A0A3Q0KS07_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 aa.

						>A0A3Q0KS07_SCHMA|A0A3Q0KS07
MTGVIQPNGKISLYFDNIPAEVDESECISKINATLSCSFQGFIDHEIPVPAKWIKSGTLVEYEVIGTLSFHRNLFETCQRATTTKMTCTWCEKGDKCLESNDEDTHELKVNDCRVEVGIC
					

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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	83.7	Confident	88.4	Confident	141 Å²	141	86 Å²	86	70%	0.695	51%	0.505	S	S	*	.				0	133.9	0	-178.9	-175.8	78.2	0	0	108.8	Y14 F15	M1-Y14 CarbonylContact C-O 3.55Å; M1-Y14 VanDerWaalsContact CA-O 3.25Å; M1-Y14 WeakPolarHBondContact CA-O 3.39Å; M1-F15 HydrophobicContact CB-CD1 4.47Å; M1-F15 HydrophobicContact CG-CD1 4.13Å; M1-F15 HydrophobicContact CG-CE1 4.12Å; M1-F15 HydrophobicContact SD-CD1 4.28Å; M1-F15 HydrophobicContact SD-CE1 3.7Å; M1-F15 HydrophobicContact SD-CZ 4.33Å
2	T	90.4	Very high	88.7	Confident	94 Å²	94	80.1 Å²	80.1	58%	0.577	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	174	-56.4	0	0	0	0	108.4	Y14	T2-Y14 PolarHBondContact N-O 3.42Å; T2-Y14 PolarHBondContact O-N 3.06Å
3	G	90.5	Very high	88.9	Confident	47 Å²	47	75.3 Å²	75.3	49%	0.485	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.6	179.9	0	0	0	0	0	111.8	S12	G3-S12 WeakPolarHBondContact CA-O 3Å
4	V	92.6	Very high	89.2	Confident	83 Å²	83	76.8 Å²	76.8	50%	0.503	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	172.5	179.7	0	0	0	0	108.7	Q6 S12	V4-Q6 HydrophobicContact CG1-CG 4.48Å; V4-S12 PolarHBondContact N-O 3.03Å; V4-S12 PolarHBondContact O-N 2.93Å
5	I	89	Confident	89.2	Confident	131 Å²	131	72.3 Å²	72.3	67%	0.672	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.4	169.9	-54.1	178.4	0	0	0	107.1	I11	I5-I11 HydrophobicContact CG1-CG1 4.35Å; I5-I11 HydrophobicContact CG2-CG1 4.45Å
6	Q	90.3	Very high	89.3	Confident	66 Å²	66	72.1 Å²	72.1	31%	0.308	41%	0.408	S	S	.	.			trans	-83.7	155.6	-179.1	-62.3	-177.6	42.2	0	0	110.9	V4 N8 G9 K10 S12	V4-Q6 HydrophobicContact CG1-CG 4.48Å; Q6-N8 WeakPolarHBondContact CB-OD1 3.39Å; Q6-N8 PolarHBondContact O-N 3.31Å; Q6-N8 VanDerWaalsContact O-N 3.11Å; Q6-G9 PolarHBondContact O-N 2.96Å; Q6-K10 HydrophobicContact CB-CB 4.22Å; Q6-K10 WeakPolarHBondContact CB-O 3.43Å; Q6-K10 HydrophobicContact CG-CB 4.42Å; Q6-K10 PolarHBondContact N-O 3.28Å; Q6-S12 PolarHBondContact NE2-OG 3.18Å
7	P	88.3	Confident	89.3	Confident	148 Å²	148	75.4 Å²	75.4	96%	0.961	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24	178.6	-25.8	34.8	0	0	0	114.8	G9	P7-G9 PolarHBondContact O-N 2.85Å
8	N	84.6	Confident	88.9	Confident	113 Å²	113	73.6 Å²	73.6	60%	0.604	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	4.5	174.9	67.1	-6.9	0	0	0	113.6	Q6 K10	Q6-N8 WeakPolarHBondContact CB-OD1 3.39Å; Q6-N8 PolarHBondContact O-N 3.31Å; Q6-N8 VanDerWaalsContact O-N 3.11Å; N8-K10 VanDerWaalsContact C-N 3.32Å; N8-K10 PolarHBondContact O-N 2.91Å; N8-K10 VanDerWaalsContact OD1-CB 3.24Å; N8-K10 WeakPolarHBondContact OD1-CB 3.4Å; N8-K10 PolarHBondContact OD1-N 3.38Å
9	G	83	Confident	88.2	Confident	30 Å²	30	76.8 Å²	76.8	31%	0.309	44%	0.438	S	S	.	.	S	Bend	trans	84	-2.6	-177.8	0	0	0	0	0	114.7	Q6 P7 I11	Q6-G9 PolarHBondContact O-N 2.96Å; P7-G9 PolarHBondContact O-N 2.85Å; G9-I11 PolarHBondContact O-N 2.83Å
10	K	89	Confident	87.6	Confident	52 Å²	52	76.4 Å²	76.4	23%	0.226	44%	0.444	C	S	.	.			trans	-66.1	130.9	174.4	-173.6	174.2	-179.9	-176.9	0	109.9	Q6 N8 E61 Y62	Q6-K10 HydrophobicContact CB-CB 4.22Å; Q6-K10 WeakPolarHBondContact CB-O 3.43Å; Q6-K10 HydrophobicContact CG-CB 4.42Å; Q6-K10 PolarHBondContact N-O 3.28Å; N8-K10 VanDerWaalsContact C-N 3.32Å; N8-K10 PolarHBondContact O-N 2.91Å; N8-K10 VanDerWaalsContact OD1-CB 3.24Å; N8-K10 WeakPolarHBondContact OD1-CB 3.4Å; N8-K10 PolarHBondContact OD1-N 3.38Å; K10-E61 WeakPolarHBondContact CE-OE1 3.42Å; K10-E61 WeakPolarHBondContact CE-OE2 3.02Å; K10-E61 IonicContact NZ-OE1 2.79Å; K10-E61 PolarHBondContact NZ-OE1 3.15Å; K10-E61 IonicContact NZ-OE2 2.69Å; K10-E61 PolarHBondContact NZ-OE2 2.78Å; K10-Y62 WeakPolarHBondContact CA-O 3.47Å; K10-Y62 WeakPolarHBondContact CG-O 3.36Å
11	I	90.8	Very high	86.9	Confident	41 Å²	41	80.6 Å²	80.6	21%	0.21	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126	176.8	-54.4	172.2	0	0	0	108	I5 G9 L13 E61 Y62	I5-I11 HydrophobicContact CG1-CG1 4.35Å; I5-I11 HydrophobicContact CG2-CG1 4.45Å; G9-I11 PolarHBondContact O-N 2.83Å; I11-L13 HydrophobicContact CG2-CD2 4.23Å; I11-L13 HydrophobicContact CG2-CG 4.27Å; I11-E61 CarbonylContact O-C 3.55Å; I11-E61 WeakPolarHBondContact O-CA 3.38Å; I11-Y62 PolarHBondContact N-O 2.69Å; I11-Y62 PolarHBondContact O-N 2.83Å
12	S	92.5	Very high	86.6	Confident	15 Å²	15	75.7 Å²	75.7	11%	0.105	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.1	176.4	-59.4	0	0	0	0	109	G3 V4 Q6 V60 E61	G3-S12 WeakPolarHBondContact CA-O 3Å; V4-S12 PolarHBondContact N-O 3.03Å; V4-S12 PolarHBondContact O-N 2.93Å; Q6-S12 PolarHBondContact NE2-OG 3.18Å; S12-V60 WeakPolarHBondContact CA-O 3.12Å; S12-E61 PolarHBondContact OG-OE1 3.14Å; S12-E61 VanDerWaalsContact OG-OE1 3.08Å
13	L	91.5	Very high	85.9	Confident	18 Å²	18	75 Å²	75	9%	0.094	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.9	179.3	-62.3	-179.4	0	0	0	109.7	I11 F15 I31 V60 Y62	I11-L13 HydrophobicContact CG2-CD2 4.23Å; I11-L13 HydrophobicContact CG2-CG 4.27Å; L13-F15 HydrophobicContact CB-CE2 4.08Å; L13-F15 HydrophobicContact CB-CZ 4.23Å; L13-F15 HydrophobicContact CD1-CZ 4.38Å; L13-I31 HydrophobicContact CD1-CD1 3.76Å; L13-I31 HydrophobicContact CD1-CG1 4.12Å; L13-V60 PolarHBondContact N-O 3.23Å; L13-V60 PolarHBondContact O-N 2.97Å; L13-Y62 HydrophobicContact CD1-CE2 4.22Å
14	Y	92.8	Very high	85.1	Confident	96 Å²	96	77.9 Å²	77.9	38%	0.376	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.5	173	-172.1	-108.8	0	0	0	110.4	M1 T2 D16 T58 L59	M1-Y14 CarbonylContact C-O 3.55Å; M1-Y14 VanDerWaalsContact CA-O 3.25Å; M1-Y14 WeakPolarHBondContact CA-O 3.39Å; T2-Y14 PolarHBondContact N-O 3.42Å; T2-Y14 PolarHBondContact O-N 3.06Å; Y14-D16 HydrophobicContact CD1-CB 4.01Å; Y14-D16 HydrophobicContact CE1-CB 3.74Å; Y14-T58 WeakPolarHBondContact CD2-O 3.41Å; Y14-L59 HydrophobicContact CD2-CB 4.32Å
