A0A077ZEW6_TRITR Loading...

DUF2541 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 aa.

						>A0A077ZEW6_TRITR|A0A077ZEW6
MLCCTAQANDHKILGVIAMPRNETNDLALKLPVCRIVKRIQLSADHGDLQLSGASVYFKAARSASQSLNIPSEIKEGQTTDWININSDNDNKRCVSKITFSGHTVNSSDMATLKIIGDD
					

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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	36.2	Very low	50.9	Low	243 Å²	243	126.2 Å²	126.2	100%	1.197	74%	0.737	S	S	*	*				0	108.7	0	-171.2	179.6	-153.7	0	0	107.4
2	L	42.7	Very low	53.8	Low	170 Å²	170	123.7 Å²	123.7	89%	0.89	71%	0.711	S	S	*	*			trans	-174.6	78.8	156	-97.6	151.1	0	0	0	103.3	C4	L2-C4 PolarHBondContact O-N 2.84Å; L2-C4 VanDerWaalsContact O-N 3.17Å
3	C	42.4	Very low	56.7	Low	119 Å²	119	121.7 Å²	121.7	80%	0.804	70%	0.695	S	S	*	*			trans	-64.8	110.5	170.9	-165.7	0	0	0	0	105	T5	C3-T5 PolarHBondContact O-N 3.17Å
4	C	46.9	Very low	59.3	Low	120 Å²	120	114.6 Å²	114.6	81%	0.811	65%	0.654	S	S	*	*			trans	-60.8	99.4	164.5	-70.8	0	0	0	0	105.3	L2 A6	L2-C4 PolarHBondContact O-N 2.84Å; L2-C4 VanDerWaalsContact O-N 3.17Å; C4-A6 PolarHBondContact O-N 2.72Å
5	T	48	Very low	61.6	Low	121 Å²	121	108.1 Å²	108.1	74%	0.742	62%	0.621	S	S	*	*			trans	-57	94.4	153.9	48.1	0	0	0	0	104.2	C3 Q7	C3-T5 PolarHBondContact O-N 3.17Å; T5-Q7 PolarHBondContact O-N 2.76Å
6	A	50.1	Low	63.6	Low	94 Å²	94	106.3 Å²	106.3	78%	0.777	61%	0.612	S	S	*	*			trans	-63.6	74.7	157.5	0	0	0	0	0	104.7	C4 A8	C4-A6 PolarHBondContact O-N 2.72Å; A6-A8 PolarHBondContact O-N 2.87Å
7	Q	47.6	Very low	65.4	Low	134 Å²	134	101.1 Å²	101.1	63%	0.626	58%	0.582	S	S	*	*			trans	-58.5	101.8	158.5	-175.4	176.1	-16.4	0	0	102	T5 N9	T5-Q7 PolarHBondContact O-N 2.76Å; Q7-N9 VanDerWaalsContact CD-OD1 3.29Å; Q7-N9 PolarHBondContact NE2-OD1 2.67Å; Q7-N9 PolarHBondContact O-N 3.08Å; Q7-N9 PolarHBondContact O-ND2 2.74Å; Q7-N9 VanDerWaalsContact O-ND2 3.08Å
8	A	48.3	Very low	67	Low	88 Å²	88	98.3 Å²	98.3	73%	0.727	57%	0.573	S	S	*	*			trans	-60.4	75.1	161.8	0	0	0	0	0	105.1	A6 D10	A6-A8 PolarHBondContact O-N 2.87Å; A8-D10 PolarHBondContact O-N 3.38Å
9	N	53	Low	68.4	Low	75 Å²	75	93.2 Å²	93.2	40%	0.401	54%	0.543	S	S	.	.			trans	-60.4	124.6	163.2	-68.3	-74.4	0	0	0	102.6	Q7 H11	Q7-N9 VanDerWaalsContact CD-OD1 3.29Å; Q7-N9 PolarHBondContact NE2-OD1 2.67Å; Q7-N9 PolarHBondContact O-N 3.08Å; Q7-N9 PolarHBondContact O-ND2 2.74Å; Q7-N9 VanDerWaalsContact O-ND2 3.08Å; N9-H11 PolarHBondContact O-CD2 2.69Å; N9-H11 PolarHBondContact O-N 2.9Å
