A0A077ZIU6_TRITR Loading...

DUF5641 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZIU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	41.7	Very low	228 Å²	228	124.9 Å²	124.9	100%	1.123	75%	0.749	S	S	*	*				0	92.4	0	-78.4	174.8	-179.8	0	0	106.4
2	E	41.7	Very low	41.1	Very low	179 Å²	179	127.7 Å²	127.7	84%	0.836	76%	0.755	S	S	*	*			trans	-145.1	65.9	179.5	-71.6	-82	94.3	0	0	106.7
3	I	47.5	Very low	40.8	Very low	152 Å²	152	129.7 Å²	129.7	78%	0.779	75%	0.753	S	S	*	*			trans	-98.4	10.5	-176.3	-40.1	174.1	0	0	0	110.9
4	S	48.1	Very low	40.3	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	75%	0.75	S	S	*	*	S	Bend	trans	-112	-5.2	-164.4	-59.3	0	0	0	0	116.6
5	S	45.5	Very low	40.5	Very low	95 Å²	95	130.9 Å²	130.9	66%	0.664	74%	0.737	S	S	*	*	S	Bend	trans	-98.6	-18	-179.8	61.3	0	0	0	0	115.1	I7	S5-I7 VanDerWaalsContact C-N 3.33Å; S5-I7 PolarHBondContact O-N 3.39Å
6	A	43.5	Very low	41.2	Very low	79 Å²	79	129.3 Å²	129.3	65%	0.653	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-11.8	-170.4	0	0	0	0	0	115.2
7	I	47.1	Very low	41.9	Very low	146 Å²	146	125.2 Å²	125.2	75%	0.749	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-16.5	-175.1	-16.4	174	0	0	0	112.2	S5	S5-I7 VanDerWaalsContact C-N 3.33Å; S5-I7 PolarHBondContact O-N 3.39Å
8	A	39.8	Very low	42.8	Very low	87 Å²	87	119.2 Å²	119.2	72%	0.719	67%	0.665	S	S	*	*	S	Bend	trans	-87.3	-15.4	178.7	0	0	0	0	0	113.4
9	G	32.6	Very low	43.8	Very low	39 Å²	39	121.3 Å²	121.3	40%	0.402	66%	0.662	S	S	.	*	S	Bend	trans	-92.2	-20.2	-175	0	0	0	0	0	116
10	S	38.9	Very low	44.7	Very low	102 Å²	102	118.7 Å²	118.7	71%	0.713	65%	0.65	S	S	*	*	S	Bend	trans	-98.6	1.1	-171.2	-78.1	0	0	0	0	115.7
11	L	35.1	Very low	45.6	Very low	153 Å²	153	119 Å²	119	80%	0.801	65%	0.651	S	S	*	*	S	Bend	trans	-108.8	-11.6	177.5	-127.4	87.5	0	0	0	114.1
12	L	34.1	Very low	46.7	Very low	158 Å²	158	111.5 Å²	111.5	83%	0.827	62%	0.615	S	S	*	*	S	Bend	trans	-97.2	0.1	-179.7	-155.1	72.1	0	0	0	113.1
13	E	36.6	Very low	47.6	Very low	154 Å²	154	107.8 Å²	107.8	72%	0.72	60%	0.604	S	S	*	*			trans	-103.2	126.2	-173.5	-62.9	-157.5	133.8	0	0	111.7
14	K	34.6	Very low	48.4	Very low	165 Å²	165	101.6 Å²	101.6	72%	0.717	57%	0.574	S	S	*	*			trans	98.6	46.4	169.5	-141.7	-179.7	-172.5	-169.4	0	117.5	E16	K14-E16 WeakPolarHBondContact CE-OE2 3.48Å; K14-E16 HydrophobicContact CG-CB 4.23Å; K14-E16 PolarHBondContact O-N 3.48Å
15	M	43.8	Very low	49.1	Very low	113 Å²	113	99.1 Å²	99.1	56%	0.557	55%	0.551	S	S	*	*			trans	-78.7	76.9	134.9	-77	175.1	77.7	0	0	107.6	N17	M15-N17 PolarHBondContact O-N 3.33Å
16	E	51.4	Low	49.9	Very low	105 Å²	105	94.8 Å²	94.8	49%	0.491	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-65.9	127.7	169.7	-172.8	171.9	177.6	0	0	107.8	K14 R19	K14-E16 WeakPolarHBondContact CE-OE2 3.48Å; K14-E16 HydrophobicContact CG-CB 4.23Å; K14-E16 PolarHBondContact O-N 3.48Å; E16-R19 IonicContact OE1-CZ 2.79Å; E16-R19 IonicContact OE1-NE 3.83Å; E16-R19 IonicContact OE1-NH2 2.82Å; E16-R19 PolarHBondContact OE1-NH2 3.38Å
17	N	53.4	Low	50.6	Low	60 Å²	60	91.1 Å²	91.1	32%	0.321	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-58	125.4	175.3	-69.1	100.8	0	0	0	109.3	M15 R19 L52	M15-N17 PolarHBondContact O-N 3.33Å; N17-R19 PolarHBondContact O-N 2.98Å; N17-L52 HydrophobicContact CB-CD1 3.68Å; N17-L52 HydrophobicContact CB-CG 4.08Å
18	P	57.9	Low	50.9	Low	16 Å²	16	86.4 Å²	86.4	10%	0.104	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-65.8	135.1	178.8	24.5	-28.9	0	0	0	109.6	D22 V24 V41 L52 Y82	P18-D22 HydrophobicContact CB-CB 4.38Å; P18-V24 HydrophobicContact CB-CG1 4.24Å; P18-V41 HydrophobicContact CB-CG2 4.25Å; P18-L52 VanDerWaalsContact O-CD1 3.26Å; P18-L52 WeakPolarHBondContact O-CD1 3.29Å; P18-Y82 HydrophobicContact CG-CE2 4.01Å; P18-Y82 WeakPolarHBondContact CG-OH 3.12Å
19	R	61.1	Low	51.3	Low	159 Å²	159	85.2 Å²	85.2	60%	0.6	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-83.9	159.8	-178.6	-56.9	-175.3	-168.5	-155.2	3.2	109.7	E16 N17 N21 D22 V41	E16-R19 IonicContact OE1-CZ 2.79Å; E16-R19 IonicContact OE1-NE 3.83Å; E16-R19 IonicContact OE1-NH2 2.82Å; E16-R19 PolarHBondContact OE1-NH2 3.38Å; N17-R19 PolarHBondContact O-N 2.98Å; R19-N21 PolarHBondContact O-N 3.43Å; R19-D22 PolarHBondContact N-OD2 3.09Å; R19-D22 VanDerWaalsContact O-CB 3.29Å; R19-D22 WeakPolarHBondContact O-CB 3.29Å; R19-D22 PolarHBondContact O-N 2.86Å; R19-V41 WeakPolarHBondContact O-CB 3.49Å
20	V	62.7	Low	52.2	Low	70 Å²	70	91.2 Å²	91.2	42%	0.424	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	136.3	167.1	-179.2	0	0	0	0	108.8	D22 V42 A44	V20-D22 VanDerWaalsContact C-N 3.33Å; V20-V42 VanDerWaalsContact CG1-O 3.31Å; V20-V42 WeakPolarHBondContact CG1-O 3.14Å; V20-A44 HydrophobicContact CG2-CB 3.68Å
21	N	63.1	Low	52.7	Low	126 Å²	126	88.1 Å²	88.1	67%	0.674	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.7	-172.1	-60.6	-9.4	0	0	0	116.7	R19 V41	R19-N21 PolarHBondContact O-N 3.43Å; N21-V41 WeakPolarHBondContact CA-O 3.5Å; N21-V41 PolarHBondContact N-O 2.72Å
22	D	61.7	Low	54	Low	69 Å²	69	83.6 Å²	83.6	37%	0.369	43%	0.426	S	S	.	.			trans	-73.5	140.7	170.6	-75.6	-13.8	0	0	0	111.2	P18 R19 V20 I40 V41	P18-D22 HydrophobicContact CB-CB 4.38Å; R19-D22 PolarHBondContact N-OD2 3.09Å; R19-D22 VanDerWaalsContact O-CB 3.29Å; R19-D22 WeakPolarHBondContact O-CB 3.29Å; R19-D22 PolarHBondContact O-N 2.86Å; V20-D22 VanDerWaalsContact C-N 3.33Å; D22-I40 WeakPolarHBondContact O-CA 3.49Å; D22-V41 PolarHBondContact O-N 2.88Å
23	V	62.1	Low	55.2	Low	101 Å²	101	83.9 Å²	83.9	61%	0.612	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.3	173.6	-178.7	0	0	0	0	108.8	L38 G39 I40	V23-L38 HydrophobicContact CG1-CD2 4.06Å; V23-G39 CarbonylContact C-O 3.48Å; V23-G39 WeakPolarHBondContact CA-O 3.18Å; V23-I40 HydrophobicContact CG2-CG1 4.43Å
24	V	63.1	Low	56.7	Low	23 Å²	23	83.4 Å²	83.4	14%	0.139	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.6	179.3	-65.8	0	0	0	0	110.5	P18 G39 V41 I57	P18-V24 HydrophobicContact CB-CG1 4.24Å; V24-G39 WeakPolarHBondContact CG2-O 3.44Å; V24-G39 PolarHBondContact N-O 3.22Å; V24-G39 PolarHBondContact O-N 3.22Å; V24-V41 HydrophobicContact CG1-CG2 3.82Å; V24-V41 HydrophobicContact CG2-CG2 4.26Å; V24-I57 HydrophobicContact CG2-CD1 3.98Å; V24-I57 HydrophobicContact CG2-CG1 4.16Å; V24-I57 HydrophobicContact CG2-CG2 3.69Å
25	L	62.6	Low	57.9	Low	61 Å²	61	83.7 Å²	83.7	32%	0.319	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.3	170	-90.1	149.4	0	0	0	108.4	A27 W36 L38 V113	L25-A27 PolarHBondContact O-N 3.02Å; L25-W36 HydrophobicContact CB-CE3 4.36Å; L25-W36 HydrophobicContact CD2-CB 3.88Å; L25-L38 HydrophobicContact CD2-CD2 3.69Å; L25-L38 HydrophobicContact CG-CD2 3.7Å; L25-V113 HydrophobicContact CB-CB 4.35Å; L25-V113 HydrophobicContact CB-CG2 3.5Å; L25-V113 VanDerWaalsContact CB-CG2 3.5Å; L25-V113 HydrophobicContact CD1-CB 4.11Å; L25-V113 HydrophobicContact CD1-CG1 4.18Å; L25-V113 HydrophobicContact CD1-CG2 3.67Å; L25-V113 HydrophobicContact CG-CG2 4.16Å