15	F	89.4	Confident	84.2	Confident	10 Å²	10	78.6 Å²	78.6	4%	0.044	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.8	178.3	-63.8	-80.6	0	0	0	109.3	M1 L13 I18 V49 I54 K55 S56 G57 T58 V60	M1-F15 HydrophobicContact CB-CD1 4.47Å; M1-F15 HydrophobicContact CG-CD1 4.13Å; M1-F15 HydrophobicContact CG-CE1 4.12Å; M1-F15 HydrophobicContact SD-CD1 4.28Å; M1-F15 HydrophobicContact SD-CE1 3.7Å; M1-F15 HydrophobicContact SD-CZ 4.33Å; L13-F15 HydrophobicContact CB-CE2 4.08Å; L13-F15 HydrophobicContact CB-CZ 4.23Å; L13-F15 HydrophobicContact CD1-CZ 4.38Å; F15-I18 HydrophobicContact CB-CG1 4.03Å; F15-I18 HydrophobicContact CD1-CD1 4.46Å; F15-V49 HydrophobicContact CZ-CG1 4.32Å; F15-I54 HydrophobicContact CD1-CB 4.45Å; F15-I54 HydrophobicContact CD1-CG2 3.68Å; F15-I54 HydrophobicContact CE1-CB 4.41Å; F15-I54 HydrophobicContact CE1-CG1 4.07Å; F15-I54 HydrophobicContact CE1-CG2 3.86Å; F15-I54 HydrophobicContact CG-CG2 4.28Å; F15-I54 HydrophobicContact CZ-CG1 4.06Å; F15-K55 WeakPolarHBondContact CB-O 3.27Å; F15-S56 CarbonylContact O-C 3.55Å; F15-S56 WeakPolarHBondContact O-CA 3.32Å; F15-G57 PolarHBondContact O-N 3.34Å; F15-T58 PolarHBondContact N-O 3.36Å; F15-V60 HydrophobicContact CD2-CG2 4.2Å; F15-V60 HydrophobicContact CE2-CB 4.17Å; F15-V60 HydrophobicContact CE2-CG2 3.69Å
16	D	90.5	Very high	83.5	Confident	68 Å²	68	80 Å²	80	36%	0.364	44%	0.444	S	S	.	.			trans	-131.8	149.7	179.4	-171.2	22.9	0	0	0	109.7	Y14 I18	Y14-D16 HydrophobicContact CD1-CB 4.01Å; Y14-D16 HydrophobicContact CE1-CB 3.74Å; D16-I18 VanDerWaalsContact C-N 3.25Å; D16-I18 PolarHBondContact O-N 3.14Å
17	N	88.3	Confident	82.6	Confident	129 Å²	129	80.2 Å²	80.2	69%	0.69	45%	0.452	S	S	*	.			trans	53.4	39.1	-176.8	-55.5	-65.9	0	0	0	113.2	P19 S56	N17-P19 VanDerWaalsContact O-CD 3.28Å; N17-P19 WeakPolarHBondContact O-CD 3.41Å; N17-S56 PolarHBondContact N-OG 2.98Å; N17-S56 VanDerWaalsContact N-OG 3.1Å
18	I	83.7	Confident	82	Confident	43 Å²	43	79.4 Å²	79.4	22%	0.221	44%	0.438	C	S	.	.			trans	-81	109.3	171.2	-52.3	-58.2	0	0	0	107.6	F15 D16 A20 V22 I54	F15-I18 HydrophobicContact CB-CG1 4.03Å; F15-I18 HydrophobicContact CD1-CD1 4.46Å; D16-I18 VanDerWaalsContact C-N 3.25Å; D16-I18 PolarHBondContact O-N 3.14Å; I18-A20 WeakPolarHBondContact CG2-O 3.36Å; I18-A20 PolarHBondContact O-N 2.99Å; I18-V22 HydrophobicContact CG2-CG2 3.96Å; I18-I54 HydrophobicContact CD1-CG2 4.41Å; I18-I54 HydrophobicContact CG1-CG2 4.44Å
19	P	75.4	Confident	81.7	Confident	134 Å²	134	76 Å²	76	87%	0.87	42%	0.423	S	S	*	.			trans	-77.6	-18.5	-164.1	29.3	-34.2	0	0	0	114.5	N17	N17-P19 VanDerWaalsContact O-CD 3.28Å; N17-P19 WeakPolarHBondContact O-CD 3.41Å
20	A	76.5	Confident	81.9	Confident	69 Å²	69	79.5 Å²	79.5	57%	0.57	43%	0.43	S	S	*	.	S	Bend	trans	-147.5	163.4	-178.1	0	0	0	0	0	110.8	I18 V22	I18-A20 WeakPolarHBondContact CG2-O 3.36Å; I18-A20 PolarHBondContact O-N 2.99Å; A20-V22 PolarHBondContact O-N 3.27Å
21	E	72.7	Confident	81.6	Confident	164 Å²	164	78.7 Å²	78.7	77%	0.766	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-60.6	130	167.1	-66.8	-165.4	147.8	0	0	109.1
22	V	76.2	Confident	81.2	Confident	38 Å²	38	81.6 Å²	81.6	23%	0.23	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-81.6	119.6	179.9	-179.3	0	0	0	0	107.8	I18 A20 C27 A51 I54	I18-V22 HydrophobicContact CG2-CG2 3.96Å; A20-V22 PolarHBondContact O-N 3.27Å; V22-C27 HydrophobicContact CG1-CB 3.54Å; V22-A51 HydrophobicContact CB-CB 3.93Å; V22-A51 HydrophobicContact CG1-CB 3.78Å; V22-A51 VanDerWaalsContact O-CB 3.27Å; V22-A51 WeakPolarHBondContact O-CB 3Å; V22-I54 HydrophobicContact CG2-CB 4.3Å; V22-I54 HydrophobicContact CG2-CG2 3.9Å
23	D	76.2	Confident	80.5	Confident	80 Å²	80	82.7 Å²	82.7	43%	0.428	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-83.7	123.5	171.6	-174.6	-14.5	0	0	0	109.4	S25 E26 C27	D23-S25 PolarHBondContact O-N 2.9Å; D23-S25 WeakPolarHBondContact OD1-CB 3.41Å; D23-S25 PolarHBondContact OD1-N 2.69Å; D23-S25 PolarHBondContact OD1-OG 2.81Å; D23-S25 PolarHBondContact OD2-OG 2.84Å; D23-E26 HydrophobicContact CB-CB 4.34Å; D23-E26 HydrophobicContact CB-CG 4.27Å; D23-E26 PolarHBondContact O-N 2.03Å; D23-E26 VanDerWaalsContact O-N 3.08Å; D23-C27 PolarHBondContact O-N 3.16Å
24	E	73.3	Confident	79.8	Confident	107 Å²	107	86.1 Å²	86.1	50%	0.5	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.2	178.4	-67	-175.1	171.7	0	0	112.6	E26 P50 A51	E24-E26 VanDerWaalsContact C-N 3.32Å; E24-P50 WeakPolarHBondContact OE1-CA 2.86Å; E24-A51 HydrophobicContact CB-CB 4.4Å; E24-A51 HydrophobicContact CG-CB 3.25Å; E24-A51 PolarHBondContact OE1-N 3.09Å
25	S	74.8	Confident	78.8	Confident	99 Å²	99	85.8 Å²	85.8	69%	0.692	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-27	176.4	76.6	0	0	0	0	112.7	D23	D23-S25 PolarHBondContact O-N 2.9Å; D23-S25 WeakPolarHBondContact OD1-CB 3.41Å; D23-S25 PolarHBondContact OD1-N 2.69Å; D23-S25 PolarHBondContact OD1-OG 2.81Å; D23-S25 PolarHBondContact OD2-OG 2.84Å
26	E	74	Confident	78	Confident	161 Å²	161	89.7 Å²	89.7	75%	0.752	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-31.4	179.8	-61.5	-169.4	165.5	0	0	112.6	D23 E24	D23-E26 HydrophobicContact CB-CB 4.34Å; D23-E26 HydrophobicContact CB-CG 4.27Å; D23-E26 PolarHBondContact O-N 2.03Å; D23-E26 VanDerWaalsContact O-N 3.08Å; E24-E26 VanDerWaalsContact C-N 3.32Å
27	C	71.6	Confident	76.9	Confident	70 Å²	70	88.4 Å²	88.4	47%	0.473	50%	0.504	S	S	.	.			trans	-138.5	103	-172.5	-84.7	0	0	0	0	111.7	V22 D23	V22-C27 HydrophobicContact CG1-CB 3.54Å; D23-C27 PolarHBondContact O-N 3.16Å
28	I	74.3	Confident	75.8	Confident	130 Å²	130	87.6 Å²	87.6	67%	0.667	51%	0.508	S	S	*	.			trans	-90.3	121.2	171.7	-54.5	173.2	0	0	0	108.4	K30	I28-K30 HydrophobicContact CG2-CD 4.42Å; I28-K30 HydrophobicContact CG2-CG 4.03Å
29	S	80.1	Confident	74.5	Confident	42 Å²	42	94.7 Å²	94.7	29%	0.294	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.6	174.6	-66.3	0	0	0	0	110.6	V49 I54	S29-V49 PolarHBondContact O-N 3.33Å; S29-I54 WeakPolarHBondContact OG-CD1 3.26Å
30	K	85.2	Confident	73.7	Confident	104 Å²	104	92.7 Å²	92.7	45%	0.452	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149	-178.8	-56	-177.5	-180	-179.1	0	110.6	I28 E46 I47	I28-K30 HydrophobicContact CG2-CD 4.42Å; I28-K30 HydrophobicContact CG2-CG 4.03Å; K30-E46 HydrophobicContact CD-CB 4.3Å; K30-E46 VanDerWaalsContact CD-OE2 3.29Å; K30-E46 WeakPolarHBondContact CD-OE2 3.2Å; K30-E46 IonicContact NZ-OE2 2.75Å; K30-E46 PolarHBondContact NZ-OE2 2.86Å; K30-I47 CarbonylContact C-O 3.58Å; K30-I47 VanDerWaalsContact CA-O 3.31Å; K30-I47 WeakPolarHBondContact CA-O 3.39Å
31	I	84.1	Confident	73.2	Confident	34 Å²	34	91.2 Å²	91.2	17%	0.174	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117	165.6	-55.5	170.3	0	0	0	106.7	L13 E46 I47 V49 Y62	L13-I31 HydrophobicContact CD1-CD1 3.76Å; L13-I31 HydrophobicContact CD1-CG1 4.12Å; I31-E46 CarbonylContact O-C 3.55Å; I31-E46 WeakPolarHBondContact O-CA 3.39Å; I31-I47 HydrophobicContact CB-CB 4.29Å; I31-I47 PolarHBondContact N-O 2.87Å; I31-I47 PolarHBondContact O-N 3.38Å; I31-V49 HydrophobicContact CD1-CG2 4.13Å; I31-V49 HydrophobicContact CG1-CG2 3.78Å; I31-Y62 HydrophobicContact CD1-CD2 3.93Å; I31-Y62 HydrophobicContact CD1-CE1 4.32Å; I31-Y62 HydrophobicContact CD1-CE2 3.57Å; I31-Y62 HydrophobicContact CD1-CG 4.47Å
