarHBondContact O-N 2.8Å; Y80-S82 PolarHBondContact O-N 3.23Å; Y80-F93 HydrophobicContact CD2-CE2 4.4Å
81	R	31.6	Very low	35.3	Very low	233 Å²	233	111.2 Å²	111.2	88%	0.879	56%	0.558	S	S	*	*			trans	-71.1	55.8	158.4	-76.2	-173	172.8	-172.8	-0.8	109.4	E79 Q83	E79-R81 VanDerWaalsContact C-N 3.32Å; E79-R81 PolarHBondContact O-N 2.85Å; R81-Q83 PolarHBondContact O-N 2.86Å
82	S	31	Very low	34.9	Very low	46 Å²	46	114.2 Å²	114.2	32%	0.322	58%	0.577	S	S	.	*			trans	-77.5	114.5	159.3	63.8	0	0	0	0	106.4	Y80 I84 V85	Y80-S82 PolarHBondContact O-N 3.23Å; S82-I84 PolarHBondContact O-N 3.21Å; S82-V85 PolarHBondContact O-N 3.15Å
83	Q	34.7	Very low	34.3	Very low	204 Å²	204	119.2 Å²	119.2	95%	0.953	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	15	174.4	-69.7	179.3	-13	0	0	114.1	R81	R81-Q83 PolarHBondContact O-N 2.86Å
84	I	37.7	Very low	34.2	Very low	155 Å²	155	117.8 Å²	117.8	80%	0.795	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-6.1	-173.2	-54.1	177	0	0	0	111.5	S82	S82-I84 PolarHBondContact O-N 3.21Å
85	V	31.6	Very low	34.1	Very low	101 Å²	101	118.1 Å²	118.1	61%	0.612	61%	0.609	S	S	*	*	S	Bend	trans	-128.3	115.5	177.8	-170.4	0	0	0	0	110.3	S82	S82-V85 PolarHBondContact O-N 3.15Å
86	P	31.9	Very low	34.3	Very low	104 Å²	104	116.3 Å²	116.3	68%	0.675	61%	0.613	S	S	*	*			trans	-68	142.7	175.6	26.5	-30	0	0	0	110.3
87	P	34.7	Very low	34.6	Very low	125 Å²	125	115.8 Å²	115.8	81%	0.812	61%	0.614	S	S	*	*	S	Bend	trans	-73.4	128.1	-175.5	30.4	-31.3	0	0	0	109.8
88	P	38.6	Very low	35.2	Very low	116 Å²	116	112.6 Å²	112.6	75%	0.753	59%	0.587	S	S	*	*	S	Bend		-135.8	5.3	94.2	35.5	-22.6	0	0	0	114.8	R90	P88-R90 PolarHBondContact O-N 2.86Å; P88-R90 VanDerWaalsContact O-N 3.15Å
89	N	35.7	Very low	35.7	Very low	136 Å²	136	115.6 Å²	115.6	73%	0.727	60%	0.595	S	S	*	*			trans	-92.1	82.1	-174.2	-70.7	-19.7	0	0	0	111.9	T91	N89-T91 VanDerWaalsContact C-N 3.26Å; N89-T91 PolarHBondContact O-N 2.8Å
90	R	36.7	Very low	36.4	Very low	198 Å²	198	110.1 Å²	110.1	75%	0.747	57%	0.571	S	S	*	*			trans	-63.5	89.3	159.9	-77.6	-178.7	170.6	171.9	-1.9	108.8	E79 P88 V92	E79-R90 IonicContact OE1-CZ 3.42Å; E79-R90 IonicContact OE1-NE 3.1Å; E79-R90 PolarHBondContact OE1-NE 2.83Å; E79-R90 VanDerWaalsContact OE1-NE 3.1Å; E79-R90 IonicContact OE1-NH2 2.86Å; E79-R90 PolarHBondContact OE1-NH2 2.92Å; P88-R90 PolarHBondContact O-N 2.86Å; P88-R90 VanDerWaalsContact O-N 3.15Å; R90-V92 PolarHBondContact O-N 2.96Å; R90-V92 VanDerWaalsContact O-N 3.13Å
91	T	35.7	Very low	37	Very low	82 Å²	82	104 Å²	104	50%	0.503	55%	0.551	S	S	.	*			trans	-71.5	103.9	169.3	34.6	0	0	0	0	109.1	N89 F93	N89-T91 VanDerWaalsContact C-N 3.26Å; N89-T91 PolarHBondContact O-N 2.8Å; T91-F93 VanDerWaalsContact O-CD2 3.27Å; T91-F93 WeakPolarHBondContact O-CD2 3.3Å; T91-F93 WeakPolarHBondContact O-CE2 3.45Å; T91-F93 PolarHBondContact O-N 3.22Å; T91-F93 WeakPolarHBondContact OG1-CE2 3.46Å
92	V	35.9	Very low	37.5	Very low	102 Å²	102	94.2 Å²	94.2	62%	0.618	52%	0.515	S	S	*	.			trans	-70.4	120.6	166.1	-179.4	0	0	0	0	107.4	R90	R90-V92 PolarHBondContact O-N 2.96Å; R90-V92 VanDerWaalsContact O-N 3.13Å
93	F	33.8	Very low	37.9	Very low	108 Å²	108	94.9 Å²	94.9	47%	0.474	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.2	173.8	-65	-83.5	0	0	0	108.9	F76 Y80 T91 A95	F76-F93 PolarHBondContact N-O 3.47Å; Y80-F93 HydrophobicContact CD2-CE2 4.4Å; T91-F93 VanDerWaalsContact O-CD2 3.27Å; T91-F93 WeakPolarHBondContact O-CD2 3.3Å; T91-F93 WeakPolarHBondContact O-CE2 3.45Å; T91-F93 PolarHBondContact O-N 3.22Å; T91-F93 WeakPolarHBondContact OG1-CE2 3.46Å; F93-A95 PolarHBondContact O-N 3.05Å; F93-A95 VanDerWaalsContact O-N 3.12Å
94	D	36.4	Very low	38.1	Very low	118 Å²	118	86.5 Å²	86.5	63%	0.631	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	108.9	163.5	-78.7	-38.8	0	0	0	107.4	R75	R75-D94 IonicContact CZ-OD1 3.63Å; R75-D94 IonicContact NE-OD1 2.92Å; R75-D94 PolarHBondContact NE-OD1 3.46Å; R75-D94 IonicContact NH2-OD1 3.57Å
95	A	39.2	Very low	38	Very low	24 Å²	24	82.1 Å²	82.1	20%	0.198	46%	0.461	C	S	.	.			trans	-76.7	148.9	171.1	0	0	0	0	0	108.6	Y74 F76 F93 D97	Y74-A95 WeakPolarHBondContact O-CB 3.34Å; F76-A95 HydrophobicContact CB-CB 4.47Å; F93-A95 PolarHBondContact O-N 3.05Å; F93-A95 VanDerWaalsContact O-N 3.12Å; A95-D97 PolarHBondContact O-N 3.21Å
96	P	39.9	Very low	38.2	Very low	91 Å²	91	80.9 Å²	80.9	59%	0.591	45%	0.452	S	S	*	.			trans	-58.2	133.8	173.4	23.3	-31.5	0	0	0	109.8	C98	P96-C98 PolarHBondContact O-N 3Å