26	V	63.4	Low	59	Low	4 Å²	4	80.5 Å²	80.5	2%	0.024	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	103.5	177.8	-179.2	0	0	0	0	107.4	E28 W36 R37 I57 V59 F110	V26-E28 PolarHBondContact O-N 3.49Å; V26-W36 WeakPolarHBondContact O-CB 3.41Å; V26-R37 PolarHBondContact N-O 2.96Å; V26-R37 PolarHBondContact O-N 2.59Å; V26-I57 HydrophobicContact CG2-CG2 4.18Å; V26-V59 HydrophobicContact CG2-CG2 3.76Å; V26-F110 HydrophobicContact CG1-CD1 3.5Å; V26-F110 VanDerWaalsContact CG1-CD1 3.5Å; V26-F110 HydrophobicContact CG1-CE1 3.36Å
27	A	56.8	Low	59.5	Low	2 Å²	2	78.6 Å²	78.6	2%	0.017	38%	0.381	C	S	.	.			trans	-79.3	113.9	178.3	0	0	0	0	0	110.4	L25 W36 F110 R111	L25-A27 PolarHBondContact O-N 3.02Å; A27-W36 HydrophobicContact CB-CD2 3.72Å; A27-W36 HydrophobicContact CB-CE3 3.71Å; A27-W36 HydrophobicContact CB-CH2 3.52Å; A27-W36 HydrophobicContact CB-CZ2 3.51Å; A27-W36 HydrophobicContact CB-CZ3 3.6Å; A27-F110 WeakPolarHBondContact O-CD1 3.42Å; A27-F110 WeakPolarHBondContact O-CE1 3.33Å; A27-F110 WeakPolarHBondContact O-CG 3.41Å; A27-R111 HydrophobicContact CB-CB 4.23Å
28	E	53.9	Low	59.9	Low	48 Å²	48	79 Å²	79	22%	0.224	38%	0.383	C	S	.	.			trans	-91.7	132.4	171.7	-70.5	172.4	-131.3	0	0	109.4	V26 V31 R37 V108	V26-E28 PolarHBondContact O-N 3.49Å; E28-V31 HydrophobicContact CB-CB 3.79Å; E28-V31 HydrophobicContact CB-CG2 3.57Å; E28-V31 PolarHBondContact O-N 3.16Å; E28-R37 WeakPolarHBondContact OE1-CD 3.27Å; E28-R37 VanDerWaalsContact OE1-CG 3.25Å; E28-R37 WeakPolarHBondContact OE1-CG 3.23Å; E28-R37 IonicContact OE1-CZ 3.15Å; E28-R37 IonicContact OE1-NE 3.63Å; E28-R37 PolarHBondContact OE1-NE 2.98Å; E28-R37 IonicContact OE1-NH2 3.08Å; E28-V108 HydrophobicContact CB-CG1 4.49Å
29	D	48.4	Very low	60.3	Low	61 Å²	61	78.3 Å²	78.3	33%	0.326	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	145.9	170	-82.5	-20.7	0	0	0	110.1	V31 G107 V108 S109	D29-V31 PolarHBondContact O-N 3.3Å; D29-V31 VanDerWaalsContact O-N 3.12Å; D29-G107 WeakPolarHBondContact CB-O 3.37Å; D29-G107 VanDerWaalsContact OD2-O 3.04Å; D29-V108 WeakPolarHBondContact OD2-CA 3.35Å; D29-V108 PolarHBondContact OD2-N 3.4Å; D29-V108 VanDerWaalsContact OD2-N 3.14Å; D29-S109 WeakPolarHBondContact OD1-CB 3.49Å; D29-S109 PolarHBondContact OD1-N 3.38Å; D29-S109 WeakPolarHBondContact OD2-CB 3.24Å; D29-S109 PolarHBondContact OD2-N 2.71Å
30	N	50.5	Low	60.1	Low	166 Å²	166	74.4 Å²	74.4	89%	0.888	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	3.7	-174.5	-53.2	-61.2	0	0	0	115.2
31	V	50.9	Low	60.1	Low	37 Å²	37	71.1 Å²	71.1	22%	0.224	35%	0.348	C	S	.	.	S	Bend	trans	-105.5	123.2	174.7	-178.1	0	0	0	0	109.7	E28 D29 R35 W36	E28-V31 HydrophobicContact CB-CB 3.79Å; E28-V31 HydrophobicContact CB-CG2 3.57Å; E28-V31 PolarHBondContact O-N 3.16Å; D29-V31 PolarHBondContact O-N 3.3Å; D29-V31 VanDerWaalsContact O-N 3.12Å; V31-R35 HydrophobicContact CG1-CB 3.26Å; V31-R35 HydrophobicContact CG1-CG 4.44Å; V31-W36 PolarHBondContact O-NE1 2.95Å
32	P	61.5	Low	60	Low	58 Å²	58	68.5 Å²	68.5	38%	0.377	34%	0.337	S	S	.	.			trans	-63.7	146.5	176.1	27.6	-35.3	0	0	0	110.4	H34 R35	P32-H34 WeakPolarHBondContact CG-CE1 3.21Å; P32-H34 PolarHBondContact O-N 3.2Å; P32-R35 PolarHBondContact O-N 3.25Å
33	R	59.5	Low	59.7	Low	164 Å²	164	70.2 Å²	70.2	62%	0.619	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-48.7	-28.7	-172.9	-173	176.4	177.5	-173.8	-0.4	115.7	R35 W36	R33-R35 PolarHBondContact O-N 2.96Å; R33-W36 HydrophobicContact CB-CD2 4.34Å; R33-W36 HydrophobicContact CB-CZ2 4.42Å; R33-W36 HydrophobicContact CG-CD2 4.11Å; R33-W36 HydrophobicContact CG-CE3 4.02Å; R33-W36 HydrophobicContact CG-CH2 4.47Å; R33-W36 HydrophobicContact CG-CZ3 4.22Å; R33-W36 PolarHBondContact O-N 3.04Å
34	H	67.4	Low	59.3	Low	144 Å²	144	66.7 Å²	66.7	67%	0.667	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-71.7	-13.3	178.3	70.1	-90.5	0	0	0	114.2	P32	P32-H34 WeakPolarHBondContact CG-CE1 3.21Å; P32-H34 PolarHBondContact O-N 3.2Å
35	R	60.4	Low	58.7	Low	170 Å²	170	68.9 Å²	68.9	64%	0.642	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-110	7.3	176.9	-72.4	-179.8	-157.7	179.7	-1	112.8	V31 P32 R33 R37	V31-R35 HydrophobicContact CG1-CB 3.26Å; V31-R35 HydrophobicContact CG1-CG 4.44Å; P32-R35 PolarHBondContact O-N 3.25Å; R33-R35 PolarHBondContact O-N 2.96Å; R35-R37 PolarHBondContact O-N 3.11Å
36	W	66.6	Low	58.3	Low	46 Å²	46	70.8 Å²	70.8	17%	0.174	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-64.4	132.4	174.6	-71.2	1.1	0	0	0	109.8	L25 V26 A27 V31 R33 R111 V113	L25-W36 HydrophobicContact CB-CE3 4.36Å; L25-W36 HydrophobicContact CD2-CB 3.88Å; V26-W36 WeakPolarHBondContact O-CB 3.41Å; A27-W36 HydrophobicContact CB-CD2 3.72Å; A27-W36 HydrophobicContact CB-CE3 3.71Å; A27-W36 HydrophobicContact CB-CH2 3.52Å; A27-W36 HydrophobicContact CB-CZ2 3.51Å; A27-W36 HydrophobicContact CB-CZ3 3.6Å; V31-W36 PolarHBondContact O-NE1 2.95Å; R33-W36 HydrophobicContact CB-CD2 4.34Å; R33-W36 HydrophobicContact CB-CZ2 4.42Å; R33-W36 HydrophobicContact CG-CD2 4.11Å; R33-W36 HydrophobicContact CG-CE3 4.02Å; R33-W36 HydrophobicContact CG-CH2 4.47Å; R33-W36 HydrophobicContact CG-CZ3 4.22Å; R33-W36 PolarHBondContact O-N 3.04Å; W36-R111 HydrophobicContact CH2-CB 4.49Å; W36-V113 HydrophobicContact CE3-CG2 4.11Å; W36-V113 HydrophobicContact CZ3-CG2 3.71Å
37	R	62	Low	57.7	Low	66 Å²	66	71.1 Å²	71.1	25%	0.249	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	148.6	-179.3	-58.1	-179.4	-164	-168.8	1.3	109.9	V26 E28 R35 V59 D61 E76	V26-R37 PolarHBondContact N-O 2.96Å; V26-R37 PolarHBondContact O-N 2.59Å; E28-R37 WeakPolarHBondContact OE1-CD 3.27Å; E28-R37 VanDerWaalsContact OE1-CG 3.25Å; E28-R37 WeakPolarHBondContact OE1-CG 3.23Å; E28-R37 IonicContact OE1-CZ 3.15Å; E28-R37 IonicContact OE1-NE 3.63Å; E28-R37 PolarHBondContact OE1-NE 2.98Å; E28-R37 IonicContact OE1-NH2 3.08Å; R35-R37 PolarHBondContact O-N 3.11Å; R37-V59 HydrophobicContact CB-CG1 3.33Å; R37-V59 HydrophobicContact CG-CG1 4.07Å; R37-D61 IonicContact NE-OD2 3.93Å; R37-E76 IonicContact NH1-OE2 2.87Å; R37-E76 PolarHBondContact NH1-OE2 2.93Å; R37-E76 VanDerWaalsContact NH1-OE2 3.08Å
38	L	62.1	Low	57.2	Low	69 Å²	69	80.2 Å²	80.2	36%	0.361	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.5	172.6	-69.5	170.8	0	0	0	108.5	V23 L25 R60	V23-L38 HydrophobicContact CG1-CD2 4.06Å; L25-L38 HydrophobicContact CD2-CD2 3.69Å; L25-L38 HydrophobicContact CG-CD2 3.7Å; L38-R60 PolarHBondContact O-N 2.84Å; L38-R60 VanDerWaalsContact O-O 3.11Å