32	N	82.9	Confident	73	Confident	102 Å²	102	90.4 Å²	90.4	55%	0.545	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.9	176.6	-71.1	4.8	0	0	0	109.6	H45 E46	N32-H45 CarbonylContact C-O 3.54Å; N32-H45 WeakPolarHBondContact CA-O 3.42Å; N32-E46 PolarHBondContact ND2-OE1 3.49Å; N32-E46 WeakPolarHBondContact OD1-CG 3.32Å
33	A	77.5	Confident	72.6	Confident	39 Å²	39	90.1 Å²	90.1	32%	0.322	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.8	175.7	0	0	0	0	0	109.2	D44 H45	A33-D44 CarbonylContact O-C 3.57Å; A33-D44 WeakPolarHBondContact O-CA 3.07Å; A33-H45 HydrophobicContact CB-CB 4.45Å; A33-H45 PolarHBondContact N-O 3.17Å; A33-H45 PolarHBondContact O-N 3.35Å
34	T	75.9	Confident	72.4	Confident	89 Å²	89	91.9 Å²	91.9	55%	0.546	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.5	169.8	-57.2	0	0	0	0	108	F42 I43 D44	T34-F42 HydrophobicContact CG2-CB 4.08Å; T34-F42 HydrophobicContact CG2-CD1 3.71Å; T34-F42 HydrophobicContact CG2-CG 4.27Å; T34-I43 CarbonylContact C-O 3.55Å; T34-I43 WeakPolarHBondContact CA-O 3.35Å; T34-D44 VanDerWaalsContact CB-OD1 3.32Å; T34-D44 WeakPolarHBondContact CB-OD1 3.35Å; T34-D44 VanDerWaalsContact CG2-OD1 3.27Å; T34-D44 WeakPolarHBondContact CG2-OD1 3.37Å; T34-D44 PolarHBondContact OG1-OD1 2.96Å
35	L	72.6	Confident	72.5	Confident	89 Å²	89	90.1 Å²	90.1	47%	0.466	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.5	178.2	-59.5	166.1	0	0	0	108.9	F42 I43	L35-F42 CarbonylContact O-C 3.57Å; L35-F42 WeakPolarHBondContact O-CA 3.33Å; L35-I43 HydrophobicContact CB-CB 4.28Å; L35-I43 PolarHBondContact N-O 3.43Å; L35-I43 PolarHBondContact O-N 3.43Å
36	S	72.1	Confident	72.7	Confident	93 Å²	93	90 Å²	90	65%	0.65	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.9	171.6	-171.2	0	0	0	0	109.3
37	C	67.6	Low	73.1	Confident	40 Å²	40	85.6 Å²	85.6	27%	0.27	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.8	176.6	-64.6	0	0	0	0	108.9	F39 Q40 G41	C37-F39 PolarHBondContact O-N 3.26Å; C37-Q40 HydrophobicContact CB-CB 4.23Å; C37-Q40 PolarHBondContact O-N 3.41Å; C37-G41 PolarHBondContact N-O 3.34Å; C37-G41 PolarHBondContact O-N 3.4Å
38	S	65.6	Low	73.7	Confident	112 Å²	112	86.7 Å²	86.7	78%	0.783	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.2	-174.8	45.4	0	0	0	0	115.1
39	F	55.9	Low	74.1	Confident	193 Å²	193	81 Å²	81	85%	0.846	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-13.4	-178.1	-60.4	-77.1	0	0	0	114.5	C37	C37-F39 PolarHBondContact O-N 3.26Å
40	Q	58.4	Low	74.4	Confident	92 Å²	92	80.7 Å²	80.7	43%	0.43	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-2.7	-166	-142.5	165.4	4.7	0	0	113.5	C37	C37-Q40 HydrophobicContact CB-CB 4.23Å; C37-Q40 PolarHBondContact O-N 3.41Å
41	G	67	Low	74.4	Confident	38 Å²	38	76 Å²	76	39%	0.392	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.6	-140.1	-176.5	0	0	0	0	0	111.5	C37	C37-G41 PolarHBondContact N-O 3.34Å; C37-G41 PolarHBondContact O-N 3.4Å
42	F	68.6	Low	74.4	Confident	146 Å²	146	81.3 Å²	81.3	64%	0.64	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.7	176.1	-61.5	-81.3	0	0	0	109.7	T34 L35	T34-F42 HydrophobicContact CG2-CB 4.08Å; T34-F42 HydrophobicContact CG2-CD1 3.71Å; T34-F42 HydrophobicContact CG2-CG 4.27Å; L35-F42 CarbonylContact O-C 3.57Å; L35-F42 WeakPolarHBondContact O-CA 3.33Å
43	I	66.4	Low	74.6	Confident	33 Å²	33	81.7 Å²	81.7	17%	0.169	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.2	170.2	-56.4	173.1	0	0	0	106.7	T34 L35	T34-I43 CarbonylContact C-O 3.55Å; T34-I43 WeakPolarHBondContact CA-O 3.35Å; L35-I43 HydrophobicContact CB-CB 4.28Å; L35-I43 PolarHBondContact N-O 3.43Å; L35-I43 PolarHBondContact O-N 3.43Å
44	D	73.4	Confident	75	Confident	117 Å²	117	80.2 Å²	80.2	63%	0.626	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.6	173	-67.1	-39.7	0	0	0	109.5	A33 T34	A33-D44 CarbonylContact O-C 3.57Å; A33-D44 WeakPolarHBondContact O-CA 3.07Å; T34-D44 VanDerWaalsContact CB-OD1 3.32Å; T34-D44 WeakPolarHBondContact CB-OD1 3.35Å; T34-D44 VanDerWaalsContact CG2-OD1 3.27Å; T34-D44 WeakPolarHBondContact CG2-OD1 3.37Å; T34-D44 PolarHBondContact OG1-OD1 2.96Å
45	H	74	Confident	75.6	Confident	70 Å²	70	80.7 Å²	80.7	32%	0.324	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134	176.8	-149.3	-40.5	0	0	0	109.6	N32 A33	N32-H45 CarbonylContact C-O 3.54Å; N32-H45 WeakPolarHBondContact CA-O 3.42Å; A33-H45 HydrophobicContact CB-CB 4.45Å; A33-H45 PolarHBondContact N-O 3.17Å; A33-H45 PolarHBondContact O-N 3.35Å
46	E	80.3	Confident	76.4	Confident	96 Å²	96	79.4 Å²	79.4	45%	0.449	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.2	172.3	-54	-162.4	142.8	0	0	109.3	K30 I31 N32	K30-E46 HydrophobicContact CD-CB 4.3Å; K30-E46 VanDerWaalsContact CD-OE2 3.29Å; K30-E46 WeakPolarHBondContact CD-OE2 3.2Å; K30-E46 IonicContact NZ-OE2 2.75Å; K30-E46 PolarHBondContact NZ-OE2 2.86Å; I31-E46 CarbonylContact O-C 3.55Å; I31-E46 WeakPolarHBondContact O-CA 3.39Å; N32-E46 PolarHBondContact ND2-OE1 3.49Å; N32-E46 WeakPolarHBondContact OD1-CG 3.32Å
47	I	82.6	Confident	77.3	Confident	68 Å²	68	77.1 Å²	77.1	35%	0.349	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.6	171.1	-56.1	174.4	0	0	0	107.3	K30 I31 Y62	K30-I47 CarbonylContact C-O 3.58Å; K30-I47 VanDerWaalsContact CA-O 3.31Å; K30-I47 WeakPolarHBondContact CA-O 3.39Å; I31-I47 HydrophobicContact CB-CB 4.29Å; I31-I47 PolarHBondContact N-O 2.87Å; I31-I47 PolarHBondContact O-N 3.38Å; I47-Y62 HydrophobicContact CG2-CE1 4.04Å
48	P	82.9	Confident	78.4	Confident	94 Å²	94	77.4 Å²	77.4	61%	0.61	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.8	177.3	26.9	-32.2	0	0	0	110.7
49	V	83.7	Confident	79.8	Confident	10 Å²	10	76.8 Å²	76.8	6%	0.061	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108	172.9	-173.2	0	0	0	0	107.5	F15 S29 I31 A51 I54 Y62	F15-V49 HydrophobicContact CZ-CG1 4.32Å; S29-V49 PolarHBondContact O-N 3.33Å; I31-V49 HydrophobicContact CD1-CG2 4.13Å; I31-V49 HydrophobicContact CG1-CG2 3.78Å; V49-A51 PolarHBondContact O-N 3.12Å; V49-I54 HydrophobicContact CB-CD1 4.45Å; V49-I54 HydrophobicContact CG1-CD1 4.05Å; V49-I54 HydrophobicContact CG1-CG1 4Å; V49-Y62 WeakPolarHBondContact CG2-OH 3.09Å