97	D	41.4	Very low	38.5	Very low	71 Å²	71	78.5 Å²	78.5	38%	0.38	43%	0.431	S	S	.	.			trans	-44.7	126.9	176.6	-81	-2.1	0	0	0	111.2	N71 R73 A95 M99	N71-D97 PolarHBondContact ND2-OD2 3.18Å; N71-D97 WeakPolarHBondContact OD1-CB 2.99Å; N71-D97 PolarHBondContact OD1-OD2 3.04Å; R73-D97 WeakPolarHBondContact CG-OD1 3.42Å; A95-D97 PolarHBondContact O-N 3.21Å; D97-M99 PolarHBondContact O-N 3.42Å
98	C	42.6	Very low	38.4	Very low	9 Å²	9	78.5 Å²	78.5	6%	0.061	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	105	174	-169.7	0	0	0	0	108.2	V72 Y74 P96	V72-C98 PolarHBondContact N-O 3.5Å; V72-C98 PolarHBondContact O-N 3.43Å; Y74-C98 HydrophobicContact CD2-CB 4.08Å; Y74-C98 HydrophobicContact CG-CB 4.41Å; P96-C98 PolarHBondContact O-N 3Å
99	M	40.9	Very low	38.4	Very low	89 Å²	89	75.6 Å²	75.6	44%	0.438	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.8	173.8	-63.2	-166.2	-56.2	0	0	109.9	D97 C139	D97-M99 PolarHBondContact O-N 3.42Å; M99-C139 PolarHBondContact O-SG 3.3Å; M99-C139 VanDerWaalsContact O-SG 3.37Å
100	C	44.1	Very low	38.5	Very low	13 Å²	13	70.2 Å²	70.2	9%	0.088	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.4	172.2	-64.8	0	0	0	0	109.7	L70 C139	L70-C100 HydrophobicContact CB-CB 4.31Å; L70-C100 PolarHBondContact N-O 3.1Å; L70-C100 PolarHBondContact O-N 3.08Å; C100-C139 HydrophobicContact CB-CB 4.16Å; C100-C139 WeakPolarHBondContact SG-CB 3.27Å
101	D	42.4	Very low	38.6	Very low	59 Å²	59	64.2 Å²	64.2	32%	0.316	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.1	170.8	-67.7	-27.2	0	0	0	108.5	R69	R69-D101 IonicContact CZ-OD1 3.53Å; R69-D101 IonicContact NE-OD1 2.8Å; R69-D101 PolarHBondContact NE-OD1 2.91Å; R69-D101 IonicContact NH2-OD1 3.36Å; R69-D101 PolarHBondContact NH2-OD1 3.01Å; R69-D101 IonicContact NH2-OD2 3.34Å; R69-D101 PolarHBondContact NH2-OD2 3.26Å
102	F	43.8	Very low	38.7	Very low	27 Å²	27	69.2 Å²	69.2	12%	0.118	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	174.5	65.5	-81.2	0	0	0	110.7	L15 V52 Y68 L70 I104 F116	L15-F102 HydrophobicContact CD2-CE2 4.44Å; L15-F102 HydrophobicContact CD2-CZ 4.39Å; V52-F102 HydrophobicContact CG1-CZ 4.2Å; Y68-F102 VanDerWaalsContact CB-CE2 3.46Å; Y68-F102 HydrophobicContact CD2-CE2 4.17Å; Y68-F102 AromaticContact CG-CE2 3.99Å; Y68-F102 HydrophobicContact CG-CE2 3.99Å; Y68-F102 HydrophobicContact CG-CZ 4.07Å; Y68-F102 PolarHBondContact N-O 3.26Å; Y68-F102 WeakPolarHBondContact O-CD1 3.46Å; Y68-F102 PolarHBondContact O-N 2.88Å; Y68-F102 VanDerWaalsContact O-O 3.06Å; L70-F102 HydrophobicContact CB-CD1 4.15Å; L70-F102 HydrophobicContact CB-CE1 3.81Å; F102-I104 HydrophobicContact CD2-CD1 4.34Å; F102-I104 HydrophobicContact CD2-CG1 4.11Å; F102-I104 HydrophobicContact CE2-CD1 3.84Å; F102-I104 HydrophobicContact CE2-CG1 4.12Å; F102-F116 HydrophobicContact CB-CD1 4.43Å; F102-F116 HydrophobicContact CB-CE1 4.18Å; F102-F116 HydrophobicContact CD1-CE1 4.42Å; F102-F116 HydrophobicContact CD2-CD1 4.42Å; F102-F116 AromaticContact CD2-CE1 3.47Å; F102-F116 HydrophobicContact CD2-CE1 3.47Å; F102-F116 VanDerWaalsContact CD2-CE1 3.47Å; F102-F116 AromaticContact CD2-CZ 3.87Å; F102-F116 HydrophobicContact CD2-CZ 3.87Å; F102-F116 AromaticContact CE2-CE1 3.85Å; F102-F116 HydrophobicContact CE2-CE1 3.85Å; F102-F116 AromaticContact CE2-CZ 3.73Å; F102-F116 HydrophobicContact CE2-CZ 3.73Å; F102-F116 HydrophobicContact CG-CD1 4.31Å; F102-F116 AromaticContact CG-CE1 3.78Å; F102-F116 HydrophobicContact CG-CE1 3.78Å; F102-F116 HydrophobicContact CG-CZ 4.46Å; F102-F116 HydrophobicContact CZ-CE1 4.48Å; F102-F116 HydrophobicContact CZ-CZ 4.24Å
103	S	37.9	Very low	38.7	Very low	61 Å²	61	71.2 Å²	71.2	43%	0.427	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.9	179	50.1	0	0	0	0	109.8
104	I	39.2	Very low	38.9	Very low	27 Å²	27	67.3 Å²	67.3	14%	0.138	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.1	171.2	-64.4	174.6	0	0	0	106.7	L19 R66 Y68 F102 D106	L19-I104 HydrophobicContact CD1-CD1 4.11Å; L19-I104 HydrophobicContact CD2-CB 4.5Å; L19-I104 HydrophobicContact CD2-CD1 3.54Å; L19-I104 HydrophobicContact CD2-CG2 4.48Å; L19-I104 HydrophobicContact CG-CD1 4.18Å; R66-I104 PolarHBondContact O-N 3.3Å; Y68-I104 HydrophobicContact CD2-CB 4.31Å; Y68-I104 HydrophobicContact CD2-CD1 4.03Å; Y68-I104 HydrophobicContact CD2-CG1 4.12Å; Y68-I104 HydrophobicContact CE2-CB 4.09Å; Y68-I104 HydrophobicContact CE2-CD1 4.11Å; Y68-I104 HydrophobicContact CE2-CG1 4.3Å; F102-I104 HydrophobicContact CD2-CD1 4.34Å; F102-I104 HydrophobicContact CD2-CG1 4.11Å; F102-I104 HydrophobicContact CE2-CD1 3.84Å; F102-I104 HydrophobicContact CE2-CG1 4.12Å; I104-D106 WeakPolarHBondContact CG2-O 3.42Å