39	G	65.4	Low	56.9	Low	1 Å²	1	83.1 Å²	83.1	1%	0.01	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	156.1	173.2	0	0	0	0	0	111.9	V23 V24 A58	V23-G39 CarbonylContact C-O 3.48Å; V23-G39 WeakPolarHBondContact CA-O 3.18Å; V24-G39 WeakPolarHBondContact CG2-O 3.44Å; V24-G39 PolarHBondContact N-O 3.22Å; V24-G39 PolarHBondContact O-N 3.22Å; G39-A58 CarbonylContact C-O 3.43Å; G39-A58 VanDerWaalsContact CA-O 3.22Å; G39-A58 WeakPolarHBondContact CA-O 3.43Å
40	I	58.6	Low	56.8	Low	77 Å²	77	83.2 Å²	83.2	40%	0.395	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.4	169.6	-62.1	169.6	0	0	0	106.9	D22 V23 V42 I57 A58	D22-I40 WeakPolarHBondContact O-CA 3.49Å; V23-I40 HydrophobicContact CG2-CG1 4.43Å; I40-V42 PolarHBondContact O-N 2.88Å; I40-I57 CarbonylContact O-C 3.58Å; I40-I57 WeakPolarHBondContact O-CA 3.47Å; I40-A58 PolarHBondContact N-O 3.06Å; I40-A58 PolarHBondContact O-N 3.08Å
41	V	61.9	Low	56.5	Low	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	114.5	171.7	177.9	0	0	0	0	108.6	P18 R19 N21 D22 V24 E43 N55 I57	P18-V41 HydrophobicContact CB-CG2 4.25Å; R19-V41 WeakPolarHBondContact O-CB 3.49Å; N21-V41 WeakPolarHBondContact CA-O 3.5Å; N21-V41 PolarHBondContact N-O 2.72Å; D22-V41 PolarHBondContact O-N 2.88Å; V24-V41 HydrophobicContact CG1-CG2 3.82Å; V24-V41 HydrophobicContact CG2-CG2 4.26Å; V41-E43 WeakPolarHBondContact CG1-O 3.42Å; V41-N55 HydrophobicContact CG1-CB 3.97Å; V41-I57 HydrophobicContact CG2-CG1 4.46Å
42	V	61.9	Low	56.4	Low	72 Å²	72	77.2 Å²	77.2	44%	0.436	40%	0.396	S	S	.	.			trans	-87.5	-35	-178.2	179.9	0	0	0	0	111.5	V20 I40 P56 A58	V20-V42 VanDerWaalsContact CG1-O 3.31Å; V20-V42 WeakPolarHBondContact CG1-O 3.14Å; I40-V42 PolarHBondContact O-N 2.88Å; V42-P56 HydrophobicContact CB-CG 4.42Å; V42-P56 WeakPolarHBondContact CB-O 3.31Å; V42-P56 PolarHBondContact N-O 3.16Å; V42-A58 HydrophobicContact CG2-CB 3.38Å
43	E	54.5	Low	55.8	Low	104 Å²	104	79.6 Å²	79.6	49%	0.486	40%	0.397	S	S	.	.			trans	-149.1	155.6	-179.4	-159	-177.8	171.8	0	0	108.7	V41 N55 P56	V41-E43 WeakPolarHBondContact CG1-O 3.42Å; E43-N55 WeakPolarHBondContact O-CA 3.16Å; E43-N55 WeakPolarHBondContact O-CB 3.47Å; E43-P56 HydrophobicContact CB-CG 3.27Å; E43-P56 HydrophobicContact CG-CG 4.49Å; E43-P56 VanDerWaalsContact O-CD 3.27Å; E43-P56 WeakPolarHBondContact O-CD 3.38Å
44	A	54.6	Low	55.1	Low	27 Å²	27	73.1 Å²	73.1	22%	0.223	38%	0.376	C	S	.	.			trans	-129.2	110.5	177.3	0	0	0	0	0	109.3	V20 P46 L52 N55	V20-A44 HydrophobicContact CG2-CB 3.68Å; A44-P46 WeakPolarHBondContact O-CD 2.86Å; A44-L52 HydrophobicContact CB-CD1 3.94Å; A44-L52 HydrophobicContact CB-CD2 3.77Å; A44-N55 WeakPolarHBondContact CA-OD1 3.34Å; A44-N55 WeakPolarHBondContact CB-OD1 3.41Å
45	L	50.2	Low	54.3	Low	69 Å²	69	66.3 Å²	66.3	36%	0.361	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114	176.9	-60.7	169.2	0	0	0	108.6	G47 R53 T54	L45-G47 PolarHBondContact O-N 2.88Å; L45-R53 PolarHBondContact O-N 3.31Å; L45-R53 VanDerWaalsContact O-N 3.08Å; L45-T54 WeakPolarHBondContact CB-O 3.44Å; L45-T54 VanDerWaalsContact CB-OG1 3.24Å; L45-T54 WeakPolarHBondContact CB-OG1 3.08Å; L45-T54 VanDerWaalsContact CD1-OG1 3.23Å; L45-T54 WeakPolarHBondContact CD1-OG1 3.2Å; L45-T54 WeakPolarHBondContact CG-O 3.29Å; L45-T54 PolarHBondContact N-O 2.65Å
46	P	53.5	Low	53.6	Low	101 Å²	101	58.6 Å²	58.6	66%	0.656	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.3	175	28.4	-32.7	0	0	0	109.2	A44 L52	A44-P46 WeakPolarHBondContact O-CD 2.86Å; P46-L52 HydrophobicContact CB-CD2 4.46Å
47	G	51.9	Low	52.9	Low	11 Å²	11	56.5 Å²	56.5	11%	0.113	31%	0.309	C	S	.	.			trans	-67.7	156.3	165.5	0	0	0	0	0	110.3	L45 D49 G50 L51	L45-G47 PolarHBondContact O-N 2.88Å; G47-D49 PolarHBondContact O-N 2.79Å; G47-G50 PolarHBondContact O-N 3.47Å; G47-L51 WeakPolarHBondContact CA-O 2.93Å; G47-L51 PolarHBondContact N-O 3.05Å
48	Q	46.5	Very low	52.3	Low	193 Å²	193	54.6 Å²	54.6	90%	0.902	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.1	-177.6	-162.5	167.4	4.8	0	0	114
49	D	47.4	Very low	51.7	Low	109 Å²	109	52.3 Å²	52.3	58%	0.583	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	12.4	178.8	-60.6	-55.5	0	0	0	113.9	G47 L51 R53	G47-D49 PolarHBondContact O-N 2.79Å; D49-L51 PolarHBondContact O-N 3.08Å; D49-R53 IonicContact OD2-CZ 3.52Å; D49-R53 IonicContact OD2-NH1 3.11Å; D49-R53 PolarHBondContact OD2-NH1 2.71Å; D49-R53 VanDerWaalsContact OD2-NH1 3.11Å; D49-R53 IonicContact OD2-NH2 2.59Å; D49-R53 PolarHBondContact OD2-NH2 2.75Å
50	G	45.2	Very low	50.8	Low	63 Å²	63	61.9 Å²	61.9	65%	0.649	33%	0.332	S	S	*	.	S	Bend	trans	76.6	-0.8	-176.3	0	0	0	0	0	114.5	G47	G47-G50 PolarHBondContact O-N 3.47Å
51	L	43.9	Very low	50.4	Low	55 Å²	55	60.5 Å²	60.5	29%	0.288	33%	0.325	S	S	.	.	S	Bend	trans	-91.2	128.6	173.4	-70	163.5	0	0	0	109.3	G47 D49 R53 R84	G47-L51 WeakPolarHBondContact CA-O 2.93Å; G47-L51 PolarHBondContact N-O 3.05Å; D49-L51 PolarHBondContact O-N 3.08Å; L51-R53 PolarHBondContact O-N 2.75Å; L51-R84 HydrophobicContact CD1-CG 4.31Å
52	L	49.8	Very low	49.6	Very low	23 Å²	23	66.9 Å²	66.9	12%	0.12	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	112.6	173.6	-69.8	-178.3	0	0	0	109.4	N17 P18 A44 P46 Y82	N17-L52 HydrophobicContact CB-CD1 3.68Å; N17-L52 HydrophobicContact CB-CG 4.08Å; P18-L52 VanDerWaalsContact O-CD1 3.26Å; P18-L52 WeakPolarHBondContact O-CD1 3.29Å; A44-L52 HydrophobicContact CB-CD1 3.94Å; A44-L52 HydrophobicContact CB-CD2 3.77Å; P46-L52 HydrophobicContact CB-CD2 4.46Å; L52-Y82 HydrophobicContact CB-CD2 4.35Å; L52-Y82 VanDerWaalsContact O-CB 3.25Å; L52-Y82 WeakPolarHBondContact O-CB 3.39Å; L52-Y82 WeakPolarHBondContact O-CD2 3.45Å; L52-Y82 PolarHBondContact O-N 2.78Å
53	R	48	Very low	48.4	Very low	107 Å²	107	67.1 Å²	67.1	40%	0.404	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-5.6	-173.8	-88.4	-172.2	175.6	152.4	5.1	113.5	L45 D49 L51 S81	L45-R53 PolarHBondContact O-N 3.31Å; L45-R53 VanDerWaalsContact O-N 3.08Å; D49-R53 IonicContact OD2-CZ 3.52Å; D49-R53 IonicContact OD2-NH1 3.11Å; D49-R53 PolarHBondContact OD2-NH1 2.71Å; D49-R53 VanDerWaalsContact OD2-NH1 3.11Å; D49-R53 IonicContact OD2-NH2 2.59Å; D49-R53 PolarHBondContact OD2-NH2 2.75Å; L51-R53 PolarHBondContact O-N 2.75Å; R53-S81 WeakPolarHBondContact O-CA 3.34Å; R53-S81 WeakPolarHBondContact O-CB 2.81Å; R53-S81 PolarHBondContact O-OG 3.4Å
54	T	45.2	Very low	47.7	Very low	29 Å²	29	65.8 Å²	65.8	18%	0.178	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	109.7	176.1	35.7	0	0	0	0	109.2	L45 A80	L45-T54 WeakPolarHBondContact CB-O 3.44Å; L45-T54 VanDerWaalsContact CB-OG1 3.24Å; L45-T54 WeakPolarHBondContact CB-OG1 3.08Å; L45-T54 VanDerWaalsContact CD1-OG1 3.23Å; L45-T54 WeakPolarHBondContact CD1-OG1 3.2Å; L45-T54 WeakPolarHBondContact CG-O 3.29Å; L45-T54 PolarHBondContact N-O 2.65Å; T54-A80 CarbonylContact C-O 3.48Å; T54-A80 WeakPolarHBondContact CA-O 3.25Å; T54-A80 PolarHBondContact N-O 2.78Å