10	D	65.4	Low	69.7	Low	135 Å²	135	90.4 Å²	90.4	72%	0.722	53%	0.528	S	S	*	.			trans	-67	33.9	-177.5	-69.3	-49	0	0	0	112.4	A8	A8-D10 PolarHBondContact O-N 3.38Å
11	H	78.8	Confident	70.7	Confident	89 Å²	89	93.8 Å²	93.8	41%	0.412	53%	0.532	S	S	.	.			trans	-79.3	136.3	175.9	60.7	-174.1	0	0	0	111.4	N9 W82 I116 G117	N9-H11 PolarHBondContact O-CD2 2.69Å; N9-H11 PolarHBondContact O-N 2.9Å; H11-W82 HydrophobicContact CB-CH2 3.9Å; H11-W82 HydrophobicContact CB-CZ2 4.32Å; H11-I116 HydrophobicContact CB-CG2 3.75Å; H11-G117 CarbonylContact C-O 3.52Å; H11-G117 WeakPolarHBondContact CA-O 3.09Å; H11-G117 WeakPolarHBondContact CB-O 3.4Å
12	K	86.3	Confident	73.3	Confident	96 Å²	96	88.5 Å²	88.5	42%	0.417	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.7	-177.8	-170.8	173	-176.3	172.7	0	110.8	L14 G117 D119	K12-L14 PolarHBondContact O-N 2.76Å; K12-L14 VanDerWaalsContact O-N 3.12Å; K12-G117 PolarHBondContact N-O 2.85Å; K12-G117 PolarHBondContact O-N 2.79Å; K12-D119 HydrophobicContact CB-CB 4.43Å
13	I	91.6	Very high	75.6	Confident	98 Å²	98	84.5 Å²	84.5	50%	0.503	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	115	169.2	-59.2	172.8	0	0	0	108.1	V16 K114	I13-V16 HydrophobicContact CG2-CG2 4.43Å; I13-K114 HydrophobicContact CD1-CD 4.08Å; I13-K114 HydrophobicContact CG1-CD 4.28Å; I13-K114 HydrophobicContact CG2-CG 4.21Å
14	L	92.2	Very high	77.8	Confident	23 Å²	23	80.7 Å²	80.7	12%	0.12	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-32	175.2	-63.6	-175.5	0	0	0	111.1	K12 L29 L31 V37 I40 I98 I115	K12-L14 PolarHBondContact O-N 2.76Å; K12-L14 VanDerWaalsContact O-N 3.12Å; L14-L29 HydrophobicContact CB-CD2 3.98Å; L14-L31 HydrophobicContact CB-CD2 4.07Å; L14-V37 HydrophobicContact CD1-CG1 4.21Å; L14-V37 HydrophobicContact CD1-CG2 4.11Å; L14-V37 HydrophobicContact CD2-CG2 4.26Å; L14-I40 HydrophobicContact CD1-CG2 3.95Å; L14-I98 HydrophobicContact CD1-CD1 4.3Å; L14-I115 HydrophobicContact CB-CB 4.36Å; L14-I115 HydrophobicContact CB-CG2 4.15Å; L14-I115 HydrophobicContact CD1-CG2 3.98Å; L14-I115 HydrophobicContact CG-CG2 4.46Å; L14-I115 PolarHBondContact N-O 2.85Å
15	G	93.9	Very high	79.7	Confident	16 Å²	16	80.6 Å²	80.6	17%	0.165	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	179.2	174.1	0	0	0	0	0	112.2	I115	G15-I115 PolarHBondContact O-N 3.3Å
16	V	94.8	Very high	81.3	Confident	80 Å²	80	80 Å²	80	49%	0.485	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.3	176.7	-176.1	0	0	0	0	108.1	I13 T112 L113 K114	I13-V16 HydrophobicContact CG2-CG2 4.43Å; V16-T112 HydrophobicContact CG1-CG2 4.48Å; V16-L113 CarbonylContact C-O 3.41Å; V16-L113 WeakPolarHBondContact CA-O 3.29Å; V16-K114 HydrophobicContact CG2-CB 4.11Å; V16-K114 HydrophobicContact CG2-CG 4.11Å