105	V	35.1	Very low	38.8	Very low	63 Å²	63	61.9 Å²	61.9	38%	0.382	35%	0.351	S	S	.	.	S	Bend	trans	-87.6	-21.5	-175.8	-177.5	0	0	0	0	111.5	Y63	Y63-V105 HydrophobicContact CD1-CG1 4.01Å; Y63-V105 HydrophobicContact CG-CG1 4.41Å
106	D	36.5	Very low	38.9	Very low	76 Å²	76	62.2 Å²	62.2	41%	0.406	35%	0.349	S	S	.	.			trans	-140.3	119.3	179.6	-166.9	-16.6	0	0	0	110.7	I104 T108	I104-D106 WeakPolarHBondContact CG2-O 3.42Å; D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 WeakPolarHBondContact OD1-CB 3.05Å; D106-T108 PolarHBondContact OD1-N 3.36Å; D106-T108 PolarHBondContact OD1-OG1 2.85Å; D106-T108 PolarHBondContact OD2-OG1 3.47Å
107	H	37.2	Very low	38.6	Very low	54 Å²	54	59.7 Å²	59.7	25%	0.25	33%	0.332	C	S	.	.	S	Bend	trans	-81.5	-12	179.8	-67.6	-60.5	0	0	0	113.5	L19 R66 Y68	L19-H107 VanDerWaalsContact CD2-ND1 3.33Å; L19-H107 WeakPolarHBondContact CD2-ND1 3.33Å; R66-H107 VanDerWaalsContact CD-NE2 3.33Å; R66-H107 WeakPolarHBondContact CD-NE2 3.31Å; R66-H107 WeakPolarHBondContact CG-NE2 3.41Å; Y68-H107 AromaticContact CE2-CE1 3.91Å; Y68-H107 AromaticContact CZ-CE1 3.96Å; Y68-H107 PolarHBondContact OH-CE1 3.15Å
108	T	33.9	Very low	38.6	Very low	125 Å²	125	56.6 Å²	56.6	77%	0.767	32%	0.316	S	S	*	.	S	Bend	trans	-88.4	-16.2	-172.8	65.4	0	0	0	0	113.5	D106	D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 WeakPolarHBondContact OD1-CB 3.05Å; D106-T108 PolarHBondContact OD1-N 3.36Å; D106-T108 PolarHBondContact OD1-OG1 2.85Å; D106-T108 PolarHBondContact OD2-OG1 3.47Å
109	A	37.5	Very low	38.1	Very low	54 Å²	54	59.3 Å²	59.3	45%	0.446	33%	0.329	S	S	.	.			trans	-138.2	83.8	-179	0	0	0	0	0	110.9	P111	A109-P111 VanDerWaalsContact O-CD 3.28Å; A109-P111 WeakPolarHBondContact O-CD 3.2Å
110	V	39.5	Very low	38	Very low	23 Å²	23	56.3 Å²	56.3	14%	0.139	32%	0.316	C	S	.	.			trans	-78.3	114.2	161.7	-174.4	0	0	0	0	107	V12 L15 L19	V12-V110 HydrophobicContact CG1-CB 4.39Å; V12-V110 HydrophobicContact CG1-CG1 4.09Å; L15-V110 HydrophobicContact CB-CG1 4.35Å; L15-V110 HydrophobicContact CD1-CG1 4.22Å; L19-V110 HydrophobicContact CD1-CG2 3.23Å
111	P	37.2	Very low	37.5	Very low	72 Å²	72	60.2 Å²	60.2	47%	0.468	33%	0.331	S	S	.	.			trans	-57.6	144.6	178.9	-21.8	32.6	0	0	0	110.5	A109 N113 T114	A109-P111 VanDerWaalsContact O-CD 3.28Å; A109-P111 WeakPolarHBondContact O-CD 3.2Å; P111-N113 PolarHBondContact O-N 3.14Å; P111-T114 PolarHBondContact O-N 3.12Å; P111-T114 PolarHBondContact O-OG1 3Å
112	K	37.7	Very low	37	Very low	188 Å²	188	60.4 Å²	60.4	82%	0.817	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	2.3	-173.3	-95.8	-175.6	179.8	179.8	0	115.6	V12	V12-K112 VanDerWaalsContact CG2-CA 3.5Å; V12-K112 WeakPolarHBondContact CG2-O 3.24Å
113	N	36.2	Very low	36.4	Very low	144 Å²	144	62.5 Å²	62.5	77%	0.77	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.3	54.9	179.4	-74.3	-47.1	0	0	0	111.9	P111 S115	P111-N113 PolarHBondContact O-N 3.14Å; N113-S115 PolarHBondContact O-N 3.45Å
114	T	37.8	Very low	36.2	Very low	26 Å²	26	63.2 Å²	63.2	16%	0.16	36%	0.362	C	S	.	.			trans	-74.7	112.5	179.7	-32	0	0	0	0	111.2	P111 F116	P111-T114 PolarHBondContact O-N 3.12Å; P111-T114 PolarHBondContact O-OG1 3Å; T114-F116 HydrophobicContact CG2-CZ 4.39Å
115	S	35	Very low	35.7	Very low	3 Å²	3	68.8 Å²	68.8	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.9	172.8	64.9	0	0	0	0	111.2	R7 N113	R7-S115 VanDerWaalsContact CZ-OG 3.24Å; R7-S115 PolarHBondContact NE-OG 3.03Å; R7-S115 PolarHBondContact NH2-OG 3.24Å; N113-S115 PolarHBondContact O-N 3.45Å