55	N	50	Low	46.5	Very low	0 Å²	0	69.2 Å²	69.2	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.5	170.2	-71.7	5.1	0	0	0	108.6	V41 E43 A44 I57 A80	V41-N55 HydrophobicContact CG1-CB 3.97Å; E43-N55 WeakPolarHBondContact O-CA 3.16Å; E43-N55 WeakPolarHBondContact O-CB 3.47Å; A44-N55 WeakPolarHBondContact CA-OD1 3.34Å; A44-N55 WeakPolarHBondContact CB-OD1 3.41Å; N55-I57 PolarHBondContact O-N 2.86Å; N55-I57 VanDerWaalsContact O-N 3.16Å; N55-A80 HydrophobicContact CB-CB 4.38Å; N55-A80 PolarHBondContact N-O 3.02Å; N55-A80 PolarHBondContact O-N 2.79Å
56	P	47.4	Very low	46	Very low	9 Å²	9	70.3 Å²	70.3	6%	0.058	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	116.1	161.8	24.3	-33.7	0	0	0	108.9	V42 E43 L77 F78	V42-P56 HydrophobicContact CB-CG 4.42Å; V42-P56 WeakPolarHBondContact CB-O 3.31Å; V42-P56 PolarHBondContact N-O 3.16Å; E43-P56 HydrophobicContact CB-CG 3.27Å; E43-P56 HydrophobicContact CG-CG 4.49Å; E43-P56 VanDerWaalsContact O-CD 3.27Å; E43-P56 WeakPolarHBondContact O-CD 3.38Å; P56-L77 HydrophobicContact CB-CD2 4Å; P56-F78 CarbonylContact C-O 3.35Å; P56-F78 WeakPolarHBondContact CA-O 3.4Å
57	I	50.7	Low	45.1	Very low	2 Å²	2	74.2 Å²	74.2	1%	0.01	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.5	171.7	-59.2	166.2	0	0	0	106.3	V24 V26 I40 V41 N55 V59 F78 A80 I89	V24-I57 HydrophobicContact CG2-CD1 3.98Å; V24-I57 HydrophobicContact CG2-CG1 4.16Å; V24-I57 HydrophobicContact CG2-CG2 3.69Å; V26-I57 HydrophobicContact CG2-CG2 4.18Å; I40-I57 CarbonylContact O-C 3.58Å; I40-I57 WeakPolarHBondContact O-CA 3.47Å; V41-I57 HydrophobicContact CG2-CG1 4.46Å; N55-I57 PolarHBondContact O-N 2.86Å; N55-I57 VanDerWaalsContact O-N 3.16Å; I57-V59 HydrophobicContact CG2-CG2 3.99Å; I57-F78 HydrophobicContact CB-CB 4.31Å; I57-F78 PolarHBondContact N-O 3.38Å; I57-F78 PolarHBondContact O-N 3.29Å; I57-A80 HydrophobicContact CD1-CB 3.49Å; I57-A80 VanDerWaalsContact CD1-CB 3.49Å; I57-A80 HydrophobicContact CG1-CB 4.17Å; I57-I89 HydrophobicContact CD1-CD1 3.86Å
58	A	48.7	Very low	44.1	Very low	26 Å²	26	85.1 Å²	85.1	22%	0.215	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.3	166.6	0	0	0	0	0	108.2	G39 I40 V42	G39-A58 CarbonylContact C-O 3.43Å; G39-A58 VanDerWaalsContact CA-O 3.22Å; G39-A58 WeakPolarHBondContact CA-O 3.43Å; I40-A58 PolarHBondContact N-O 3.06Å; I40-A58 PolarHBondContact O-N 3.08Å; V42-A58 HydrophobicContact CG2-CB 3.38Å
59	V	49.5	Very low	43.2	Very low	20 Å²	20	79.7 Å²	79.7	12%	0.121	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129	179.8	179.7	0	0	0	0	110.4	V26 R37 I57 F78	V26-V59 HydrophobicContact CG2-CG2 3.76Å; R37-V59 HydrophobicContact CB-CG1 3.33Å; R37-V59 HydrophobicContact CG-CG1 4.07Å; I57-V59 HydrophobicContact CG2-CG2 3.99Å; V59-F78 HydrophobicContact CB-CD2 4.1Å; V59-F78 HydrophobicContact CB-CE2 3.71Å; V59-F78 HydrophobicContact CG2-CD2 3.38Å; V59-F78 HydrophobicContact CG2-CE2 3.39Å; V59-F78 HydrophobicContact CG2-CG 4.32Å; V59-F78 HydrophobicContact CG2-CZ 4.36Å
60	R	47.3	Very low	42.5	Very low	203 Å²	203	77.6 Å²	77.6	77%	0.766	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.5	169.9	-172.8	171.9	164.2	-178	-5.1	108.1	L38 N62	L38-R60 PolarHBondContact O-N 2.84Å; L38-R60 VanDerWaalsContact O-O 3.11Å; R60-N62 PolarHBondContact O-N 2.79Å
61	D	51.2	Low	42.1	Very low	47 Å²	47	79.3 Å²	79.3	25%	0.251	45%	0.452	S	S	.	.			trans	-60.6	123.6	176	-170.8	-97.7	0	0	0	110.6	R37 G63 S64	R37-D61 IonicContact NE-OD2 3.93Å; D61-G63 PolarHBondContact O-N 3Å; D61-S64 VanDerWaalsContact OD1-C 3.26Å; D61-S64 WeakPolarHBondContact OD1-CA 3.22Å; D61-S64 PolarHBondContact OD1-N 3.24Å; D61-S64 PolarHBondContact OD1-OG 2.78Å
62	N	44.3	Very low	41.7	Very low	135 Å²	135	78.6 Å²	78.6	72%	0.722	45%	0.452	S	S	*	.	S	Bend	trans	-91.1	81.1	177.6	-171.4	38	0	0	0	109.2	R60	R60-N62 PolarHBondContact O-N 2.79Å
63	G	37.3	Very low	41.2	Very low	77 Å²	77	79.3 Å²	79.3	79%	0.794	47%	0.465	S	S	*	.	S	Bend	trans	116.4	4.3	158.8	0	0	0	0	0	118.1	D61	D61-G63 PolarHBondContact O-N 3Å
64	S	38.4	Very low	40.9	Very low	76 Å²	76	79.4 Å²	79.4	53%	0.531	47%	0.469	S	S	.	.			trans	-134.1	90.1	167.4	38.7	0	0	0	0	109.4	D61 P66	D61-S64 VanDerWaalsContact OD1-C 3.26Å; D61-S64 WeakPolarHBondContact OD1-CA 3.22Å; D61-S64 PolarHBondContact OD1-N 3.24Å; D61-S64 PolarHBondContact OD1-OG 2.78Å; S64-P66 WeakPolarHBondContact O-CD 3.07Å
65	C	30.1	Very low	40.9	Very low	98 Å²	98	81.8 Å²	81.8	66%	0.662	49%	0.486	S	S	*	.			trans	-50.5	115.9	171.2	11.8	0	0	0	0	109.5	W67	C65-W67 HydrophobicContact CB-CB 4.38Å; C65-W67 HydrophobicContact CB-CG 4.49Å; C65-W67 PolarHBondContact O-N 2.82Å
66	P	38.9	Very low	40.8	Very low	92 Å²	92	85.7 Å²	85.7	60%	0.597	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.1	173.6	-14.6	30.4	0	0	0	112	S64 R68	S64-P66 WeakPolarHBondContact O-CD 3.07Å; P66-R68 PolarHBondContact O-N 2.8Å
67	W	34.6	Very low	40.7	Very low	184 Å²	184	88 Å²	88	70%	0.697	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	12.1	-177.1	-57.7	97.5	0	0	0	115.2	C65 G73	C65-W67 HydrophobicContact CB-CB 4.38Å; C65-W67 HydrophobicContact CB-CG 4.49Å; C65-W67 PolarHBondContact O-N 2.82Å; W67-G73 VanDerWaalsContact CH2-O 3.29Å; W67-G73 WeakPolarHBondContact CH2-O 3.38Å
68	R	31.2	Very low	40.7	Very low	239 Å²	239	89.2 Å²	89.2	90%	0.902	52%	0.521	S	S	*	.	S	Bend	trans	-117.2	80	168	-73.7	-168.4	-149	-103.8	0.7	110.7	P66	P66-R68 PolarHBondContact O-N 2.8Å
69	G	29	Very low	40.5	Very low	79 Å²	79	91.3 Å²	91.3	81%	0.814	53%	0.526	S	S	*	.	S	Bend	trans	118.3	80.8	163.4	0	0	0	0	0	113.1
70	G	31.8	Very low	40.4	Very low	66 Å²	66	90.4 Å²	90.4	68%	0.68	52%	0.52	S	S	*	.	S	Bend	trans	137.2	102	171.7	0	0	0	0	0	112.3
71	S	36.4	Very low	40.1	Very low	98 Å²	98	82.3 Å²	82.3	69%	0.685	50%	0.495	S	S	*	.	S	Bend	trans	-1.9	121.9	161.8	-44.7	0	0	0	0	118.3
72	S	37	Very low	39.8	Very low	41 Å²	41	81 Å²	81	29%	0.287	49%	0.487	S	S	.	.			trans	65.8	71	156.9	70.9	0	0	0	0	118.6	H74 G96	S72-H74 PolarHBondContact O-CD2 3.27Å; S72-H74 PolarHBondContact O-N 2.73Å; S72-G96 VanDerWaalsContact OG-CA 3.29Å; S72-G96 WeakPolarHBondContact OG-CA 3.29Å; S72-G96 PolarHBondContact OG-O 2.96Å
73	G	37.8	Very low	39.6	Very low	37 Å²	37	76.1 Å²	76.1	38%	0.381	47%	0.468	S	S	.	.				30.4	14.6	112.5	0	0	0	0	0	127.1	W67	W67-G73 VanDerWaalsContact CH2-O 3.29Å; W67-G73 WeakPolarHBondContact CH2-O 3.38Å
74	H	41.4	Very low	39.6	Very low	109 Å²	109	82.9 Å²	82.9	51%	0.505	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-91	144.6	176.1	-71.7	-78.7	0	0	0	110.4	S72 E76	S72-H74 PolarHBondContact O-CD2 3.27Å; S72-H74 PolarHBondContact O-N 2.73Å; H74-E76 PolarHBondContact O-N 3.14Å