50	P	85.3	Confident	81.4	Confident	35 Å²	35	68.3 Å²	68.3	23%	0.227	36%	0.364	C	S	.	.			trans	-55.1	131.1	178	-25.9	33.7	0	0	0	111.3	E24 K52 W53	E24-P50 WeakPolarHBondContact OE1-CA 2.86Å; P50-K52 HydrophobicContact CB-CD 4.49Å; P50-K52 HydrophobicContact CB-CG 3.84Å; P50-K52 PolarHBondContact O-N 3.4Å; P50-K52 VanDerWaalsContact O-N 3.17Å; P50-W53 HydrophobicContact CB-CD2 4.24Å; P50-W53 HydrophobicContact CB-CG 4.4Å; P50-W53 HydrophobicContact CG-CD2 4.09Å; P50-W53 HydrophobicContact CG-CE3 4.11Å; P50-W53 HydrophobicContact CG-CH2 4.28Å; P50-W53 HydrophobicContact CG-CZ2 4.28Å; P50-W53 HydrophobicContact CG-CZ3 4.2Å; P50-W53 WeakPolarHBondContact O-CB 3.14Å; P50-W53 PolarHBondContact O-N 3.18Å
51	A	85	Confident	83	Confident	6 Å²	6	68.5 Å²	68.5	5%	0.05	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-64.4	-26.4	-176.1	0	0	0	0	0	112.3	V22 E24 V49 W53 I54	V22-A51 HydrophobicContact CB-CB 3.93Å; V22-A51 HydrophobicContact CG1-CB 3.78Å; V22-A51 VanDerWaalsContact O-CB 3.27Å; V22-A51 WeakPolarHBondContact O-CB 3Å; E24-A51 HydrophobicContact CB-CB 4.4Å; E24-A51 HydrophobicContact CG-CB 3.25Å; E24-A51 PolarHBondContact OE1-N 3.09Å; V49-A51 PolarHBondContact O-N 3.12Å; A51-W53 PolarHBondContact O-N 3.02Å; A51-I54 WeakPolarHBondContact O-CB 3.24Å; A51-I54 PolarHBondContact O-N 2.83Å
52	K	85.8	Confident	84	Confident	146 Å²	146	68.7 Å²	68.7	64%	0.635	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-56.2	-22	171.5	64.3	178	178.1	-172.3	0	113.9	P50 K55	P50-K52 HydrophobicContact CB-CD 4.49Å; P50-K52 HydrophobicContact CB-CG 3.84Å; P50-K52 PolarHBondContact O-N 3.4Å; P50-K52 VanDerWaalsContact O-N 3.17Å; K52-K55 WeakPolarHBondContact O-CE 3.44Å
53	W	86.5	Confident	84.8	Confident	109 Å²	109	68.5 Å²	68.5	41%	0.413	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-88.3	-16.3	175.6	-61.4	-12.8	0	0	0	113	P50 A51 K55 T58 V60	P50-W53 HydrophobicContact CB-CD2 4.24Å; P50-W53 HydrophobicContact CB-CG 4.4Å; P50-W53 HydrophobicContact CG-CD2 4.09Å; P50-W53 HydrophobicContact CG-CE3 4.11Å; P50-W53 HydrophobicContact CG-CH2 4.28Å; P50-W53 HydrophobicContact CG-CZ2 4.28Å; P50-W53 HydrophobicContact CG-CZ3 4.2Å; P50-W53 WeakPolarHBondContact O-CB 3.14Å; P50-W53 PolarHBondContact O-N 3.18Å; A51-W53 PolarHBondContact O-N 3.02Å; W53-K55 PolarHBondContact O-N 2.82Å; W53-K55 VanDerWaalsContact O-N 3.09Å; W53-T58 WeakPolarHBondContact O-CG2 3.49Å; W53-V60 HydrophobicContact CB-CG2 3.91Å; W53-V60 HydrophobicContact CE3-CG1 3.9Å; W53-V60 HydrophobicContact CZ3-CG1 4.33Å
54	I	86.4	Confident	85.2	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.041	38%	0.375	C	S	.	.			trans	-90	75.4	-174.6	-52.8	178.8	0	0	0	108.8	F15 I18 V22 S29 V49 A51	F15-I54 HydrophobicContact CD1-CB 4.45Å; F15-I54 HydrophobicContact CD1-CG2 3.68Å; F15-I54 HydrophobicContact CE1-CB 4.41Å; F15-I54 HydrophobicContact CE1-CG1 4.07Å; F15-I54 HydrophobicContact CE1-CG2 3.86Å; F15-I54 HydrophobicContact CG-CG2 4.28Å; F15-I54 HydrophobicContact CZ-CG1 4.06Å; I18-I54 HydrophobicContact CD1-CG2 4.41Å; I18-I54 HydrophobicContact CG1-CG2 4.44Å; V22-I54 HydrophobicContact CG2-CB 4.3Å; V22-I54 HydrophobicContact CG2-CG2 3.9Å; S29-I54 WeakPolarHBondContact OG-CD1 3.26Å; V49-I54 HydrophobicContact CB-CD1 4.45Å; V49-I54 HydrophobicContact CG1-CD1 4.05Å; V49-I54 HydrophobicContact CG1-CG1 4Å; A51-I54 WeakPolarHBondContact O-CB 3.24Å; A51-I54 PolarHBondContact O-N 2.83Å
55	K	87.3	Confident	85.1	Confident	99 Å²	99	73.6 Å²	73.6	43%	0.43	38%	0.384	S	S	.	.			trans	-123.2	143.5	176.5	-57.7	-175.5	179.8	-166.6	0	109.9	F15 K52 W53 G57 T58	F15-K55 WeakPolarHBondContact CB-O 3.27Å; K52-K55 WeakPolarHBondContact O-CE 3.44Å; W53-K55 PolarHBondContact O-N 2.82Å; W53-K55 VanDerWaalsContact O-N 3.09Å; K55-G57 PolarHBondContact O-N 2Å; K55-T58 VanDerWaalsContact O-CB 3.26Å; K55-T58 WeakPolarHBondContact O-CB 3.45Å; K55-T58 PolarHBondContact O-N 3.39Å; K55-T58 PolarHBondContact O-OG1 2.81Å
56	S	90.2	Very high	84.3	Confident	62 Å²	62	72.4 Å²	72.4	43%	0.434	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.6	176.5	-156.6	0	0	0	0	110	F15 N17	F15-S56 CarbonylContact O-C 3.55Å; F15-S56 WeakPolarHBondContact O-CA 3.32Å; N17-S56 PolarHBondContact N-OG 2.98Å; N17-S56 VanDerWaalsContact N-OG 3.1Å
57	G	90.8	Very high	83.1	Confident	45 Å²	45	73.7 Å²	73.7	46%	0.464	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-0.4	-175.5	0	0	0	0	0	115.4	F15 K55	F15-G57 PolarHBondContact O-N 3.34Å; K55-G57 PolarHBondContact O-N 2Å
58	T	91.5	Very high	81.6	Confident	47 Å²	47	75.4 Å²	75.4	29%	0.288	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137.4	-179.3	-58	0	0	0	0	112.2	Y14 F15 W53 K55 V60	Y14-T58 WeakPolarHBondContact CD2-O 3.41Å; F15-T58 PolarHBondContact N-O 3.36Å; W53-T58 WeakPolarHBondContact O-CG2 3.49Å; K55-T58 VanDerWaalsContact O-CB 3.26Å; K55-T58 WeakPolarHBondContact O-CB 3.45Å; K55-T58 PolarHBondContact O-N 3.39Å; K55-T58 PolarHBondContact O-OG1 2.81Å; T58-V60 HydrophobicContact CG2-CG2 4.13Å
59	L	93	Very high	79.8	Confident	99 Å²	99	72.3 Å²	72.3	52%	0.518	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.8	168.8	180	65.4	0	0	0	109.5	Y14 E61	Y14-L59 HydrophobicContact CD2-CB 4.32Å; L59-E61 HydrophobicContact CD2-CG 4.26Å; L59-E61 HydrophobicContact CG-CG 4.03Å
60	V	90.8	Very high	78.1	Confident	14 Å²	14	76.1 Å²	76.1	9%	0.085	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.8	173.1	-177.5	0	0	0	0	108.6	S12 L13 F15 W53 T58 Y62	S12-V60 WeakPolarHBondContact CA-O 3.12Å; L13-V60 PolarHBondContact N-O 3.23Å; L13-V60 PolarHBondContact O-N 2.97Å; F15-V60 HydrophobicContact CD2-CG2 4.2Å; F15-V60 HydrophobicContact CE2-CB 4.17Å; F15-V60 HydrophobicContact CE2-CG2 3.69Å; W53-V60 HydrophobicContact CB-CG2 3.91Å; W53-V60 HydrophobicContact CE3-CG1 3.9Å; W53-V60 HydrophobicContact CZ3-CG1 4.33Å; T58-V60 HydrophobicContact CG2-CG2 4.13Å; V60-Y62 HydrophobicContact CB-CE2 4.42Å; V60-Y62 HydrophobicContact CG1-CD2 4.18Å; V60-Y62 HydrophobicContact CG1-CE2 3.45Å; V60-Y62 VanDerWaalsContact CG1-CE2 3.45Å
61	E	91.7	Very high	76.2	Confident	97 Å²	97	81.3 Å²	81.3	45%	0.453	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.5	-178.8	-57	-162.5	107.8	0	0	110.7	K10 I11 S12 L59	K10-E61 WeakPolarHBondContact CE-OE1 3.42Å; K10-E61 WeakPolarHBondContact CE-OE2 3.02Å; K10-E61 IonicContact NZ-OE1 2.79Å; K10-E61 PolarHBondContact NZ-OE1 3.15Å; K10-E61 IonicContact NZ-OE2 2.69Å; K10-E61 PolarHBondContact NZ-OE2 2.78Å; I11-E61 CarbonylContact O-C 3.55Å; I11-E61 WeakPolarHBondContact O-CA 3.38Å; S12-E61 PolarHBondContact OG-OE1 3.14Å; S12-E61 VanDerWaalsContact OG-OE1 3.08Å; L59-E61 HydrophobicContact CD2-CG 4.26Å; L59-E61 HydrophobicContact CG-CG 4.03Å