116	F	41.6	Very low	35.3	Very low	32 Å²	32	74.9 Å²	74.9	14%	0.14	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.3	174.5	-59.2	-87.5	0	0	0	108.8	L8 A10 L15 F102 T114	L8-F116 HydrophobicContact CB-CB 4.45Å; L8-F116 PolarHBondContact N-O 3.46Å; L8-F116 PolarHBondContact O-N 3.5Å; A10-F116 HydrophobicContact CB-CD2 4.45Å; A10-F116 HydrophobicContact CB-CE2 4.31Å; L15-F116 HydrophobicContact CD1-CE2 3.85Å; L15-F116 HydrophobicContact CD1-CZ 4.22Å; L15-F116 HydrophobicContact CD2-CE2 3.71Å; L15-F116 HydrophobicContact CD2-CZ 3.84Å; L15-F116 HydrophobicContact CG-CE2 4.34Å; F102-F116 HydrophobicContact CB-CD1 4.43Å; F102-F116 HydrophobicContact CB-CE1 4.18Å; F102-F116 HydrophobicContact CD1-CE1 4.42Å; F102-F116 HydrophobicContact CD2-CD1 4.42Å; F102-F116 AromaticContact CD2-CE1 3.47Å; F102-F116 HydrophobicContact CD2-CE1 3.47Å; F102-F116 VanDerWaalsContact CD2-CE1 3.47Å; F102-F116 AromaticContact CD2-CZ 3.87Å; F102-F116 HydrophobicContact CD2-CZ 3.87Å; F102-F116 AromaticContact CE2-CE1 3.85Å; F102-F116 HydrophobicContact CE2-CE1 3.85Å; F102-F116 AromaticContact CE2-CZ 3.73Å; F102-F116 HydrophobicContact CE2-CZ 3.73Å; F102-F116 HydrophobicContact CG-CD1 4.31Å; F102-F116 AromaticContact CG-CE1 3.78Å; F102-F116 HydrophobicContact CG-CE1 3.78Å; F102-F116 HydrophobicContact CG-CZ 4.46Å; F102-F116 HydrophobicContact CZ-CE1 4.48Å; F102-F116 HydrophobicContact CZ-CZ 4.24Å; T114-F116 HydrophobicContact CG2-CZ 4.39Å
117	C	34	Very low	34.9	Very low	37 Å²	37	77.9 Å²	77.9	25%	0.25	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	135.3	168.1	-57.8	0	0	0	0	108.1	G141 H142	C117-G141 CarbonylContact O-C 3.57Å; C117-G141 WeakPolarHBondContact O-CA 3.44Å; C117-H142 HydrophobicContact CB-CB 4.13Å; C117-H142 VanDerWaalsContact CB-O 3.25Å; C117-H142 WeakPolarHBondContact CB-O 3.5Å; C117-H142 PolarHBondContact N-O 3.37Å; C117-H142 PolarHBondContact O-N 3.25Å; C117-H142 PolarHBondContact SG-O 3.17Å
118	F	40.4	Very low	34.5	Very low	7 Å²	7	87.6 Å²	87.6	3%	0.031	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138	173	58.7	-84.7	0	0	0	109.2	H6 L8 Y74 T120	H6-F118 HydrophobicContact CB-CE1 4.18Å; H6-F118 HydrophobicContact CB-CE2 3.85Å; H6-F118 HydrophobicContact CB-CZ 3.66Å; H6-F118 PolarHBondContact N-O 3.29Å; H6-F118 PolarHBondContact O-N 2.87Å; H6-F118 VanDerWaalsContact O-O 3.08Å; L8-F118 HydrophobicContact CB-CD1 3.94Å; L8-F118 HydrophobicContact CB-CE1 3.59Å; L8-F118 HydrophobicContact CD1-CE1 3.79Å; L8-F118 HydrophobicContact CD1-CZ 4.33Å; L8-F118 HydrophobicContact CG-CE1 4.33Å; Y74-F118 AromaticContact CE2-CE2 3.59Å; Y74-F118 HydrophobicContact CE2-CE2 3.59Å; Y74-F118 HydrophobicContact CE2-CZ 4.05Å; Y74-F118 AromaticContact CZ-CE2 3.78Å; Y74-F118 VanDerWaalsContact OH-CE2 3.3Å; Y74-F118 WeakPolarHBondContact OH-CE2 3.28Å; F118-T120 HydrophobicContact CD2-CG2 4.41Å; F118-T120 HydrophobicContact CE2-CG2 4.17Å
119	L	33.4	Very low	34.1	Very low	66 Å²	66	86.6 Å²	86.6	35%	0.346	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117	177.6	-68.9	170.1	0	0	0	108.6	K5 K121	K5-L119 HydrophobicContact CD-CD2 4.42Å; K5-L119 HydrophobicContact CG-CD2 3.86Å; L119-K121 HydrophobicContact CB-CG 4.44Å; L119-K121 PolarHBondContact O-N 2.99Å
120	T	37.2	Very low	33.5	Very low	25 Å²	25	88.2 Å²	88.2	15%	0.153	47%	0.473	C	S	.	.			trans	-79.2	75	163.3	41.6	0	0	0	0	108.5	E4 H6 L42 Y74 F118	E4-T120 WeakPolarHBondContact CB-OG1 3.45Å; E4-T120 PolarHBondContact O-OG1 3.23Å; H6-T120 VanDerWaalsContact CD2-CG2 3.41Å; H6-T120 WeakPolarHBondContact CD2-CG2 3.41Å; H6-T120 PolarHBondContact CD2-OG1 3.02Å; H6-T120 PolarHBondContact NE2-OG1 3.06Å; L42-T120 HydrophobicContact CD1-CG2 4.4Å; Y74-T120 HydrophobicContact CE1-CG2 3.43Å; Y74-T120 VanDerWaalsContact CE1-CG2 3.43Å; Y74-T120 HydrophobicContact CE2-CG2 4.41Å; Y74-T120 WeakPolarHBondContact OH-CG2 3.27Å; F118-T120 HydrophobicContact CD2-CG2 4.41Å; F118-T120 HydrophobicContact CE2-CG2 4.17Å
121	K	35	Very low	32.8	Very low	95 Å²	95	92.7 Å²	92.7	41%	0.413	50%	0.5	S	S	.	.			trans	-70.2	148.7	166.6	-73.7	-155.5	-176.7	-140.6	0	109.4	E3 L119 A123 C124	E3-K121 WeakPolarHBondContact OE1-CE 3.2Å; E3-K121 IonicContact OE1-NZ 2.65Å; E3-K121 PolarHBondContact OE1-NZ 3.23Å; L119-K121 HydrophobicContact CB-CG 4.44Å; L119-K121 PolarHBondContact O-N 2.99Å; K121-A123 HydrophobicContact CB-CB 3.46Å; K121-A123 VanDerWaalsContact CB-CB 3.46Å; K121-A123 HydrophobicContact CD-CB 4.06Å; K121-A123 HydrophobicContact CG-CB 4.37Å; K121-A123 PolarHBondContact O-N 3.46Å; K121-C124 PolarHBondContact O-N 3.33Å
122	P	31.5	Very low	32.2	Very low	64 Å²	64	98.2 Å²	98.2	42%	0.416	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-58.9	-0.2	153.3	23.9	-30.3	0	0	0	112.8	M1 C124 Q125	M1-P122 HydrophobicContact SD-CG 3.81Å; P122-C124 PolarHBondContact O-N 3.25Å; P122-Q125 WeakPolarHBondContact O-CA 3.03Å; P122-Q125 WeakPolarHBondContact O-CB 3.39Å; P122-Q125 PolarHBondContact O-N 3.24Å