75	P	45.2	Very low	39.7	Very low	80 Å²	80	85.2 Å²	85.2	52%	0.519	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-59.7	125.2	170.6	25.6	-32	0	0	0	108.8	L77	P75-L77 PolarHBondContact O-N 2.72Å
76	E	49.2	Very low	40.1	Very low	82 Å²	82	84 Å²	84	38%	0.383	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-62.6	118.7	169.3	-70.5	-173.9	148.7	0	0	108.2	R37 H74 F78	R37-E76 IonicContact NH1-OE2 2.87Å; R37-E76 PolarHBondContact NH1-OE2 2.93Å; R37-E76 VanDerWaalsContact NH1-OE2 3.08Å; H74-E76 PolarHBondContact O-N 3.14Å; E76-F78 HydrophobicContact CB-CD2 4.17Å; E76-F78 HydrophobicContact CB-CE2 3.41Å; E76-F78 VanDerWaalsContact CB-CE2 3.41Å; E76-F78 HydrophobicContact CB-CZ 3.93Å; E76-F78 HydrophobicContact CG-CE2 4.5Å; E76-F78 WeakPolarHBondContact O-CD2 3.06Å; E76-F78 WeakPolarHBondContact OE2-CZ 3.5Å
77	L	45.8	Very low	40.3	Very low	58 Å²	58	80.7 Å²	80.7	30%	0.304	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123	174.7	-78.3	154.8	0	0	0	108.4	P56 P75 T92	P56-L77 HydrophobicContact CB-CD2 4Å; P75-L77 PolarHBondContact O-N 2.72Å; L77-T92 PolarHBondContact O-N 2.82Å; L77-T92 VanDerWaalsContact O-N 3.16Å; L77-T92 PolarHBondContact O-OG1 3.34Å
78	F	49.6	Very low	40.7	Very low	26 Å²	26	75 Å²	75	11%	0.114	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.5	177.5	-65.8	-93.5	0	0	0	110.6	P56 I57 V59 E76 I89	P56-F78 CarbonylContact C-O 3.35Å; P56-F78 WeakPolarHBondContact CA-O 3.4Å; I57-F78 HydrophobicContact CB-CB 4.31Å; I57-F78 PolarHBondContact N-O 3.38Å; I57-F78 PolarHBondContact O-N 3.29Å; V59-F78 HydrophobicContact CB-CD2 4.1Å; V59-F78 HydrophobicContact CB-CE2 3.71Å; V59-F78 HydrophobicContact CG2-CD2 3.38Å; V59-F78 HydrophobicContact CG2-CE2 3.39Å; V59-F78 HydrophobicContact CG2-CG 4.32Å; V59-F78 HydrophobicContact CG2-CZ 4.36Å; E76-F78 HydrophobicContact CB-CD2 4.17Å; E76-F78 HydrophobicContact CB-CE2 3.41Å; E76-F78 VanDerWaalsContact CB-CE2 3.41Å; E76-F78 HydrophobicContact CB-CZ 3.93Å; E76-F78 HydrophobicContact CG-CE2 4.5Å; E76-F78 WeakPolarHBondContact O-CD2 3.06Å; E76-F78 WeakPolarHBondContact OE2-CZ 3.5Å; F78-I89 HydrophobicContact CB-CG2 3.62Å; F78-I89 HydrophobicContact CD1-CG2 4.27Å; F78-I89 HydrophobicContact CG-CG2 4.37Å
79	H	44.9	Very low	41.2	Very low	71 Å²	71	64.7 Å²	64.7	33%	0.329	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.8	176.7	-66.5	-91.7	0	0	0	111.3	I89 S90	H79-I89 CarbonylContact O-C 3.5Å; H79-I89 VanDerWaalsContact O-CA 3.29Å; H79-I89 WeakPolarHBondContact O-CA 3.21Å; H79-S90 WeakPolarHBondContact CB-O 3.06Å; H79-S90 PolarHBondContact N-O 3.19Å; H79-S90 PolarHBondContact O-N 3.33Å
80	A	47.5	Very low	41.8	Very low	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.2	-179.3	0	0	0	0	0	113	T54 N55 I57 L87 L88 I89	T54-A80 CarbonylContact C-O 3.48Å; T54-A80 WeakPolarHBondContact CA-O 3.25Å; T54-A80 PolarHBondContact N-O 2.78Å; N55-A80 HydrophobicContact CB-CB 4.38Å; N55-A80 PolarHBondContact N-O 3.02Å; N55-A80 PolarHBondContact O-N 2.79Å; I57-A80 HydrophobicContact CD1-CB 3.49Å; I57-A80 VanDerWaalsContact CD1-CB 3.49Å; I57-A80 HydrophobicContact CG1-CB 4.17Å; A80-L87 HydrophobicContact CB-CD1 3.75Å; A80-L88 CarbonylContact C-O 3.46Å; A80-L88 WeakPolarHBondContact CA-O 3.25Å; A80-I89 HydrophobicContact CB-CB 4.32Å; A80-I89 HydrophobicContact CB-CD1 4.1Å; A80-I89 HydrophobicContact CB-CG1 3.69Å; A80-I89 HydrophobicContact CB-CG2 4.15Å
81	S	40.7	Very low	42.3	Very low	33 Å²	33	60.2 Å²	60.2	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.6	-179.8	-42.9	0	0	0	0	112.9	R53 L87 L88	R53-S81 WeakPolarHBondContact O-CA 3.34Å; R53-S81 WeakPolarHBondContact O-CB 2.81Å; R53-S81 PolarHBondContact O-OG 3.4Å; S81-L87 CarbonylContact O-C 3.54Å; S81-L88 PolarHBondContact N-O 3.31Å; S81-L88 PolarHBondContact O-N 3.33Å
82	Y	44.2	Very low	42.5	Very low	20 Å²	20	56.5 Å²	56.5	8%	0.078	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118	173.9	-59.9	-100.1	0	0	0	110.4	P18 L52 N86 L87	P18-Y82 HydrophobicContact CG-CE2 4.01Å; P18-Y82 WeakPolarHBondContact CG-OH 3.12Å; L52-Y82 HydrophobicContact CB-CD2 4.35Å; L52-Y82 VanDerWaalsContact O-CB 3.25Å; L52-Y82 WeakPolarHBondContact O-CB 3.39Å; L52-Y82 WeakPolarHBondContact O-CD2 3.45Å; L52-Y82 PolarHBondContact O-N 2.78Å; Y82-N86 CarbonylContact C-O 3.57Å; Y82-N86 WeakPolarHBondContact CA-O 3.26Å; Y82-L87 HydrophobicContact CD1-CB 4.11Å; Y82-L87 HydrophobicContact CD1-CD1 3.68Å; Y82-L87 HydrophobicContact CD1-CG 4.36Å; Y82-L87 HydrophobicContact CD2-CD1 3.67Å; Y82-L87 HydrophobicContact CE1-CB 3.98Å; Y82-L87 HydrophobicContact CE1-CD1 3.4Å; Y82-L87 VanDerWaalsContact CE1-CD1 3.4Å; Y82-L87 HydrophobicContact CE1-CD2 3.84Å; Y82-L87 HydrophobicContact CE1-CG 3.92Å; Y82-L87 HydrophobicContact CE2-CD1 3.41Å; Y82-L87 VanDerWaalsContact CE2-CD1 3.41Å; Y82-L87 HydrophobicContact CG-CD1 3.79Å; Y82-L87 WeakPolarHBondContact OH-CD2 3.18Å
83	G	40	Very low	42.3	Very low	33 Å²	33	56 Å²	56	34%	0.34	31%	0.308	S	S	.	.			trans	-81.4	169	156	0	0	0	0	0	110.8	D85 N86	G83-D85 PolarHBondContact O-N 3.28Å; G83-N86 PolarHBondContact N-O 2.8Å; G83-N86 PolarHBondContact O-N 2.88Å
84	R	39	Very low	42.1	Very low	218 Å²	218	58.7 Å²	58.7	82%	0.823	31%	0.307	S	S	*	.	S	Bend	trans	-48.7	-31.7	-179	-92.5	-175.5	-173.4	138.4	4.2	113.7	L51	L51-R84 HydrophobicContact CD1-CG 4.31Å
85	D	39	Very low	41.7	Very low	126 Å²	126	60.6 Å²	60.6	67%	0.674	32%	0.317	S	S	*	.	S	Bend	trans	-128.8	-1.8	-174.1	-50.6	-62.7	0	0	0	113.6	G83	G83-D85 PolarHBondContact O-N 3.28Å
86	N	39.7	Very low	41.4	Very low	71 Å²	71	57.7 Å²	57.7	38%	0.38	30%	0.301	S	S	.	.			trans	-145.6	151	-168.3	-73.7	-37	0	0	0	113.6	Y82 G83	Y82-N86 CarbonylContact C-O 3.57Å; Y82-N86 WeakPolarHBondContact CA-O 3.26Å; G83-N86 PolarHBondContact N-O 2.8Å; G83-N86 PolarHBondContact O-N 2.88Å
87	L	43.4	Very low	40.5	Very low	24 Å²	24	62.2 Å²	62.2	13%	0.126	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.6	171.6	176.5	57.5	0	0	0	110.1	A80 S81 Y82 I89 A112	A80-L87 HydrophobicContact CB-CD1 3.75Å; S81-L87 CarbonylContact O-C 3.54Å; Y82-L87 HydrophobicContact CD1-CB 4.11Å; Y82-L87 HydrophobicContact CD1-CD1 3.68Å; Y82-L87 HydrophobicContact CD1-CG 4.36Å; Y82-L87 HydrophobicContact CD2-CD1 3.67Å; Y82-L87 HydrophobicContact CE1-CB 3.98Å; Y82-L87 HydrophobicContact CE1-CD1 3.4Å; Y82-L87 VanDerWaalsContact CE1-CD1 3.4Å; Y82-L87 HydrophobicContact CE1-CD2 3.84Å; Y82-L87 HydrophobicContact CE1-CG 3.92Å; Y82-L87 HydrophobicContact CE2-CD1 3.41Å; Y82-L87 VanDerWaalsContact CE2-CD1 3.41Å; Y82-L87 HydrophobicContact CG-CD1 3.79Å; Y82-L87 WeakPolarHBondContact OH-CD2 3.18Å; L87-I89 HydrophobicContact CD1-CG1 4.27Å; L87-I89 HydrophobicContact CD2-CD1 4Å; L87-I89 HydrophobicContact CD2-CG1 4.25Å; L87-I89 HydrophobicContact CG-CD1 4.22Å; L87-I89 HydrophobicContact CG-CG1 3.89Å; L87-A112 HydrophobicContact CD2-CB 4.46Å