62	Y	88.3	Confident	74.6	Confident	41 Å²	41	83.6 Å²	83.6	16%	0.161	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.8	175	-63.1	-97.4	0	0	0	108.7	K10 I11 L13 I31 I47 V49 V60	K10-Y62 WeakPolarHBondContact CA-O 3.47Å; K10-Y62 WeakPolarHBondContact CG-O 3.36Å; I11-Y62 PolarHBondContact N-O 2.69Å; I11-Y62 PolarHBondContact O-N 2.83Å; L13-Y62 HydrophobicContact CD1-CE2 4.22Å; I31-Y62 HydrophobicContact CD1-CD2 3.93Å; I31-Y62 HydrophobicContact CD1-CE1 4.32Å; I31-Y62 HydrophobicContact CD1-CE2 3.57Å; I31-Y62 HydrophobicContact CD1-CG 4.47Å; I47-Y62 HydrophobicContact CG2-CE1 4.04Å; V49-Y62 WeakPolarHBondContact CG2-OH 3.09Å; V60-Y62 HydrophobicContact CB-CE2 4.42Å; V60-Y62 HydrophobicContact CG1-CD2 4.18Å; V60-Y62 HydrophobicContact CG1-CE2 3.45Å; V60-Y62 VanDerWaalsContact CG1-CE2 3.45Å
63	E	84.1	Confident	73	Confident	142 Å²	142	81.7 Å²	81.7	66%	0.664	44%	0.436	S	S	*	.			trans	-112.9	149.8	172.4	66	179	-173	0	0	110.7	I65	E63-I65 HydrophobicContact CG-CG1 4.15Å; E63-I65 PolarHBondContact O-N 2.69Å
64	V	75.8	Confident	71.9	Confident	99 Å²	99	82 Å²	82	60%	0.6	45%	0.445	S	S	*	.			trans	-79.1	106.2	176.8	-179.9	0	0	0	0	107.9	G66	V64-G66 VanDerWaalsContact C-N 3.28Å; V64-G66 WeakPolarHBondContact CG1-O 3.47Å; V64-G66 PolarHBondContact O-N 2.79Å
65	I	70.4	Confident	71.1	Confident	159 Å²	159	86.3 Å²	86.3	82%	0.815	46%	0.464	S	S	*	.			trans	-80.1	-11.2	-177.5	-59.4	173.8	0	0	0	111.9	E63	E63-I65 HydrophobicContact CG-CG1 4.15Å; E63-I65 PolarHBondContact O-N 2.69Å
66	G	58.8	Low	70.3	Confident	45 Å²	45	87.4 Å²	87.4	46%	0.464	47%	0.47	S	S	.	.	S	Bend	trans	-170.2	169	179.5	0	0	0	0	0	113.5	V64 L68	V64-G66 VanDerWaalsContact C-N 3.28Å; V64-G66 WeakPolarHBondContact CG1-O 3.47Å; V64-G66 PolarHBondContact O-N 2.79Å; G66-L68 PolarHBondContact O-N 3.11Å
67	T	53.6	Low	69.3	Low	123 Å²	123	86.5 Å²	86.5	76%	0.755	46%	0.463	S	S	*	.			trans	-88	105.4	168.6	36.8	0	0	0	0	107.6	S69	T67-S69 PolarHBondContact O-N 2.9Å; T67-S69 PolarHBondContact O-OG 3.02Å
68	L	51.3	Low	68.2	Low	104 Å²	104	84.4 Å²	84.4	55%	0.545	44%	0.441	S	S	.	.			trans	-53.6	103.7	172	-83.1	153.8	0	0	0	108.3	G66 F70	G66-L68 PolarHBondContact O-N 3.11Å; L68-F70 HydrophobicContact CB-CD2 3.66Å; L68-F70 HydrophobicContact CB-CE2 3.66Å; L68-F70 HydrophobicContact CD1-CE2 3.88Å; L68-F70 HydrophobicContact CD2-CD2 4.49Å; L68-F70 HydrophobicContact CD2-CE2 3.84Å; L68-F70 HydrophobicContact CD2-CZ 4.08Å; L68-F70 HydrophobicContact CG-CD2 4.48Å; L68-F70 HydrophobicContact CG-CE2 3.99Å; L68-F70 PolarHBondContact O-N 2.84Å
69	S	45.5	Very low	67.1	Low	28 Å²	28	87.5 Å²	87.5	20%	0.196	45%	0.452	C	S	.	.			trans	-80.7	55	-178.4	-71.2	0	0	0	0	110	T67 H71	T67-S69 PolarHBondContact O-N 2.9Å; T67-S69 PolarHBondContact O-OG 3.02Å; S69-H71 PolarHBondContact O-N 3.39Å
70	F	47.5	Very low	66.1	Low	91 Å²	91	91 Å²	91	40%	0.399	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16	174.7	-79.3	-69.4	0	0	0	113.1	L68 R72	L68-F70 HydrophobicContact CB-CD2 3.66Å; L68-F70 HydrophobicContact CB-CE2 3.66Å; L68-F70 HydrophobicContact CD1-CE2 3.88Å; L68-F70 HydrophobicContact CD2-CD2 4.49Å; L68-F70 HydrophobicContact CD2-CE2 3.84Å; L68-F70 HydrophobicContact CD2-CZ 4.08Å; L68-F70 HydrophobicContact CG-CD2 4.48Å; L68-F70 HydrophobicContact CG-CE2 3.99Å; L68-F70 PolarHBondContact O-N 2.84Å; F70-R72 VanDerWaalsContact C-N 3.29Å; F70-R72 PolarHBondContact O-N 3.5Å
71	H	46.4	Very low	65	Low	143 Å²	143	90.5 Å²	90.5	66%	0.662	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	6.6	-174.2	-77	-56.6	0	0	0	116.3	S69 N73	S69-H71 PolarHBondContact O-N 3.39Å; H71-N73 PolarHBondContact O-N 2.91Å
72	R	50.1	Low	63.9	Low	55 Å²	55	89 Å²	89	21%	0.208	45%	0.452	C	S	.	.			trans	-102.6	41.1	-168.3	-54.6	-167.1	-176.9	-131.8	12.9	113.8	F70 L74 T77 C78 R80 A81 W90 C97	F70-R72 VanDerWaalsContact C-N 3.29Å; F70-R72 PolarHBondContact O-N 3.5Å; R72-L74 PolarHBondContact O-N 2.91Å; R72-T77 HydrophobicContact CB-CG2 4.2Å; R72-T77 WeakPolarHBondContact CD-O 3.31Å; R72-T77 HydrophobicContact CG-CG2 3.62Å; R72-T77 PolarHBondContact NH1-O 3.36Å; R72-C78 HydrophobicContact CB-CB 4.42Å; R72-R80 PolarHBondContact NH1-O 3.44Å; R72-A81 VanDerWaalsContact NE-CB 3.27Å; R72-W90 WeakPolarHBondContact O-CZ3 3.43Å; R72-C97 HydrophobicContact CB-CB 4.06Å
73	N	53.4	Low	63.1	Low	106 Å²	106	90.8 Å²	90.8	57%	0.567	47%	0.468	S	S	*	.			trans	-59.5	13	169	-68.1	-5.8	0	0	0	114.3	H71	H71-N73 PolarHBondContact O-N 2.91Å
74	L	62.4	Low	62.5	Low	116 Å²	116	91.2 Å²	91.2	61%	0.607	48%	0.481	S	S	*	.	S	Bend	trans	-128.3	121.7	176.9	-84.7	150	0	0	0	107.5	R72 E76 T77 C78	R72-L74 PolarHBondContact O-N 2.91Å; L74-E76 PolarHBondContact O-N 2.95Å; L74-E76 VanDerWaalsContact O-N 3.15Å; L74-T77 WeakPolarHBondContact O-CA 3.28Å; L74-T77 WeakPolarHBondContact O-CB 3.36Å; L74-T77 PolarHBondContact O-N 3.48Å; L74-C78 PolarHBondContact O-N 3.44Å
75	F	69.4	Low	62.4	Low	98 Å²	98	95.2 Å²	95.2	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-40.9	-49	175.3	171.3	-101.2	0	0	0	113.1	T77 C78 Q79 W90	F75-T77 VanDerWaalsContact C-N 3.27Å; F75-T77 PolarHBondContact O-N 3.24Å; F75-C78 WeakPolarHBondContact O-CB 3.22Å; F75-C78 PolarHBondContact O-N 2.84Å; F75-C78 VanDerWaalsContact O-N 3.16Å; F75-Q79 HydrophobicContact CE2-CG 4.49Å; F75-Q79 HydrophobicContact CZ-CG 4.44Å; F75-Q79 PolarHBondContact O-N 2.79Å; F75-W90 HydrophobicContact CB-CD2 4.29Å; F75-W90 HydrophobicContact CB-CG 4.28Å; F75-W90 HydrophobicContact CD2-CB 3.72Å; F75-W90 AromaticContact CD2-CD1 3.57Å; F75-W90 HydrophobicContact CD2-CD2 4.48Å; F75-W90 AromaticContact CD2-CG 3.64Å; F75-W90 HydrophobicContact CD2-CG 3.64Å; F75-W90 HydrophobicContact CE2-CB 4.3Å; F75-W90 HydrophobicContact CG-CG 4.45Å
76	E	70.3	Confident	62.3	Low	121 Å²	121	89.4 Å²	89.4	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-62.3	-35.3	-179.9	-64.1	-173.3	179.5	0	0	113.4	L74 R80	L74-E76 PolarHBondContact O-N 2.95Å; L74-E76 VanDerWaalsContact O-N 3.15Å; E76-R80 WeakPolarHBondContact O-CG 3.38Å; E76-R80 PolarHBondContact O-N 2.87Å; E76-R80 PolarHBondContact O-NE 2.99Å; E76-R80 IonicContact OE2-NH2 3.18Å; E76-R80 PolarHBondContact OE2-NH2 3.03Å
77	T	69.3	Low	63.1	Low	44 Å²	44	90.6 Å²	90.6	27%	0.27	46%	0.458	S	S	.	.	H	α-helix	trans	-73.9	-43.1	178.2	-45.8	0	0	0	0	108.2	R72 L74 F75 Q79 R80 A81	R72-T77 HydrophobicContact CB-CG2 4.2Å; R72-T77 WeakPolarHBondContact CD-O 3.31Å; R72-T77 HydrophobicContact CG-CG2 3.62Å; R72-T77 PolarHBondContact NH1-O 3.36Å; L74-T77 WeakPolarHBondContact O-CA 3.28Å; L74-T77 WeakPolarHBondContact O-CB 3.36Å; L74-T77 PolarHBondContact O-N 3.48Å; F75-T77 VanDerWaalsContact C-N 3.27Å; F75-T77 PolarHBondContact O-N 3.24Å; T77-Q79 VanDerWaalsContact C-N 3.32Å; T77-Q79 PolarHBondContact O-N 3.34Å; T77-R80 CarbonylContact O-C 3.58Å; T77-R80 PolarHBondContact O-N 2.85Å; T77-R80 VanDerWaalsContact O-N 3.14Å; T77-A81 PolarHBondContact O-N 3.19Å; T77-A81 VanDerWaalsContact O-N 3.14Å