123	A	31.9	Very low	31.6	Very low	71 Å²	71	97.6 Å²	97.6	59%	0.587	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-63.1	-21.3	170.6	0	0	0	0	0	113.4	K121 Q125	K121-A123 HydrophobicContact CB-CB 3.46Å; K121-A123 VanDerWaalsContact CB-CB 3.46Å; K121-A123 HydrophobicContact CD-CB 4.06Å; K121-A123 HydrophobicContact CG-CB 4.37Å; K121-A123 PolarHBondContact O-N 3.46Å; A123-Q125 PolarHBondContact O-N 3.07Å
124	C	31.7	Very low	31	Very low	75 Å²	75	99.5 Å²	99.5	51%	0.507	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-71.8	-17.2	166.8	-88.3	0	0	0	0	113.1	K121 P122	K121-C124 PolarHBondContact O-N 3.33Å; P122-C124 PolarHBondContact O-N 3.25Å
125	Q	29.3	Very low	30.4	Very low	145 Å²	145	101.4 Å²	101.4	68%	0.678	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.9	-176.8	-72.6	-171.2	-17	0	0	114.8	P122 A123 K127	P122-Q125 WeakPolarHBondContact O-CA 3.03Å; P122-Q125 WeakPolarHBondContact O-CB 3.39Å; P122-Q125 PolarHBondContact O-N 3.24Å; A123-Q125 PolarHBondContact O-N 3.07Å; Q125-K127 PolarHBondContact O-N 3.42Å; Q125-K127 VanDerWaalsContact O-N 3.14Å
126	K	27.1	Very low	30	Very low	190 Å²	190	109.6 Å²	109.6	83%	0.826	58%	0.58	S	S	*	*			trans	-88.7	57.6	179.2	-98.7	-166.6	-179.5	-178.4	0	113.7
127	K	28.5	Very low	29.3	Very low	140 Å²	140	119.6 Å²	119.6	61%	0.609	62%	0.616	S	S	*	*			trans	-150.1	77.1	156.2	-76.3	-152.7	-179.6	-165.6	0	112.8	Q125	Q125-K127 PolarHBondContact O-N 3.42Å; Q125-K127 VanDerWaalsContact O-N 3.14Å
128	R	27.9	Very low	29.2	Very low	258 Å²	258	121 Å²	121	97%	0.974	63%	0.627	S	S	*	*	S	Bend	trans	-117.8	7.3	152	-108.6	-172.7	178.2	-170	0.6	114.5
129	S	26.4	Very low	28.8	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	63%	0.634	S	S	*	*	S	Bend	trans	-128.2	94	178.4	63.5	0	0	0	0	113	V131	S129-V131 PolarHBondContact O-N 2.94Å; S129-V131 VanDerWaalsContact O-N 3.15Å
130	G	24.5	Very low	28.8	Very low	87 Å²	87	123 Å²	123	90%	0.897	64%	0.64	S	S	*	*				69	16.1	129.2	0	0	0	0	0	122.9
131	V	23.9	Very low	28.7	Very low	117 Å²	117	124.1 Å²	124.1	71%	0.709	66%	0.657	S	S	*	*			trans	-131.5	113.7	176.9	-172	0	0	0	0	114	S129	S129-V131 PolarHBondContact O-N 2.94Å; S129-V131 VanDerWaalsContact O-N 3.15Å
132	K	25.9	Very low	28.5	Very low	189 Å²	189	125.2 Å²	125.2	82%	0.822	66%	0.663	S	S	*	*			trans	-63.4	150.1	165.5	-77.3	178.5	174.1	174.2	0	110.7
133	K	25.5	Very low	28.6	Very low	175 Å²	175	124.1 Å²	124.1	76%	0.761	66%	0.659	S	S	*	*	S	Bend	trans	88.6	122.1	167.9	-53.4	-178.9	-179.9	-179.7	0	115.6
134	H	23.4	Very low	28.6	Very low	183 Å²	183	124.1 Å²	124.1	85%	0.847	66%	0.655	S	S	*	*			trans	69.2	88.9	171.8	-53.5	-61.8	0	0	0	118.5
135	A	25.6	Very low	28.6	Very low	66 Å²	66	125.6 Å²	125.6	55%	0.545	66%	0.662	S	S	.	*			trans	-154.3	62.9	154.8	0	0	0	0	0	111.9	R137	A135-R137 VanDerWaalsContact C-N 3.33Å
136	N	24.6	Very low	28.5	Very low	175 Å²	175	121.9 Å²	121.9	94%	0.936	66%	0.663	S	S	*	*			trans	-87.4	76.3	149.6	-98.8	-13.1	0	0	0	106.6
137	R	27	Very low	28.4	Very low	242 Å²	242	122.3 Å²	122.3	91%	0.913	67%	0.667	S	S	*	*			trans	-116.3	98.4	171.2	-83.2	-173.5	173.6	-171.3	-2.3	108.1	A135	A135-R137 VanDerWaalsContact C-N 3.33Å
138	S	31.8	Very low	28.2	Very low	66 Å²	66	120.1 Å²	120.1	46%	0.462	67%	0.67	S	S	.	*			trans	-51.9	140.8	175.9	44.3	0	0	0	0	112.1	N140	S138-N140 PolarHBondContact O-N 2.84Å; S138-N140 PolarHBondContact O-OD1 2.73Å; S138-N140 PolarHBondContact OG-OD1 2.94Å
139	C	32.6	Very low	28	Very low	27 Å²	27	115 Å²	115	18%	0.182	67%	0.668	C	S	.	*			trans	-61.1	103.4	157.6	-64.6	0	0	0	0	107.7	M99 C100 G141	M99-C139 PolarHBondContact O-SG 3.3Å; M99-C139 VanDerWaalsContact O-SG 3.37Å; C100-C139 HydrophobicContact CB-CB 4.16Å; C100-C139 WeakPolarHBondContact SG-CB 3.27Å; C139-G141 PolarHBondContact O-N 3.22Å
140	N	33.8	Very low	27.9	Very low	89 Å²	89	115.4 Å²	115.4	48%	0.476	67%	0.666	S	S	.	*			trans	-79.9	102.4	176.9	-73.1	-9.7	0	0	0	108.4	S138	S138-N140 PolarHBondContact O-N 2.84Å; S138-N140 PolarHBondContact O-OD1 2.73Å; S138-N140 PolarHBondContact OG-OD1 2.94Å
141	G	34.4	Very low	28	Very low	49 Å²	49	122.1 Å²	122.1	51%	0.505	67%	0.67	S	S	.	*			trans	-87.6	138.7	177.2	0	0	0	0	0	113.3	C117 C139	C117-G141 CarbonylContact O-C 3.57Å; C117-G141 WeakPolarHBondContact O-CA 3.44Å; C139-G141 PolarHBondContact O-N 3.22Å
142	H	32.2	Very low	28	Very low	117 Å²	117	119.7 Å²	119.7	54%	0.542	66%	0.662	S	S	.	*	B	Isolated β-bridge	trans	-91.2	132.3	172.1	-121.8	-86.6	0	0	0	109.5	C117	C117-H142 HydrophobicContact CB-CB 4.13Å; C117-H142 VanDerWaalsContact CB-O 3.25Å; C117-H142 WeakPolarHBondContact CB-O 3.5Å; C117-H142 PolarHBondContact N-O 3.37Å; C117-H142 PolarHBondContact O-N 3.25Å; C117-H142 PolarHBondContact SG-O 3.17Å