88	L	41.1	Very low	39.8	Very low	65 Å²	65	69 Å²	69	34%	0.34	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.7	178.3	-63.5	170.3	0	0	0	109.8	A80 S81 L137	A80-L88 CarbonylContact C-O 3.46Å; A80-L88 WeakPolarHBondContact CA-O 3.25Å; S81-L88 PolarHBondContact N-O 3.31Å; S81-L88 PolarHBondContact O-N 3.33Å; L88-L137 HydrophobicContact CD2-CD1 4.2Å
89	I	43.2	Very low	39	Very low	22 Å²	22	73.6 Å²	73.6	11%	0.113	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.1	177.4	-44.9	-174.9	0	0	0	110.4	I57 F78 H79 A80 L87 F110	I57-I89 HydrophobicContact CD1-CD1 3.86Å; F78-I89 HydrophobicContact CB-CG2 3.62Å; F78-I89 HydrophobicContact CD1-CG2 4.27Å; F78-I89 HydrophobicContact CG-CG2 4.37Å; H79-I89 CarbonylContact O-C 3.5Å; H79-I89 VanDerWaalsContact O-CA 3.29Å; H79-I89 WeakPolarHBondContact O-CA 3.21Å; A80-I89 HydrophobicContact CB-CB 4.32Å; A80-I89 HydrophobicContact CB-CD1 4.1Å; A80-I89 HydrophobicContact CB-CG1 3.69Å; A80-I89 HydrophobicContact CB-CG2 4.15Å; L87-I89 HydrophobicContact CD1-CG1 4.27Å; L87-I89 HydrophobicContact CD2-CD1 4Å; L87-I89 HydrophobicContact CD2-CG1 4.25Å; L87-I89 HydrophobicContact CG-CD1 4.22Å; L87-I89 HydrophobicContact CG-CG1 3.89Å; I89-F110 HydrophobicContact CB-CB 4.44Å; I89-F110 HydrophobicContact CB-CD1 4.34Å; I89-F110 HydrophobicContact CB-CD2 3.51Å; I89-F110 HydrophobicContact CB-CE2 3.68Å; I89-F110 HydrophobicContact CB-CG 3.85Å; I89-F110 HydrophobicContact CB-CZ 4.16Å; I89-F110 HydrophobicContact CD1-CB 3.5Å; I89-F110 VanDerWaalsContact CD1-CB 3.5Å; I89-F110 HydrophobicContact CD1-CD1 3.72Å; I89-F110 HydrophobicContact CD1-CD2 4.13Å; I89-F110 HydrophobicContact CD1-CE1 4.47Å; I89-F110 HydrophobicContact CD1-CG 3.52Å; I89-F110 HydrophobicContact CG1-CB 3.73Å; I89-F110 HydrophobicContact CG1-CD1 4.29Å; I89-F110 HydrophobicContact CG1-CD2 3.78Å; I89-F110 HydrophobicContact CG1-CE2 4.42Å; I89-F110 HydrophobicContact CG1-CG 3.68Å; I89-F110 WeakPolarHBondContact O-CE2 3.49Å
90	S	41.8	Very low	38.5	Very low	39 Å²	39	72.3 Å²	72.3	27%	0.273	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.2	173.9	-179.4	0	0	0	0	109.8	H79	H79-S90 WeakPolarHBondContact CB-O 3.06Å; H79-S90 PolarHBondContact N-O 3.19Å; H79-S90 PolarHBondContact O-N 3.33Å
91	G	42	Very low	37.9	Very low	12 Å²	12	76.1 Å²	76.1	12%	0.124	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	139.4	174.2	0	0	0	0	0	112.2
92	T	40.6	Very low	37.7	Very low	20 Å²	20	76 Å²	76	12%	0.123	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.7	158.7	56.5	0	0	0	0	108	L77	L77-T92 PolarHBondContact O-N 2.82Å; L77-T92 VanDerWaalsContact O-N 3.16Å; L77-T92 PolarHBondContact O-OG1 3.34Å
93	G	33.1	Very low	37.1	Very low	30 Å²	30	81.7 Å²	81.7	31%	0.309	42%	0.42	S	S	.	.			trans	-76.2	146	169.5	0	0	0	0	0	110.6	V100	G93-V100 WeakPolarHBondContact O-CG2 3.48Å; G93-V100 PolarHBondContact O-N 3.12Å
94	Y	33.3	Very low	36.7	Very low	93 Å²	93	83.7 Å²	83.7	37%	0.365	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124	165.5	-70	-88.7	0	0	0	108.2	Q99	Y94-Q99 HydrophobicContact CD1-CB 4.37Å; Y94-Q99 HydrophobicContact CE1-CB 4.04Å; Y94-Q99 HydrophobicContact CE1-CG 4.37Å
95	E	33.2	Very low	36.4	Very low	150 Å²	150	80 Å²	80	70%	0.701	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	98.6	170	-172.9	-177.9	162.6	0	0	106.8	R98 V100	E95-R98 PolarHBondContact N-O 3.39Å; E95-R98 PolarHBondContact O-N 2.68Å; E95-V100 HydrophobicContact CB-CG2 3.35Å
96	G	37.5	Very low	35.8	Very low	18 Å²	18	79.7 Å²	79.7	19%	0.186	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-136.6	-170.5	0	0	0	0	0	112.4	S72 R98	S72-G96 VanDerWaalsContact OG-CA 3.29Å; S72-G96 WeakPolarHBondContact OG-CA 3.29Å; S72-G96 PolarHBondContact OG-O 2.96Å; G96-R98 PolarHBondContact O-N 3.32Å
97	H	30.8	Very low	35.3	Very low	177 Å²	177	77.9 Å²	77.9	82%	0.819	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	4.6	177.7	-73.2	-59.3	0	0	0	114.4
98	R	30.3	Very low	34.8	Very low	200 Å²	200	79.1 Å²	79.1	76%	0.755	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	123	-177.7	-162.1	173.1	-178.2	176.1	-0.6	109.1	E95 G96 V100	E95-R98 PolarHBondContact N-O 3.39Å; E95-R98 PolarHBondContact O-N 2.68Å; G96-R98 PolarHBondContact O-N 3.32Å; R98-V100 PolarHBondContact O-N 3.21Å; R98-V100 VanDerWaalsContact O-N 3.09Å
99	Q	34.6	Very low	34.3	Very low	123 Å²	123	79.9 Å²	79.9	58%	0.575	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	113.3	162.2	-177.4	178.2	-12.1	0	0	106.8	Y94	Y94-Q99 HydrophobicContact CD1-CB 4.37Å; Y94-Q99 HydrophobicContact CE1-CB 4.04Å; Y94-Q99 HydrophobicContact CE1-CG 4.37Å
100	V	34.4	Very low	33.8	Very low	45 Å²	45	79.9 Å²	79.9	27%	0.273	44%	0.441	S	S	.	.			trans	-89	128.4	172.6	-131.6	0	0	0	0	106	G93 E95 R98 S102	G93-V100 WeakPolarHBondContact O-CG2 3.48Å; G93-V100 PolarHBondContact O-N 3.12Å; E95-V100 HydrophobicContact CB-CG2 3.35Å; R98-V100 PolarHBondContact O-N 3.21Å; R98-V100 VanDerWaalsContact O-N 3.09Å; V100-S102 PolarHBondContact O-N 3.21Å
101	A	33	Very low	33.3	Very low	80 Å²	80	82.6 Å²	82.6	66%	0.661	45%	0.446	S	S	*	.			trans	-51	137.5	176.8	0	0	0	0	0	109.5	Q103	A101-Q103 PolarHBondContact O-N 3.41Å
102	S	37.4	Very low	32.8	Very low	31 Å²	31	84.4 Å²	84.4	22%	0.217	46%	0.46	C	S	.	.			trans	-41.8	98.6	176.4	47.2	0	0	0	0	110.8	V100	V100-S102 PolarHBondContact O-N 3.21Å
103	Q	31.1	Very low	32.1	Very low	139 Å²	139	86.8 Å²	86.8	65%	0.65	47%	0.474	S	S	*	.			trans	-69.4	130.2	167.6	-71	-172.2	-4	0	0	106.8	A101 F105	A101-Q103 PolarHBondContact O-N 3.41Å; Q103-F105 VanDerWaalsContact C-N 3.34Å; Q103-F105 PolarHBondContact O-N 3.3Å
104	P	32.4	Very low	31.8	Very low	74 Å²	74	88.6 Å²	88.6	48%	0.481	49%	0.493	S	S	.	.			trans	-57.3	106.6	162	15.6	-17.6	0	0	0	106.1	S106 M133	P104-S106 PolarHBondContact O-N 3.45Å; P104-M133 HydrophobicContact CB-CE 3.37Å; P104-M133 HydrophobicContact CB-SD 3.5Å; P104-M133 VanDerWaalsContact CB-SD 3.5Å; P104-M133 HydrophobicContact CG-CE 3.38Å; P104-M133 HydrophobicContact CG-SD 4.19Å
105	F	31.4	Very low	31.4	Very low	141 Å²	141	89.8 Å²	89.8	62%	0.618	50%	0.502	S	S	*	.			trans	-66.8	99.3	157.7	-69.6	-79.1	0	0	0	105.3	Q103 G107 V108	Q103-F105 VanDerWaalsContact C-N 3.34Å; Q103-F105 PolarHBondContact O-N 3.3Å; F105-G107 PolarHBondContact O-N 3.43Å; F105-V108 HydrophobicContact CB-CG2 3.46Å; F105-V108 VanDerWaalsContact CB-CG2 3.46Å; F105-V108 HydrophobicContact CG-CG2 4.33Å