78	C	68.4	Low	64	Low	0 Å²	0	85.2 Å²	85.2	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-54.6	-46.4	175.6	-173.9	0	0	0	0	112.1	R72 L74 F75 R80 A81 C88 W90 C97	R72-C78 HydrophobicContact CB-CB 4.42Å; L74-C78 PolarHBondContact O-N 3.44Å; F75-C78 WeakPolarHBondContact O-CB 3.22Å; F75-C78 PolarHBondContact O-N 2.84Å; F75-C78 VanDerWaalsContact O-N 3.16Å; C78-R80 PolarHBondContact O-N 2.93Å; C78-A81 WeakPolarHBondContact O-CB 3.47Å; C78-A81 PolarHBondContact O-N 2.72Å; C78-C88 WeakPolarHBondContact O-CB 3.33Å; C78-W90 HydrophobicContact CB-CB 4.41Å; C78-W90 HydrophobicContact CB-CE3 3.79Å; C78-C97 WeakPolarHBondContact CA-SG 3.12Å; C78-C97 HydrophobicContact CB-CB 3.64Å; C78-C97 WeakPolarHBondContact CB-SG 3.29Å; C78-C97 VanDerWaalsContact SG-CA 3.52Å; C78-C97 WeakPolarHBondContact SG-CB 3.25Å; C78-C97 CovalentContact SG-SG 2.03Å; C78-C97 PolarHBondContact SG-SG 3.26Å
79	Q	69.4	Low	65.2	Low	112 Å²	112	83.1 Å²	83.1	52%	0.523	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-39.9	177.3	-69.6	-164.6	-8.2	0	0	113.2	F75 T77 A81 T82	F75-Q79 HydrophobicContact CE2-CG 4.49Å; F75-Q79 HydrophobicContact CZ-CG 4.44Å; F75-Q79 PolarHBondContact O-N 2.79Å; T77-Q79 VanDerWaalsContact C-N 3.32Å; T77-Q79 PolarHBondContact O-N 3.34Å; Q79-A81 PolarHBondContact O-N 2.94Å; Q79-T82 PolarHBondContact O-N 3.47Å
80	R	71	Confident	66.8	Low	174 Å²	174	84 Å²	84	66%	0.657	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.4	174.6	-77.5	-176.1	-90.8	176	-13	113.7	R72 E76 T77 C78	R72-R80 PolarHBondContact NH1-O 3.44Å; E76-R80 WeakPolarHBondContact O-CG 3.38Å; E76-R80 PolarHBondContact O-N 2.87Å; E76-R80 PolarHBondContact O-NE 2.99Å; E76-R80 IonicContact OE2-NH2 3.18Å; E76-R80 PolarHBondContact OE2-NH2 3.03Å; T77-R80 CarbonylContact O-C 3.58Å; T77-R80 PolarHBondContact O-N 2.85Å; T77-R80 VanDerWaalsContact O-N 3.14Å; C78-R80 PolarHBondContact O-N 2.93Å
81	A	67.3	Low	67.9	Low	2 Å²	2	79.7 Å²	79.7	2%	0.017	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-23.6	179.9	0	0	0	0	0	112.5	R72 T77 C78 Q79 T83 C88	R72-A81 VanDerWaalsContact NE-CB 3.27Å; T77-A81 PolarHBondContact O-N 3.19Å; T77-A81 VanDerWaalsContact O-N 3.14Å; C78-A81 WeakPolarHBondContact O-CB 3.47Å; C78-A81 PolarHBondContact O-N 2.72Å; Q79-A81 PolarHBondContact O-N 2.94Å; A81-T83 WeakPolarHBondContact O-CG2 3.49Å; A81-T83 PolarHBondContact O-N 2.77Å; A81-T83 VanDerWaalsContact O-N 3.09Å; A81-C88 HydrophobicContact CB-CB 3.81Å; A81-C88 VanDerWaalsContact CB-SG 3.51Å
82	T	70.2	Confident	69.2	Low	65 Å²	65	80 Å²	80	40%	0.399	40%	0.399	S	S	.	.			trans	-59.5	116.5	-179.7	-63.6	0	0	0	0	109.2	Q79 M86 T87 C88	Q79-T82 PolarHBondContact O-N 3.47Å; T82-M86 CarbonylContact C-O 3.58Å; T82-M86 WeakPolarHBondContact CA-O 3.4Å; T82-T87 HydrophobicContact CG2-CG2 4.26Å; T82-C88 PolarHBondContact OG1-N 3.32Å; T82-C88 VanDerWaalsContact OG1-N 3.12Å
83	T	71.3	Confident	70.1	Confident	80 Å²	80	84.6 Å²	84.6	49%	0.491	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-109.5	172.5	171.3	66.9	0	0	0	0	108.9	A81 K85 M86	A81-T83 WeakPolarHBondContact O-CG2 3.49Å; A81-T83 PolarHBondContact O-N 2.77Å; A81-T83 VanDerWaalsContact O-N 3.09Å; T83-K85 PolarHBondContact O-N 3.49Å; T83-K85 VanDerWaalsContact O-N 3.08Å; T83-K85 PolarHBondContact OG1-N 2.81Å; T83-M86 PolarHBondContact N-O 3.18Å; T83-M86 PolarHBondContact O-N 3.05Å; T83-M86 PolarHBondContact OG1-N 2.99Å
84	T	71.5	Confident	70.7	Confident	151 Å²	151	81 Å²	81	93%	0.926	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.6	174.8	48.8	0	0	0	0	113.8
85	K	73.1	Confident	71.2	Confident	182 Å²	182	80.8 Å²	80.8	79%	0.791	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-14.7	-179.7	-64.4	-174.6	179.1	-177.7	0	114	T83 N101	T83-K85 PolarHBondContact O-N 3.49Å; T83-K85 VanDerWaalsContact O-N 3.08Å; T83-K85 PolarHBondContact OG1-N 2.81Å; K85-N101 PolarHBondContact O-ND2 3.37Å; K85-N101 VanDerWaalsContact O-ND2 3.16Å
86	M	69.1	Low	71.2	Confident	37 Å²	37	82 Å²	82	18%	0.182	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-150.5	122.2	-168.4	-178.2	173.6	102.8	0	0	109.7	T82 T83 E99	T82-M86 CarbonylContact C-O 3.58Å; T82-M86 WeakPolarHBondContact CA-O 3.4Å; T83-M86 PolarHBondContact N-O 3.18Å; T83-M86 PolarHBondContact O-N 3.05Å; T83-M86 PolarHBondContact OG1-N 2.99Å; M86-E99 VanDerWaalsContact CE-CD 3.49Å; M86-E99 HydrophobicContact CE-CG 3.9Å; M86-E99 WeakPolarHBondContact CE-OE1 3.39Å; M86-E99 HydrophobicContact CG-CB 4.39Å; M86-E99 HydrophobicContact SD-CB 4.35Å; M86-E99 VanDerWaalsContact SD-CD 3.52Å; M86-E99 HydrophobicContact SD-CG 4.05Å
87	T	74.7	Confident	71.2	Confident	71 Å²	71	77.7 Å²	77.7	44%	0.436	40%	0.396	S	S	.	.			trans	-98.1	137.5	174.7	-54.2	0	0	0	0	109.3	T82 S100	T82-T87 HydrophobicContact CG2-CG2 4.26Å; T87-S100 PolarHBondContact N-OG 2.9Å; T87-S100 WeakPolarHBondContact O-CB 3.39Å; T87-S100 PolarHBondContact O-N 3.08Å; T87-S100 PolarHBondContact O-OG 3.23Å
88	C	73.2	Confident	71.3	Confident	10 Å²	10	76 Å²	76	7%	0.068	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.2	177.4	-75.1	0	0	0	0	109.9	C78 A81 T82 L98	C78-C88 WeakPolarHBondContact O-CB 3.33Å; A81-C88 HydrophobicContact CB-CB 3.81Å; A81-C88 VanDerWaalsContact CB-SG 3.51Å; T82-C88 PolarHBondContact OG1-N 3.32Å; T82-C88 VanDerWaalsContact OG1-N 3.12Å; C88-L98 CarbonylContact C-O 3.59Å; C88-L98 WeakPolarHBondContact CA-O 3.49Å
89	T	76.3	Confident	71.5	Confident	60 Å²	60	77.9 Å²	77.9	37%	0.368	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.8	179.7	-56.8	0	0	0	0	108.9	L98	T89-L98 PolarHBondContact N-O 3.08Å; T89-L98 PolarHBondContact O-N 3.47Å
90	W	77.4	Confident	71.4	Confident	45 Å²	45	74.9 Å²	74.9	17%	0.17	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.3	174	-177.4	-106.4	0	0	0	110.5	R72 F75 C78 D95 K96 C97	R72-W90 WeakPolarHBondContact O-CZ3 3.43Å; F75-W90 HydrophobicContact CB-CD2 4.29Å; F75-W90 HydrophobicContact CB-CG 4.28Å; F75-W90 HydrophobicContact CD2-CB 3.72Å; F75-W90 AromaticContact CD2-CD1 3.57Å; F75-W90 HydrophobicContact CD2-CD2 4.48Å; F75-W90 AromaticContact CD2-CG 3.64Å; F75-W90 HydrophobicContact CD2-CG 3.64Å; F75-W90 HydrophobicContact CE2-CB 4.3Å; F75-W90 HydrophobicContact CG-CG 4.45Å; C78-W90 HydrophobicContact CB-CB 4.41Å; C78-W90 HydrophobicContact CB-CE3 3.79Å; W90-D95 WeakPolarHBondContact CH2-O 3.25Å; W90-D95 HydrophobicContact CZ2-CB 4.47Å; W90-K96 VanDerWaalsContact CZ3-C 3.46Å; W90-C97 HydrophobicContact CE3-CB 4.1Å; W90-C97 HydrophobicContact CZ3-CB 4.29Å