143	A	33.9	Very low	28	Very low	41 Å²	41	113.6 Å²	113.6	34%	0.339	65%	0.647	S	S	.	*			trans	-96.4	115.6	162.4	0	0	0	0	0	108
144	S	30.5	Very low	27.9	Very low	72 Å²	72	115.3 Å²	115.3	50%	0.503	66%	0.655	S	S	.	*			trans	-94.3	103.2	168.3	173.6	0	0	0	0	107.4	G146	S144-G146 PolarHBondContact O-N 3.45Å
145	T	32.9	Very low	28.2	Very low	106 Å²	106	112 Å²	112	65%	0.65	64%	0.638	S	S	*	*			trans	-73.4	108.2	169.9	47.5	0	0	0	0	108.4	E147	T145-E147 PolarHBondContact O-N 3.32Å
146	G	26.6	Very low	28.1	Very low	67 Å²	67	114.3 Å²	114.3	69%	0.691	65%	0.65	S	S	*	*			trans	-61.2	122.3	157.6	0	0	0	0	0	108.1	S144	S144-G146 PolarHBondContact O-N 3.45Å
147	E	24.1	Very low	28.1	Very low	198 Å²	198	113.2 Å²	113.2	93%	0.925	64%	0.639	S	S	*	*	S	Bend	trans	1.7	109.8	170.4	-65.9	173.1	148.7	0	0	117.5	T145	T145-E147 PolarHBondContact O-N 3.32Å
148	S	24.4	Very low	28.1	Very low	94 Å²	94	104.9 Å²	104.9	66%	0.657	62%	0.617	S	S	*	*			trans	-159.7	128.3	141.9	114.7	0	0	0	0	110.3	T150	S148-T150 VanDerWaalsContact C-N 3.32Å; S148-T150 PolarHBondContact O-N 3.12Å
149	T	24.3	Very low	27.8	Very low	152 Å²	152	106 Å²	106	93%	0.933	63%	0.625	S	S	*	*			trans	-74.1	57	-170.3	45.5	0	0	0	0	114.8
150	T	25.1	Very low	27.7	Very low	111 Å²	111	110.4 Å²	110.4	68%	0.681	65%	0.653	S	S	*	*	S	Bend	trans	-134.9	133.8	173	30.6	0	0	0	0	111.8	S148 A152	S148-T150 VanDerWaalsContact C-N 3.32Å; S148-T150 PolarHBondContact O-N 3.12Å; T150-A152 VanDerWaalsContact C-N 3.26Å; T150-A152 PolarHBondContact O-N 2.92Å
151	K	25.5	Very low	27.3	Very low	229 Å²	229	112.4 Å²	112.4	100%	0.996	66%	0.664	S	S	*	*			trans	-64.4	61.7	-167.6	-67.6	170.6	170	174	0	114.5
152	A	24.5	Very low	26.7	Very low	65 Å²	65	115.6 Å²	115.6	54%	0.537	68%	0.678	S	S	.	*			trans	-129.7	125.5	177.5	0	0	0	0	0	112	T150	T150-A152 VanDerWaalsContact C-N 3.26Å; T150-A152 PolarHBondContact O-N 2.92Å
153	A	25.1	Very low	26.4	Very low	62 Å²	62	116.1 Å²	116.1	51%	0.512	69%	0.692	S	S	.	*			trans	79.8	96.6	171.8	0	0	0	0	0	118.3	F155	A153-F155 HydrophobicContact CB-CD2 3.77Å; A153-F155 HydrophobicContact CB-CE1 4.38Å; A153-F155 HydrophobicContact CB-CE2 3.13Å; A153-F155 HydrophobicContact CB-CZ 3.48Å; A153-F155 VanDerWaalsContact CB-CZ 3.48Å; A153-F155 PolarHBondContact O-N 2.86Å
154	K	24.5	Very low	25.9	Very low	211 Å²	211	118.1 Å²	118.1	92%	0.917	71%	0.709	S	S	*	*			trans	-78.9	107.7	156.3	-73.8	-175	177.6	-175.8	0	108.4
155	F	28.4	Very low	25.5	Very low	113 Å²	113	120.2 Å²	120.2	50%	0.496	72%	0.722	S	S	.	*	P	Polyproline II helix	trans	-96.7	127.8	170.2	-64.2	-78.7	0	0	0	109.4	A153	A153-F155 HydrophobicContact CB-CD2 3.77Å; A153-F155 HydrophobicContact CB-CE1 4.38Å; A153-F155 HydrophobicContact CB-CE2 3.13Å; A153-F155 HydrophobicContact CB-CZ 3.48Å; A153-F155 VanDerWaalsContact CB-CZ 3.48Å; A153-F155 PolarHBondContact O-N 2.86Å
156	S	24.3	Very low	25.1	Very low	114 Å²	114	120.7 Å²	120.7	80%	0.797	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-70.9	132.3	-177.1	53.1	0	0	0	0	112
157	H	25	Very low	25	Very low	153 Å²	153	126.5 Å²	126.5	71%	0.708	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-49	141.2	-179.3	-58.7	-78.1	0	0	0	114.8
158	C	26.8	Very low	25.1	Very low	66 Å²	66	126.3 Å²	126.3	45%	0.446	73%	0.73	S	S	.	*			trans	-116.7	101.5	159.1	-73.4	0	0	0	0	108
159	S	25.3	Very low	25.2	Very low	90 Å²	90	127.3 Å²	127.3	63%	0.629	74%	0.737	S	S	*	*			trans	-118.3	139.6	156.9	-172.1	0	0	0	0	107.1	D161	S159-D161 PolarHBondContact O-N 3.1Å; S159-D161 VanDerWaalsContact O-N 3.16Å
160	P	31.2	Very low	25.2	Very low	120 Å²	120	123.6 Å²	123.6	78%	0.779	73%	0.729	S	S	*	*	S	Bend	trans	-72	-5.4	-171.8	27.1	-28.9	0	0	0	113.8
161	D	24.3	Very low	25.3	Very low	131 Å²	131	125.8 Å²	125.8	70%	0.701	74%	0.735	S	S	*	*	S	Bend	trans	-138.9	128	176	-65.8	-59	0	0	0	111.6	S159	S159-D161 PolarHBondContact O-N 3.1Å; S159-D161 VanDerWaalsContact O-N 3.16Å
162	S	22.5	Very low	25.2	Very low	115 Å²	115	120 Å²	120	80%	0.804	72%	0.723	S	S	*	*			trans	91.2	139	166.3	-58.1	0	0	0	0	121	A164	S162-A164 PolarHBondContact O-N 2.77Å
163	P	24.9	Very low	25.2	Very low	129 Å²	129	125 Å²	125	84%	0.838	74%	0.736	S	S	*	*			trans	-84.8	109.7	-179.4	34.3	-29.6	0	0	0	110.7	C165	P163-C165 PolarHBondContact O-N 3.35Å