106	S	28.1	Very low	30.9	Very low	119 Å²	119	88.9 Å²	88.9	83%	0.832	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	103.8	176	68.3	0	0	0	0	107.6	P104	P104-S106 PolarHBondContact O-N 3.45Å
107	G	29.4	Very low	30.2	Very low	34 Å²	34	92.5 Å²	92.5	35%	0.351	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	62	179.3	0	0	0	0	0	113.6	D29 F105	D29-G107 WeakPolarHBondContact CB-O 3.37Å; D29-G107 VanDerWaalsContact OD2-O 3.04Å; F105-G107 PolarHBondContact O-N 3.43Å
108	V	31.1	Very low	29.9	Very low	49 Å²	49	94 Å²	94	30%	0.297	53%	0.529	S	S	.	.			trans	-129	105.5	157.7	-159.4	0	0	0	0	109.9	E28 D29 F105 F110	E28-V108 HydrophobicContact CB-CG1 4.49Å; D29-V108 WeakPolarHBondContact OD2-CA 3.35Å; D29-V108 PolarHBondContact OD2-N 3.4Å; D29-V108 VanDerWaalsContact OD2-N 3.14Å; F105-V108 HydrophobicContact CB-CG2 3.46Å; F105-V108 VanDerWaalsContact CB-CG2 3.46Å; F105-V108 HydrophobicContact CG-CG2 4.33Å; V108-F110 HydrophobicContact CB-CE2 3.71Å; V108-F110 HydrophobicContact CB-CZ 3.82Å; V108-F110 HydrophobicContact CG1-CD1 4.29Å; V108-F110 HydrophobicContact CG1-CD2 4.12Å; V108-F110 HydrophobicContact CG1-CE1 3.58Å; V108-F110 HydrophobicContact CG1-CE2 3.41Å; V108-F110 VanDerWaalsContact CG1-CE2 3.41Å; V108-F110 HydrophobicContact CG1-CZ 3.12Å; V108-F110 WeakPolarHBondContact O-CE2 3.43Å
109	S	31.3	Very low	29.7	Very low	81 Å²	81	88.7 Å²	88.7	57%	0.566	52%	0.519	S	S	*	.			trans	-105	111.7	178.6	176.4	0	0	0	0	108.9	D29	D29-S109 WeakPolarHBondContact OD1-CB 3.49Å; D29-S109 PolarHBondContact OD1-N 3.38Å; D29-S109 WeakPolarHBondContact OD2-CB 3.24Å; D29-S109 PolarHBondContact OD2-N 2.71Å
110	F	32.2	Very low	29.2	Very low	22 Å²	22	92.3 Å²	92.3	10%	0.096	54%	0.536	C	S	.	.			trans	-94.1	128.1	-175.9	-57.3	-94.7	0	0	0	110.7	V26 A27 I89 V108	V26-F110 HydrophobicContact CG1-CD1 3.5Å; V26-F110 VanDerWaalsContact CG1-CD1 3.5Å; V26-F110 HydrophobicContact CG1-CE1 3.36Å; A27-F110 WeakPolarHBondContact O-CD1 3.42Å; A27-F110 WeakPolarHBondContact O-CE1 3.33Å; A27-F110 WeakPolarHBondContact O-CG 3.41Å; I89-F110 HydrophobicContact CB-CB 4.44Å; I89-F110 HydrophobicContact CB-CD1 4.34Å; I89-F110 HydrophobicContact CB-CD2 3.51Å; I89-F110 HydrophobicContact CB-CE2 3.68Å; I89-F110 HydrophobicContact CB-CG 3.85Å; I89-F110 HydrophobicContact CB-CZ 4.16Å; I89-F110 HydrophobicContact CD1-CB 3.5Å; I89-F110 VanDerWaalsContact CD1-CB 3.5Å; I89-F110 HydrophobicContact CD1-CD1 3.72Å; I89-F110 HydrophobicContact CD1-CD2 4.13Å; I89-F110 HydrophobicContact CD1-CE1 4.47Å; I89-F110 HydrophobicContact CD1-CG 3.52Å; I89-F110 HydrophobicContact CG1-CB 3.73Å; I89-F110 HydrophobicContact CG1-CD1 4.29Å; I89-F110 HydrophobicContact CG1-CD2 3.78Å; I89-F110 HydrophobicContact CG1-CE2 4.42Å; I89-F110 HydrophobicContact CG1-CG 3.68Å; I89-F110 WeakPolarHBondContact O-CE2 3.49Å; V108-F110 HydrophobicContact CB-CE2 3.71Å; V108-F110 HydrophobicContact CB-CZ 3.82Å; V108-F110 HydrophobicContact CG1-CD1 4.29Å; V108-F110 HydrophobicContact CG1-CD2 4.12Å; V108-F110 HydrophobicContact CG1-CE1 3.58Å; V108-F110 HydrophobicContact CG1-CE2 3.41Å; V108-F110 VanDerWaalsContact CG1-CE2 3.41Å; V108-F110 HydrophobicContact CG1-CZ 3.12Å; V108-F110 WeakPolarHBondContact O-CE2 3.43Å
111	R	31.8	Very low	28.8	Very low	96 Å²	96	93.5 Å²	93.5	36%	0.362	54%	0.535	S	S	.	.			trans	-112.5	113.3	-177.9	-160	179.4	-170	125.4	40.8	109.4	A27 W36 V113 Q115 V117	A27-R111 HydrophobicContact CB-CB 4.23Å; W36-R111 HydrophobicContact CH2-CB 4.49Å; R111-V113 PolarHBondContact O-N 2.83Å; R111-Q115 VanDerWaalsContact CZ-O 3.23Å; R111-Q115 PolarHBondContact NE-O 2.8Å; R111-Q115 PolarHBondContact NH2-O 2.87Å; R111-V117 VanDerWaalsContact CZ-N 3.35Å; R111-V117 PolarHBondContact NH1-O 3.31Å; R111-V117 PolarHBondContact NH2-O 2.6Å
112	A	30.9	Very low	28.4	Very low	51 Å²	51	99.9 Å²	99.9	42%	0.421	54%	0.542	S	S	.	.			trans	-56.2	124.7	167.1	0	0	0	0	0	108.5	L87 G114	L87-A112 HydrophobicContact CD2-CB 4.46Å; A112-G114 PolarHBondContact O-N 2.65Å
113	V	27.1	Very low	27.9	Very low	69 Å²	69	102 Å²	102	42%	0.418	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	96.5	-176.6	173	0	0	0	0	108.7	L25 W36 R111	L25-V113 HydrophobicContact CB-CB 4.35Å; L25-V113 HydrophobicContact CB-CG2 3.5Å; L25-V113 VanDerWaalsContact CB-CG2 3.5Å; L25-V113 HydrophobicContact CD1-CB 4.11Å; L25-V113 HydrophobicContact CD1-CG1 4.18Å; L25-V113 HydrophobicContact CD1-CG2 3.67Å; L25-V113 HydrophobicContact CG-CG2 4.16Å; W36-V113 HydrophobicContact CE3-CG2 4.11Å; W36-V113 HydrophobicContact CZ3-CG2 3.71Å; R111-V113 PolarHBondContact O-N 2.83Å
114	G	26.3	Very low	27.6	Very low	68 Å²	68	101.6 Å²	101.6	70%	0.701	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.4	-35.8	178.7	0	0	0	0	0	115	A112	A112-G114 PolarHBondContact O-N 2.65Å
115	Q	24.5	Very low	27.4	Very low	119 Å²	119	101 Å²	101	56%	0.556	56%	0.556	S	S	*	*			trans	-149.1	134	-174.6	-63.1	-174.9	-11.6	0	0	112.9	R111	R111-Q115 VanDerWaalsContact CZ-O 3.23Å; R111-Q115 PolarHBondContact NE-O 2.8Å; R111-Q115 PolarHBondContact NH2-O 2.87Å
116	T	23.2	Very low	27.3	Very low	130 Å²	130	101.4 Å²	101.4	80%	0.798	56%	0.559	S	S	*	*			trans	-102.2	113.3	-176.9	-52.5	0	0	0	0	110.7
117	V	23.9	Very low	27.3	Very low	95 Å²	95	104.2 Å²	104.2	58%	0.576	56%	0.559	S	S	*	*			trans	-142.1	119.2	167.8	-177	0	0	0	0	107.1	R111 T119	R111-V117 VanDerWaalsContact CZ-N 3.35Å; R111-V117 PolarHBondContact NH1-O 3.31Å; R111-V117 PolarHBondContact NH2-O 2.6Å; V117-T119 PolarHBondContact O-N 2.69Å
118	K	24.5	Very low	27.4	Very low	208 Å²	208	112 Å²	112	90%	0.904	58%	0.578	S	S	*	*			trans	-71.5	126.2	174.9	-87.9	178.8	170.5	-179.4	0	108.6
119	T	25.6	Very low	27.4	Very low	89 Å²	89	117.1 Å²	117.1	55%	0.546	60%	0.604	S	S	.	*			trans	-140.2	121.7	169	-67.2	0	0	0	0	107.5	V117 R121	V117-T119 PolarHBondContact O-N 2.69Å; T119-R121 HydrophobicContact CG2-CG 3.82Å
120	E	24.1	Very low	27.4	Very low	198 Å²	198	120.2 Å²	120.2	93%	0.925	61%	0.614	S	S	*	*			trans	-93.9	117.4	176.6	-165.5	177.5	126.5	0	0	106.5
121	R	25.7	Very low	27.4	Very low	70 Å²	70	122.8 Å²	122.8	26%	0.264	64%	0.64	S	S	.	*			trans	-138.1	144.2	176.6	-77.3	-170.2	-152.5	178.2	25.3	113	T119 L137 D138 D139	T119-R121 HydrophobicContact CG2-CG 3.82Å; R121-L137 HydrophobicContact CB-CD2 3.56Å; R121-L137 HydrophobicContact CG-CD2 4.36Å; R121-L137 PolarHBondContact NH1-O 2.87Å; R121-D138 WeakPolarHBondContact CD-O 3.46Å; R121-D139 IonicContact CZ-OD1 2.92Å; R121-D139 IonicContact CZ-OD2 2.94Å; R121-D139 IonicContact NE-OD1 3.31Å; R121-D139 PolarHBondContact NE-OD1 3.11Å; R121-D139 IonicContact NH1-OD1 3.6Å; R121-D139 IonicContact NH1-OD2 3.68Å; R121-D139 PolarHBondContact NH1-OD2 3.18Å; R121-D139 IonicContact NH2-OD1 2.65Å; R121-D139 PolarHBondContact NH2-OD1 3.49Å; R121-D139 IonicContact NH2-OD2 2.6Å; R121-D139 PolarHBondContact NH2-OD2 2.9Å