91	C	72.4	Confident	71.2	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.014	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102.4	172.8	-177.9	0	0	0	0	109.7	K93 G94 D95 K96 L98 C113	C91-K93 VanDerWaalsContact C-N 3.33Å; C91-K93 PolarHBondContact O-N 3.38Å; C91-G94 PolarHBondContact O-N 3.16Å; C91-G94 PolarHBondContact SG-N 3.39Å; C91-G94 VanDerWaalsContact SG-N 3.41Å; C91-D95 PolarHBondContact O-N 3.1Å; C91-K96 WeakPolarHBondContact CB-O 3.49Å; C91-K96 PolarHBondContact N-O 3.04Å; C91-K96 PolarHBondContact O-N 2.66Å; C91-L98 HydrophobicContact CB-CD1 4.14Å; C91-L98 HydrophobicContact CB-CG 4.28Å; C91-C113 HydrophobicContact CB-CB 3.68Å; C91-C113 WeakPolarHBondContact CB-SG 3.26Å; C91-C113 WeakPolarHBondContact SG-CA 3.45Å; C91-C113 WeakPolarHBondContact SG-CB 3.39Å; C91-C113 CovalentContact SG-SG 2Å; C91-C113 PolarHBondContact SG-SG 3.03Å
92	E	72.6	Confident	71	Confident	150 Å²	150	74 Å²	74	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-42.7	-179.9	-69.3	-172.9	166.3	0	0	112.3	G94 D95	E92-G94 VanDerWaalsContact C-N 3.27Å; E92-G94 PolarHBondContact O-N 3.29Å; E92-D95 PolarHBondContact O-N 3.42Å
93	K	69.4	Low	70.7	Confident	151 Å²	151	79.2 Å²	79.2	66%	0.657	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.1	-177.9	-162	-170.2	176	-155.3	0	112.8	C91 D112	C91-K93 VanDerWaalsContact C-N 3.33Å; C91-K93 PolarHBondContact O-N 3.38Å; K93-D112 WeakPolarHBondContact CB-O 3.08Å; K93-D112 WeakPolarHBondContact CD-O 3.38Å; K93-D112 IonicContact NZ-OD1 2.86Å; K93-D112 PolarHBondContact NZ-OD1 2.95Å
94	G	66.4	Low	70.2	Confident	31 Å²	31	82.4 Å²	82.4	32%	0.32	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.2	-179.6	0	0	0	0	0	114.1	C91 E92 K96	C91-G94 PolarHBondContact O-N 3.16Å; C91-G94 PolarHBondContact SG-N 3.39Å; C91-G94 VanDerWaalsContact SG-N 3.41Å; E92-G94 VanDerWaalsContact C-N 3.27Å; E92-G94 PolarHBondContact O-N 3.29Å; G94-K96 VanDerWaalsContact O-CG 3.26Å; G94-K96 WeakPolarHBondContact O-CG 3.12Å; G94-K96 PolarHBondContact O-N 2.84Å; G94-K96 VanDerWaalsContact O-N 3.17Å
95	D	71.4	Confident	69.5	Low	111 Å²	111	75.9 Å²	75.9	59%	0.594	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	40.3	-169.2	-72.9	-42.9	0	0	0	113.1	W90 C91 E92	W90-D95 WeakPolarHBondContact CH2-O 3.25Å; W90-D95 HydrophobicContact CZ2-CB 4.47Å; C91-D95 PolarHBondContact O-N 3.1Å; E92-D95 PolarHBondContact O-N 3.42Å
96	K	70.4	Confident	68.9	Low	124 Å²	124	73 Å²	73	54%	0.539	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.3	-173.8	-76	172.1	-170.6	-174	0	111.3	W90 C91 G94	W90-K96 VanDerWaalsContact CZ3-C 3.46Å; C91-K96 WeakPolarHBondContact CB-O 3.49Å; C91-K96 PolarHBondContact N-O 3.04Å; C91-K96 PolarHBondContact O-N 2.66Å; G94-K96 VanDerWaalsContact O-CG 3.26Å; G94-K96 WeakPolarHBondContact O-CG 3.12Å; G94-K96 PolarHBondContact O-N 2.84Å; G94-K96 VanDerWaalsContact O-N 3.17Å
97	C	69.6	Low	68.5	Low	30 Å²	30	78.5 Å²	78.5	20%	0.203	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.3	170.8	-169	0	0	0	0	109.1	R72 C78 W90	R72-C97 HydrophobicContact CB-CB 4.06Å; C78-C97 WeakPolarHBondContact CA-SG 3.12Å; C78-C97 HydrophobicContact CB-CB 3.64Å; C78-C97 WeakPolarHBondContact CB-SG 3.29Å; C78-C97 VanDerWaalsContact SG-CA 3.52Å; C78-C97 WeakPolarHBondContact SG-CB 3.25Å; C78-C97 CovalentContact SG-SG 2.03Å; C78-C97 PolarHBondContact SG-SG 3.26Å; W90-C97 HydrophobicContact CE3-CB 4.1Å; W90-C97 HydrophobicContact CZ3-CB 4.29Å
98	L	73.1	Confident	67.7	Low	8 Å²	8	78.3 Å²	78.3	4%	0.042	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.4	-179.3	-59.6	-176.6	0	0	0	110.4	C88 T89 C91 T105 L108 K109 C113	C88-L98 CarbonylContact C-O 3.59Å; C88-L98 WeakPolarHBondContact CA-O 3.49Å; T89-L98 PolarHBondContact N-O 3.08Å; T89-L98 PolarHBondContact O-N 3.47Å; C91-L98 HydrophobicContact CB-CD1 4.14Å; C91-L98 HydrophobicContact CB-CG 4.28Å; L98-T105 HydrophobicContact CD2-CG2 3.85Å; L98-L108 HydrophobicContact CD1-CB 4.44Å; L98-L108 HydrophobicContact CD2-CD1 4.49Å; L98-K109 HydrophobicContact CD1-CG 3.8Å; L98-C113 HydrophobicContact CD1-CB 4.07Å; L98-C113 WeakPolarHBondContact CD1-SG 3.36Å
99	E	72.5	Confident	66.9	Low	39 Å²	39	79.9 Å²	79.9	18%	0.182	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.5	175.4	-60.8	-176.2	-178.6	0	0	109.9	M86 N101 D102 K109	M86-E99 VanDerWaalsContact CE-CD 3.49Å; M86-E99 HydrophobicContact CE-CG 3.9Å; M86-E99 WeakPolarHBondContact CE-OE1 3.39Å; M86-E99 HydrophobicContact CG-CB 4.39Å; M86-E99 HydrophobicContact SD-CB 4.35Å; M86-E99 VanDerWaalsContact SD-CD 3.52Å; M86-E99 HydrophobicContact SD-CG 4.05Å; E99-N101 PolarHBondContact O-N 2.82Å; E99-D102 HydrophobicContact CB-CB 4.12Å; E99-D102 PolarHBondContact O-N 2.89Å; E99-K109 WeakPolarHBondContact O-CE 3.46Å; E99-K109 PolarHBondContact O-NZ 2.88Å
100	S	66.7	Low	66.2	Low	50 Å²	50	81.4 Å²	81.4	35%	0.35	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.1	-176.6	56.5	0	0	0	0	113	T87 K109	T87-S100 PolarHBondContact N-OG 2.9Å; T87-S100 WeakPolarHBondContact O-CB 3.39Å; T87-S100 PolarHBondContact O-N 3.08Å; T87-S100 PolarHBondContact O-OG 3.23Å; S100-K109 PolarHBondContact O-NZ 3.09Å
101	N	67	Low	65.3	Low	110 Å²	110	84.9 Å²	84.9	59%	0.588	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.7	-171.6	-54.5	-7	0	0	0	113	K85 E99 E103	K85-N101 PolarHBondContact O-ND2 3.37Å; K85-N101 VanDerWaalsContact O-ND2 3.16Å; E99-N101 PolarHBondContact O-N 2.82Å; N101-E103 PolarHBondContact O-N 3.16Å
102	D	63.2	Low	64.7	Low	48 Å²	48	88 Å²	88	26%	0.257	45%	0.451	S	S	.	.			trans	-75.5	109	177	-174.6	-14.9	0	0	0	109	E99 D104 T105 K109	E99-D102 HydrophobicContact CB-CB 4.12Å; E99-D102 PolarHBondContact O-N 2.89Å; D102-D104 VanDerWaalsContact C-N 3.33Å; D102-D104 WeakPolarHBondContact OD1-CB 3.4Å; D102-D104 PolarHBondContact OD1-N 2.83Å; D102-T105 HydrophobicContact CB-CG2 4.07Å; D102-T105 PolarHBondContact O-N 2.84Å; D102-T105 PolarHBondContact O-OG1 2.75Å; D102-T105 PolarHBondContact OD1-N 3.25Å; D102-T105 VanDerWaalsContact OD2-CG2 3.28Å; D102-T105 WeakPolarHBondContact OD2-CG2 3.28Å; D102-K109 PolarHBondContact O-NZ 2.77Å
103	E	63.9	Low	64.3	Low	174 Å²	174	81.3 Å²	81.3	81%	0.813	42%	0.421	S	S	*	.	S	Bend	trans	-68.4	-31.2	177.5	-69.8	-170	164.4	0	0	111.9	N101 T105 H106	N101-E103 PolarHBondContact O-N 3.16Å; E103-T105 PolarHBondContact O-N 3.26Å; E103-H106 VanDerWaalsContact O-CB 3.25Å; E103-H106 WeakPolarHBondContact O-CB 3.27Å; E103-H106 PolarHBondContact O-N 2.86Å