164	A	23	Very low	25.1	Very low	82 Å²	82	127 Å²	127	68%	0.678	75%	0.745	S	S	*	*			trans	-91	106.2	176	0	0	0	0	0	111.4	S162	S162-A164 PolarHBondContact O-N 2.77Å
165	C	22.7	Very low	25.2	Very low	116 Å²	116	121.8 Å²	121.8	78%	0.784	74%	0.742	S	S	*	*			trans	-65.5	132.4	156.5	-155.9	0	0	0	0	108.4	P163	P163-C165 PolarHBondContact O-N 3.35Å
166	V	24.4	Very low	24.9	Very low	116 Å²	116	125 Å²	125	70%	0.703	76%	0.758	S	S	*	*			trans	-126.2	113.5	172.9	-176.6	0	0	0	0	109.5
167	F	24	Very low	25	Very low	190 Å²	190	126.3 Å²	126.3	83%	0.833	76%	0.762	S	S	*	*			trans	-61.9	144	174.9	-92.9	-103.8	0	0	0	112.4
168	Q	26.6	Very low	25	Very low	194 Å²	194	124.2 Å²	124.2	91%	0.907	76%	0.764	S	S	*	*			trans	-75.9	132.5	162.9	-84	174.9	-45.1	0	0	109.9
169	S	27.6	Very low	25.3	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	78%	0.777	S	S	*	*			trans	-144.8	111.8	159	58.8	0	0	0	0	110.5
170	G	23.5	Very low	25.5	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	79%	0.788	S	S	*	*			trans	53.9	143.3	149.1	0	0	0	0	0	119
171	I	27	Very low	25.3	Very low	156 Å²	156	130.1 Å²	130.1	80%	0.8	78%	0.782	S	S	*	*			cis	-156.5	145.5	34.7	-78.6	160.1	0	0	0	108.8
172	S	22.8	Very low	25.6	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	79%	0.79	S	S	*	*			trans	-58.5	137	167.5	-50.4	0	0	0	0	113.6
173	H	25.4	Very low	25.9	Very low	172 Å²	172	133.8 Å²	133.8	80%	0.796	79%	0.787	S	S	*	*			trans	-143	106	142.6	-77.9	-64.2	0	0	0	109.1
174	S	23.8	Very low	26.2	Very low	102 Å²	102	136 Å²	136	71%	0.713	79%	0.791	S	S	*	*			trans	7.7	113.4	139.6	50.7	0	0	0	0	117.6
175	A	25.4	Very low	26.7	Very low	102 Å²	102	142.2 Å²	142.2	84%	0.843	80%	0.797	S	S	*	*			trans	-125.7	90	141.2	0	0	0	0	0	106.8
176	Q	22.7	Very low	27.1	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	79%	0.789	S	S	*	*			trans	-82.3	108.3	171.7	-168.7	178.3	16.5	0	0	106.1
177	T	25.5	Very low	27.6	Very low	142 Å²	142	144.4 Å²	144.4	87%	0.871	79%	0.792	S	S	*	*			trans	-145.9	93.7	160.5	30.2	0	0	0	0	109.4
178	S	25.8	Very low	27.8	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	79%	0.789	S	S	*	*			trans	-135.9	161.6	149	50.4	0	0	0	0	105.3
179	P	33.8	Very low	28.1	Very low	110 Å²	110	139.1 Å²	139.1	71%	0.714	79%	0.788	S	S	*	*			cis	-139	173.6	-0.9	37	-17.7	0	0	0	114.5
180	Q	28.9	Very low	28.1	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	79%	0.787	S	S	*	*			trans	-176.4	95.8	140.3	-103.6	178.6	-4.6	0	0	107.7
181	T	27.5	Very low	28.5	Very low	108 Å²	108	141.7 Å²	141.7	66%	0.663	79%	0.793	S	S	*	*				53.7	107.8	93.7	62.1	0	0	0	0	115.1
182	N	30.4	Very low	28.4	Very low	163 Å²	163	143.6 Å²	143.6	87%	0.872	80%	0.795	S	S	*	*			trans	-156.7	146.4	130.5	-105.4	-18.1	0	0	0	112.5
183	H	28.4	Very low	28.8	Very low	160 Å²	160	143.5 Å²	143.5	74%	0.741	80%	0.795	S	S	*	*			trans	-81.1	148.3	-160.6	-66.6	-94.2	0	0	0	115.4
184	L	31.9	Very low	29.1	Very low	176 Å²	176	140.3 Å²	140.3	92%	0.921	79%	0.792	S	S	*	*			trans	-175.6	82.6	147.6	-96.9	140.9	0	0	0	106.1
185	R	33.3	Very low	29.6	Very low	212 Å²	212	141.4 Å²	141.4	80%	0.8	80%	0.8	S	S	*	*				41.7	110.7	89.2	-98.8	-167.8	173.1	-178.8	2.8	115.5
186	D	29.4	Very low	29.7	Very low	116 Å²	116	146.2 Å²	146.2	62%	0.62	81%	0.805	S	S	*	*				100.8	126.6	126.2	-64.5	-21.5	0	0	0	122.5
187	H	35	Very low	30.1	Very low	162 Å²	162	143 Å²	143	75%	0.75	80%	0.802	S	S	*	*			trans	87.1	102.2	143.2	-75.3	-58.6	0	0	0	123.3
188	N	28.6	Very low	30.3	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	79%	0.793	S	S	*	*				33.9	126.3	121.4	-75.7	-9.7	0	0	0	121
189	S	33.3	Very low	30.3	Very low	126 Å²	126	141.6 Å²	141.6	88%	0.881	79%	0.793	S	S	*	*				-167.9	145.3	113.6	41	0	0	0	0	112.1
190	A	28.4	Very low	30	Very low	94 Å²	94	145.5 Å²	145.5	78%	0.777	80%	0.802	S	S	*	*			trans	-91.6	146.5	-176.8	0	0	0	0	0	111.8
191	V	30.9	Very low	30.1	Very low	148 Å²	148	149 Å²	149	90%	0.897	81%	0.807	S	S	*	*			trans	-143.4	124.1	149.9	-178.8	0	0	0	0	109.6
192	K	26.3	Very low	30	Very low	196 Å²	196	152 Å²	152	85%	0.852	82%	0.819	S	S	*	*			trans	-81.6	138.7	165.9	-70.8	173.6	175.7	174.9	0	109
193	S	30.6	Very low	30	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	82%	0.818	S	S	*	*				162	133	116	55.9	0	0	0	0	113.7
194	S	31.1	Very low	29.9	Very low	106 Å²	106	154.1 Å²	154.1	74%	0.741	83%	0.825	S	S	*	*			trans	57.7	112.4	147.8	61.1	0	0	0	0	120.5
195	S	34.7	Very low	29.6	Very low	125 Å²	125	156.6 Å²	156.6	87%	0.874	82%	0.822	S	S	*	*				-169.8	109.4	123.1	-75.4	0	0	0	0	109.3