122	R	25	Very low	27.2	Very low	215 Å²	215	125 Å²	125	81%	0.811	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-91	124.6	-178.5	-165.4	175.5	-172.3	164.3	1.1	108.3
123	C	25.9	Very low	27	Very low	74 Å²	74	125 Å²	125	50%	0.5	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-89	127.8	-179.4	-58.3	0	0	0	0	110.9	V135	C123-V135 HydrophobicContact CB-CG1 3.84Å
124	H	25.5	Very low	27.1	Very low	131 Å²	131	126.8 Å²	126.8	61%	0.606	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102	121.1	158.3	-84.8	-96.2	0	0	0	107.7
125	A	28.7	Very low	27.2	Very low	63 Å²	63	125.5 Å²	125.5	52%	0.521	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	124.9	172.8	0	0	0	0	0	108.4	M133	A125-M133 HydrophobicContact CB-CG 4.49Å; A125-M133 HydrophobicContact CB-SD 4.11Å
126	E	27.7	Very low	27.3	Very low	148 Å²	148	125.8 Å²	125.8	69%	0.692	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.1	126.1	168.3	-167.1	168.3	98.7	0	0	108.3
127	E	29.6	Very low	27.6	Very low	179 Å²	179	122.4 Å²	122.4	84%	0.836	61%	0.608	S	S	*	*			trans	-86.2	125.3	179.2	-172.4	176	107.2	0	0	108.9
128	R	30.2	Very low	27.7	Very low	198 Å²	198	123.6 Å²	123.6	75%	0.747	61%	0.611	S	S	*	*			trans	-122.4	136.6	163.6	-96	-174.5	161.7	-170.8	-4.8	108.6	D130	R128-D130 PolarHBondContact O-N 2.78Å
129	D	31.8	Very low	27.9	Very low	155 Å²	155	118.2 Å²	118.2	83%	0.829	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.9	133.8	177.1	-64.6	-91.8	0	0	0	111.7
130	D	30.8	Very low	28	Very low	146 Å²	146	119 Å²	119	78%	0.781	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.3	87.9	177.8	-54.7	-54.5	0	0	0	117.1	R128 H132	R128-D130 PolarHBondContact O-N 2.78Å; D130-H132 VanDerWaalsContact C-N 3.32Å; D130-H132 PolarHBondContact O-CD2 2.86Å; D130-H132 PolarHBondContact O-N 2.83Å
131	A	32.4	Very low	28.3	Very low	77 Å²	77	115 Å²	115	64%	0.636	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.9	4.7	151.1	0	0	0	0	0	120.3
132	H	28.4	Very low	28.4	Very low	143 Å²	143	119 Å²	119	66%	0.662	61%	0.607	S	S	*	*			trans	-127.7	105.8	179.2	-65	-72	0	0	0	112.3	D130	D130-H132 VanDerWaalsContact C-N 3.32Å; D130-H132 PolarHBondContact O-CD2 2.86Å; D130-H132 PolarHBondContact O-N 2.83Å
133	M	25.6	Very low	28.5	Very low	50 Å²	50	114.8 Å²	114.8	25%	0.246	61%	0.607	C	S	.	*			trans	-86	119.1	167.8	-164.5	-180	-75.6	0	0	109.8	P104 A125 V135	P104-M133 HydrophobicContact CB-CE 3.37Å; P104-M133 HydrophobicContact CB-SD 3.5Å; P104-M133 VanDerWaalsContact CB-SD 3.5Å; P104-M133 HydrophobicContact CG-CE 3.38Å; P104-M133 HydrophobicContact CG-SD 4.19Å; A125-M133 HydrophobicContact CB-CG 4.49Å; A125-M133 HydrophobicContact CB-SD 4.11Å; M133-V135 HydrophobicContact CG-CG2 4.41Å; M133-V135 HydrophobicContact SD-CG2 4.46Å
134	I	28.9	Very low	28.9	Very low	107 Å²	107	114.2 Å²	114.2	55%	0.549	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	110.3	172	-58	177.8	0	0	0	107.1
135	V	29	Very low	29	Very low	41 Å²	41	116.3 Å²	116.3	25%	0.248	62%	0.624	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	110.7	172.7	-167.4	0	0	0	0	107.8	C123 M133	C123-V135 HydrophobicContact CB-CG1 3.84Å; M133-V135 HydrophobicContact CG-CG2 4.41Å; M133-V135 HydrophobicContact SD-CG2 4.46Å
136	H	26.5	Very low	29.3	Very low	125 Å²	125	121.1 Å²	121.1	58%	0.579	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79	123.4	169.8	-79.6	-89.6	0	0	0	109
137	L	29.3	Very low	29.7	Very low	59 Å²	59	125.4 Å²	125.4	31%	0.309	66%	0.662	S	S	.	*			trans	-104.2	93.8	172.9	-80.4	149.3	0	0	0	108.6	L88 R121 D139	L88-L137 HydrophobicContact CD2-CD1 4.2Å; R121-L137 HydrophobicContact CB-CD2 3.56Å; R121-L137 HydrophobicContact CG-CD2 4.36Å; R121-L137 PolarHBondContact NH1-O 2.87Å; L137-D139 PolarHBondContact O-N 3.36Å
138	D	26.8	Very low	29.7	Very low	120 Å²	120	122.8 Å²	122.8	64%	0.642	65%	0.653	S	S	*	*			trans	-67.1	121.4	169.1	-71.9	-68.8	0	0	0	110.2	R121 V140	R121-D138 WeakPolarHBondContact CD-O 3.46Å; D138-V140 PolarHBondContact O-N 2.92Å
139	D	28	Very low	29.7	Very low	94 Å²	94	118.8 Å²	118.8	50%	0.503	65%	0.648	S	S	.	*			trans	-71.4	108.4	171.4	-117.6	-50.9	0	0	0	109.7	R121 L137 V141	R121-D139 IonicContact CZ-OD1 2.92Å; R121-D139 IonicContact CZ-OD2 2.94Å; R121-D139 IonicContact NE-OD1 3.31Å; R121-D139 PolarHBondContact NE-OD1 3.11Å; R121-D139 IonicContact NH1-OD1 3.6Å; R121-D139 IonicContact NH1-OD2 3.68Å; R121-D139 PolarHBondContact NH1-OD2 3.18Å; R121-D139 IonicContact NH2-OD1 2.65Å; R121-D139 PolarHBondContact NH2-OD1 3.49Å; R121-D139 IonicContact NH2-OD2 2.6Å; R121-D139 PolarHBondContact NH2-OD2 2.9Å; L137-D139 PolarHBondContact O-N 3.36Å; D139-V141 HydrophobicContact CB-CG2 4.18Å; D139-V141 WeakPolarHBondContact OD1-CG2 3.4Å
140	V	28.1	Very low	29.6	Very low	107 Å²	107	116.8 Å²	116.8	65%	0.648	64%	0.638	S	S	*	*			trans	-95.4	83.4	157.9	-169.7	0	0	0	0	107.8	D138 H142	D138-V140 PolarHBondContact O-N 2.92Å; V140-H142 WeakPolarHBondContact CG1-CE1 3.15Å; V140-H142 PolarHBondContact O-N 2.86Å; V140-H142 VanDerWaalsContact O-N 3.11Å
141	V	30	Very low	29.5	Very low	112 Å²	112	115.1 Å²	115.1	68%	0.679	63%	0.63	S	S	*	*			trans	-71.1	101.3	170.8	-178.4	0	0	0	0	108.2	D139 P143	D139-V141 HydrophobicContact CB-CG2 4.18Å; D139-V141 WeakPolarHBondContact OD1-CG2 3.4Å; V141-P143 WeakPolarHBondContact O-CD 3.42Å
142	H	27.4	Very low	29.3	Very low	154 Å²	154	117.4 Å²	117.4	71%	0.713	63%	0.629	S	S	*	*			trans	-81.3	119.9	162.7	-70.3	84.6	0	0	0	108.4	V140 G144	V140-H142 WeakPolarHBondContact CG1-CE1 3.15Å; V140-H142 PolarHBondContact O-N 2.86Å; V140-H142 VanDerWaalsContact O-N 3.11Å; H142-G144 VanDerWaalsContact C-N 3.25Å; H142-G144 PolarHBondContact O-N 3.33Å
143	P	28.5	Very low	29.4	Very low	128 Å²	128	115.7 Å²	115.7	83%	0.831	63%	0.627	S	S	*	*			trans	-71	86.2	168.8	28.5	-31.3	0	0	0	109	V141	V141-P143 WeakPolarHBondContact O-CD 3.42Å
144	G	32.9	Very low	29.6	Very low	61 Å²	61	120.4 Å²	120.4	63%	0.629	65%	0.654	S	S	*	*			trans	-93.7	104.9	175.4	0	0	0	0	0	111.2	H142 I146	H142-G144 VanDerWaalsContact C-N 3.25Å; H142-G144 PolarHBondContact O-N 3.33Å; G144-I146 PolarHBondContact O-N 3.49Å
145	H	29.2	Very low	29.7	Very low	176 Å²	176	121.5 Å²	121.5	82%	0.815	66%	0.662	S	S	*	*			trans	-28.1	125.5	164.5	-117.8	94.5	0	0	0	113.7
146	I	34.4	Very low	29.7	Very low	164 Å²	164	128.2 Å²	128.2	84%	0.841	70%	0.697	S	S	*	*			trans	-109.4	109.3	152.9	-33.9	175.6	0	0	0	104.7	G144	G144-I146 PolarHBondContact O-N 3.49Å
147	M	35.8	Very low	30	Very low	238 Å²	238	128.5 Å²	128.5	100%	1.172	71%	0.707	S	S	*	*			trans	-70.8	0	162.7	-120	-167.4	-69.4	0	0	109.4

Retrieved 147 of 147 residues in 63.3 ms (Link to these results)

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