104	D	60.4	Low	63.6	Low	146 Å²	146	84.8 Å²	84.8	78%	0.781	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.2	179.7	-65.5	-29.8	0	0	0	111.3	D102 H106	D102-D104 VanDerWaalsContact C-N 3.33Å; D102-D104 WeakPolarHBondContact OD1-CB 3.4Å; D102-D104 PolarHBondContact OD1-N 2.83Å; D104-H106 VanDerWaalsContact C-N 3.31Å; D104-H106 PolarHBondContact O-N 3.21Å
105	T	56.9	Low	63	Low	14 Å²	14	86.8 Å²	86.8	9%	0.086	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.7	176	64	0	0	0	0	114.1	L98 D102 E103 E107 L108 K109	L98-T105 HydrophobicContact CD2-CG2 3.85Å; D102-T105 HydrophobicContact CB-CG2 4.07Å; D102-T105 PolarHBondContact O-N 2.84Å; D102-T105 PolarHBondContact O-OG1 2.75Å; D102-T105 PolarHBondContact OD1-N 3.25Å; D102-T105 VanDerWaalsContact OD2-CG2 3.28Å; D102-T105 WeakPolarHBondContact OD2-CG2 3.28Å; E103-T105 PolarHBondContact O-N 3.26Å; T105-E107 PolarHBondContact O-N 2.89Å; T105-L108 PolarHBondContact O-N 3.35Å; T105-K109 WeakPolarHBondContact O-CG 3.43Å; T105-K109 PolarHBondContact O-N 2.87Å; T105-K109 WeakPolarHBondContact OG1-CE 3.48Å; T105-K109 PolarHBondContact OG1-NZ 3.17Å
106	H	61.2	Low	61.5	Low	123 Å²	123	89.4 Å²	89.4	57%	0.569	45%	0.445	S	S	*	.	H	α-helix	trans	-59.3	-44.2	-175.8	-166.2	72.9	0	0	0	112.5	E103 D104 L108 K109 V110	E103-H106 VanDerWaalsContact O-CB 3.25Å; E103-H106 WeakPolarHBondContact O-CB 3.27Å; E103-H106 PolarHBondContact O-N 2.86Å; D104-H106 VanDerWaalsContact C-N 3.31Å; D104-H106 PolarHBondContact O-N 3.21Å; H106-L108 VanDerWaalsContact C-N 3.33Å; H106-L108 PolarHBondContact O-N 3.01Å; H106-K109 PolarHBondContact O-N 3.1Å; H106-V110 WeakPolarHBondContact O-CG2 3.41Å; H106-V110 PolarHBondContact O-N 3.08Å; H106-V110 VanDerWaalsContact O-N 3.16Å
107	E	60.1	Low	59.8	Low	152 Å²	152	89.1 Å²	89.1	71%	0.71	45%	0.453	S	S	*	.	H	α-helix	trans	-64	-38.8	178	-65.6	-167.4	169.1	0	0	112.3	T105 V110 N111	T105-E107 PolarHBondContact O-N 2.89Å; E107-V110 PolarHBondContact O-N 2.82Å; E107-N111 WeakPolarHBondContact O-CB 3.37Å; E107-N111 PolarHBondContact O-N 2.89Å
108	L	56.8	Low	57.8	Low	67 Å²	67	90.7 Å²	90.7	35%	0.351	47%	0.474	S	S	.	.	H	α-helix	trans	-65.8	-41.8	176.5	-70.4	171.3	0	0	0	111.7	L98 T105 H106 V110 D112 C113	L98-L108 HydrophobicContact CD1-CB 4.44Å; L98-L108 HydrophobicContact CD2-CD1 4.49Å; T105-L108 PolarHBondContact O-N 3.35Å; H106-L108 VanDerWaalsContact C-N 3.33Å; H106-L108 PolarHBondContact O-N 3.01Å; L108-V110 VanDerWaalsContact C-N 3.27Å; L108-V110 PolarHBondContact O-N 3.23Å; L108-D112 PolarHBondContact O-N 3.35Å; L108-D112 VanDerWaalsContact O-N 3.1Å; L108-C113 PolarHBondContact O-N 2.86Å; L108-C113 PolarHBondContact O-SG 3.31Å; L108-C113 VanDerWaalsContact O-SG 3.39Å
109	K	57.3	Low	55.6	Low	42 Å²	42	98 Å²	98	18%	0.183	51%	0.512	C	S	.	.	H	α-helix	trans	-61.9	-32.7	177.2	-73.6	170	-177.9	154.2	0	112.7	L98 E99 S100 D102 T105 H106	L98-K109 HydrophobicContact CD1-CG 3.8Å; E99-K109 WeakPolarHBondContact O-CE 3.46Å; E99-K109 PolarHBondContact O-NZ 2.88Å; S100-K109 PolarHBondContact O-NZ 3.09Å; D102-K109 PolarHBondContact O-NZ 2.77Å; T105-K109 WeakPolarHBondContact O-CG 3.43Å; T105-K109 PolarHBondContact O-N 2.87Å; T105-K109 WeakPolarHBondContact OG1-CE 3.48Å; T105-K109 PolarHBondContact OG1-NZ 3.17Å; H106-K109 PolarHBondContact O-N 3.1Å
110	V	60.6	Low	53.6	Low	92 Å²	92	105.5 Å²	105.5	56%	0.558	57%	0.566	S	S	*	*	H	α-helix	trans	-87.3	-43.5	-176.4	176.2	0	0	0	0	111.5	H106 E107 L108	H106-V110 WeakPolarHBondContact O-CG2 3.41Å; H106-V110 PolarHBondContact O-N 3.08Å; H106-V110 VanDerWaalsContact O-N 3.16Å; E107-V110 PolarHBondContact O-N 2.82Å; L108-V110 VanDerWaalsContact C-N 3.27Å; L108-V110 PolarHBondContact O-N 3.23Å
111	N	60.5	Low	52.9	Low	118 Å²	118	108.3 Å²	108.3	63%	0.631	58%	0.577	S	S	*	*	H	α-helix	trans	-99.8	-37.8	-167.1	-69.1	-30.2	0	0	0	114.3	E107	E107-N111 WeakPolarHBondContact O-CB 3.37Å; E107-N111 PolarHBondContact O-N 2.89Å
112	D	59.1	Low	52.2	Low	67 Å²	67	108.2 Å²	108.2	36%	0.358	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.8	-33.9	-172	-86.3	-34.1	0	0	0	113.7	K93 L108	K93-D112 WeakPolarHBondContact CB-O 3.08Å; K93-D112 WeakPolarHBondContact CD-O 3.38Å; K93-D112 IonicContact NZ-OD1 2.86Å; K93-D112 PolarHBondContact NZ-OD1 2.95Å; L108-D112 PolarHBondContact O-N 3.35Å; L108-D112 VanDerWaalsContact O-N 3.1Å
113	C	63.6	Low	51.5	Low	11 Å²	11	111.5 Å²	111.5	7%	0.074	59%	0.594	C	S	.	*	S	Bend	trans	-100.7	95.9	178.1	-48	0	0	0	0	105.7	C91 L98 L108 V115	C91-C113 HydrophobicContact CB-CB 3.68Å; C91-C113 WeakPolarHBondContact CB-SG 3.26Å; C91-C113 WeakPolarHBondContact SG-CA 3.45Å; C91-C113 WeakPolarHBondContact SG-CB 3.39Å; C91-C113 CovalentContact SG-SG 2Å; C91-C113 PolarHBondContact SG-SG 3.03Å; L98-C113 HydrophobicContact CD1-CB 4.07Å; L98-C113 WeakPolarHBondContact CD1-SG 3.36Å; L108-C113 PolarHBondContact O-N 2.86Å; L108-C113 PolarHBondContact O-SG 3.31Å; L108-C113 VanDerWaalsContact O-SG 3.39Å; C113-V115 PolarHBondContact O-N 3.21Å
114	R	55.4	Low	50.8	Low	223 Å²	223	107.8 Å²	107.8	84%	0.842	58%	0.581	S	S	*	*			trans	-58.4	93.5	170.3	-73.7	-176.4	178.3	-177.2	0	107.4	E116	R114-E116 PolarHBondContact O-N 2.79Å
115	V	52.6	Low	50.2	Low	74 Å²	74	105.4 Å²	105.4	45%	0.448	57%	0.569	S	S	.	*			trans	-71	85.1	167.9	-176.9	0	0	0	0	103.8	C113 V117	C113-V115 PolarHBondContact O-N 3.21Å; V115-V117 HydrophobicContact CG1-CG2 4.01Å; V115-V117 PolarHBondContact O-N 2.94Å
116	E	39.8	Very low	49.8	Very low	166 Å²	166	111.5 Å²	111.5	78%	0.776	60%	0.601	S	S	*	*			trans	-63.3	95.8	162.9	-78.3	-169.6	175	0	0	105.8	R114 G118	R114-E116 PolarHBondContact O-N 2.79Å; E116-G118 PolarHBondContact O-N 3.35Å
117	V	36.3	Very low	48.9	Very low	118 Å²	118	110.7 Å²	110.7	72%	0.715	60%	0.603	S	S	*	*			trans	-65.2	87	165.9	-178.9	0	0	0	0	105.3	V115 I119	V115-V117 HydrophobicContact CG1-CG2 4.01Å; V115-V117 PolarHBondContact O-N 2.94Å; V117-I119 PolarHBondContact O-N 3.05Å
118	G	27.1	Very low	48.1	Very low	63 Å²	63	107.5 Å²	107.5	65%	0.649	60%	0.595	S	S	*	*			trans	-61.8	104.5	173.2	0	0	0	0	0	108.7	E116 C120	E116-G118 PolarHBondContact O-N 3.35Å; G118-C120 PolarHBondContact O-N 3.43Å
119	I	26.5	Very low	47.4	Very low	162 Å²	162	110.9 Å²	110.9	83%	0.831	62%	0.615	S	S	*	*			trans	-64.7	115.2	166.1	-52.7	172.8	0	0	0	105.8	V117	V117-I119 PolarHBondContact O-N 3.05Å
120	C	29.6	Very low	46.5	Very low	195 Å²	195	117.2 Å²	117.2	100%	1.318	66%	0.655	S	S	*	*			trans	-76.4	0	166.9	-63.9	0	0	0	0	110.1	G118	G118-C120 PolarHBondContact O-N 3.43Å

Retrieved 120 of 120 residues in 77.9 ms (Link to these results)

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