196	Q	28	Very low	29.3	Very low	202 Å²	202	158.2 Å²	158.2	94%	0.944	83%	0.828	S	S	*	*			trans	-75.7	128.6	167.4	-75.5	175.5	-37.2	0	0	109.3
197	S	30.3	Very low	29.3	Very low	113 Å²	113	158.2 Å²	158.2	79%	0.79	83%	0.834	S	S	*	*			trans	-168.2	118.7	150	-179.2	0	0	0	0	112.3
198	S	29.4	Very low	28.9	Very low	97 Å²	97	157.4 Å²	157.4	68%	0.678	84%	0.835	S	S	*	*			trans	55.7	128.4	134.4	-158.9	0	0	0	0	120.7
199	T	26.3	Very low	28.9	Very low	126 Å²	126	158.1 Å²	158.1	77%	0.773	84%	0.838	S	S	*	*			trans	78	79.4	167.3	62.8	0	0	0	0	118.1
200	Q	28.1	Very low	28.6	Very low	191 Å²	191	160.1 Å²	160.1	89%	0.893	83%	0.832	S	S	*	*			trans	-176.1	95.1	142.9	-105	171.4	39.2	0	0	110.4
201	R	29.9	Very low	28.7	Very low	256 Å²	256	161.1 Å²	161.1	97%	0.966	83%	0.832	S	S	*	*			trans	171.8	63.7	149.2	-99.1	169.7	173	-167.1	-0.5	111.1
202	L	26.6	Very low	28.5	Very low	172 Å²	172	158 Å²	158	90%	0.901	83%	0.829	S	S	*	*			trans	-114.8	107.5	155.3	-103.7	123.7	0	0	0	106.7
203	L	29.1	Very low	28.5	Very low	164 Å²	164	157.3 Å²	157.3	86%	0.859	83%	0.826	S	S	*	*			trans	161.6	58.2	150.1	-82.2	164.8	0	0	0	108.1
204	K	27	Very low	28.5	Very low	202 Å²	202	157.8 Å²	157.8	88%	0.878	83%	0.83	S	S	*	*			trans	-81	140	146.1	-78.6	-172.6	175.2	-179.1	0	106.4
205	R	26.5	Very low	28.4	Very low	229 Å²	229	159.4 Å²	159.4	86%	0.864	83%	0.83	S	S	*	*			trans	90.7	86.8	173.5	-57.3	-180	166.7	-160.7	-4.1	116
206	W	27	Very low	28.4	Very low	246 Å²	246	159.9 Å²	159.9	93%	0.932	83%	0.827	S	S	*	*				-146.9	123.4	129.7	-93.2	78.8	0	0	0	106.8
207	P	29.2	Very low	28.7	Very low	115 Å²	115	157.9 Å²	157.9	75%	0.747	82%	0.823	S	S	*	*			trans	-74.9	140	-171.5	28.8	-32.3	0	0	0	112.3	N209	P207-N209 PolarHBondContact O-N 2.86Å
208	L	25.9	Very low	28.7	Very low	145 Å²	145	156.8 Å²	156.8	76%	0.759	82%	0.821	S	S	*	*			trans	-68.8	101.9	169.4	-71.9	164.1	0	0	0	109.5	F210	L208-F210 VanDerWaalsContact C-N 3.32Å; L208-F210 HydrophobicContact CB-CD2 4.21Å; L208-F210 HydrophobicContact CD2-CD2 4.3Å; L208-F210 HydrophobicContact CD2-CE2 4.07Å; L208-F210 PolarHBondContact O-N 3.13Å
209	N	29	Very low	28.6	Very low	162 Å²	162	161.2 Å²	161.2	87%	0.866	83%	0.828	S	S	*	*			trans	-84.2	84.8	159.4	-86.4	-7.6	0	0	0	108.8	P207	P207-N209 PolarHBondContact O-N 2.86Å
210	F	27.5	Very low	28.9	Very low	168 Å²	168	167.8 Å²	167.8	74%	0.737	85%	0.85	S	S	*	*			trans	-79.4	145.3	152.9	-90.7	-97.3	0	0	0	108.6	L208	L208-F210 VanDerWaalsContact C-N 3.32Å; L208-F210 HydrophobicContact CB-CD2 4.21Å; L208-F210 HydrophobicContact CD2-CD2 4.3Å; L208-F210 HydrophobicContact CD2-CE2 4.07Å; L208-F210 PolarHBondContact O-N 3.13Å
211	C	28.6	Very low	28.9	Very low	116 Å²	116	166.7 Å²	166.7	78%	0.784	85%	0.848	S	S	*	*			trans	79.1	90.9	169.7	-63.2	0	0	0	0	118.2
212	G	26.5	Very low	28.9	Very low	81 Å²	81	161.9 Å²	161.9	84%	0.835	84%	0.841	S	S	*	*			trans	-86	109.4	135.8	0	0	0	0	0	108.2
213	K	27.6	Very low	29	Very low	183 Å²	183	161.4 Å²	161.4	80%	0.796	84%	0.838	S	S	*	*			trans	-61.6	133	177.8	-61.5	171.6	176.9	-179.4	0	110.2
214	S	31.2	Very low	29	Very low	115 Å²	115	161.2 Å²	161.2	80%	0.804	84%	0.837	S	S	*	*			trans	-120	96.2	147.8	35.8	0	0	0	0	106.5	T216	S214-T216 PolarHBondContact O-N 3.44Å
215	D	28.6	Very low	29.1	Very low	140 Å²	140	158.7 Å²	158.7	75%	0.749	83%	0.834	S	S	*	*			trans	-63.9	108.6	163.3	-75.3	-53	0	0	0	107.9
216	T	33.9	Very low	29.3	Very low	134 Å²	134	154 Å²	154	82%	0.822	83%	0.832	S	S	*	*			trans	-143.9	88	142.4	33.1	0	0	0	0	107.4	S214 A218	S214-T216 PolarHBondContact O-N 3.44Å; T216-A218 PolarHBondContact O-N 2.9Å
217	N	35.4	Very low	29.5	Very low	160 Å²	160	147.4 Å²	147.4	86%	0.856	83%	0.825	S	S	*	*			trans	-69	105.1	165.3	-140.9	-3.4	0	0	0	106.9	K219	N217-K219 PolarHBondContact O-N 3.15Å
218	A	29.4	Very low	29.5	Very low	90 Å²	90	149.9 Å²	149.9	74%	0.744	83%	0.831	S	S	*	*			trans	-71.8	102.4	162.7	0	0	0	0	0	108.1	T216	T216-A218 PolarHBondContact O-N 2.9Å
219	K	27.4	Very low	29.8	Very low	191 Å²	191	150.3 Å²	150.3	83%	0.83	84%	0.837	S	S	*	*			trans	-179.7	89.1	150.1	-101.2	176.7	-174.3	-171.9	0	109.2	N217	N217-K219 PolarHBondContact O-N 3.15Å
220	H	32.5	Very low	29.9	Very low	264 Å²	264	149.3 Å²	149.3	100%	1.222	83%	0.834	S	S	*	*			trans	-167	0	137.8	-120.7	-70.4	0	0	0	109.9

Retrieved 220 of 220 residues in 99.8 ms (Link to these results)

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