17	I	94.1	Very high	83.3	Confident	17 Å²	17	77.1 Å²	77.1	9%	0.087	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.8	175.7	-68.7	170	0	0	0	108.2	M19 L27 L29 F100 T112 L113 I115	I17-M19 HydrophobicContact CG2-SD 4.04Å; I17-L27 HydrophobicContact CD1-CB 4.49Å; I17-L27 HydrophobicContact CG2-CB 4.01Å; I17-L27 HydrophobicContact CG2-CD1 3.95Å; I17-L27 HydrophobicContact CG2-CD2 4.34Å; I17-L27 HydrophobicContact CG2-CG 4.34Å; I17-L29 HydrophobicContact CD1-CB 3.79Å; I17-L29 HydrophobicContact CG1-CB 4.33Å; I17-F100 HydrophobicContact CD1-CD2 3.66Å; I17-F100 HydrophobicContact CD1-CE2 4.1Å; I17-T112 WeakPolarHBondContact O-CA 3.34Å; I17-L113 PolarHBondContact N-O 3.17Å; I17-L113 PolarHBondContact O-N 3.43Å; I17-I115 HydrophobicContact CD1-CD1 4.21Å; I17-I115 HydrophobicContact CG1-CD1 4.34Å
18	A	93.9	Very high	85.4	Confident	52 Å²	52	72.6 Å²	72.6	43%	0.43	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.6	164.1	0	0	0	0	0	109.2	M110	A18-M110 HydrophobicContact CB-CE 4.35Å
19	M	94.1	Very high	87.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-90.9	127.1	-178.5	-63.2	-75.5	-62.5	0	0	108.3	I17 L27 L49 L51 T104 M110 A111 L113	I17-M19 HydrophobicContact CG2-SD 4.04Å; M19-L27 HydrophobicContact CE-CD1 3.9Å; M19-L27 HydrophobicContact CG-CD1 4.47Å; M19-L27 HydrophobicContact SD-CD1 3.24Å; M19-L27 WeakPolarHBondContact SD-CD1 3.45Å; M19-L49 HydrophobicContact CB-CD2 3.63Å; M19-L49 HydrophobicContact CE-CD2 4.5Å; M19-L49 HydrophobicContact CG-CD2 3.45Å; M19-L49 VanDerWaalsContact CG-CD2 3.45Å; M19-L51 HydrophobicContact CE-CD2 3.46Å; M19-L51 VanDerWaalsContact CE-CD2 3.46Å; M19-T104 PolarHBondContact O-OG1 3.01Å; M19-M110 VanDerWaalsContact O-CB 3.31Å; M19-M110 WeakPolarHBondContact O-CB 3.42Å; M19-M110 WeakPolarHBondContact O-CG 3.31Å; M19-A111 PolarHBondContact N-O 3.28Å; M19-L113 HydrophobicContact CG-CB 3.87Å; M19-L113 HydrophobicContact SD-CB 4.12Å; M19-L113 HydrophobicContact SD-CD2 4.12Å
20	P	93.9	Very high	89.5	Confident	37 Å²	37	73.4 Å²	73.4	24%	0.24	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70.8	167.3	-178.5	30.5	-33.2	0	0	0	110.8	N22 T24 L27 H103 T104	P20-N22 VanDerWaalsContact C-N 3.31Å; P20-N22 WeakPolarHBondContact CG-O 3.23Å; P20-T24 HydrophobicContact CG-CG2 3.35Å; P20-L27 HydrophobicContact CG-CD1 4.44Å; P20-H103 CarbonylContact O-C 3.58Å; P20-H103 VanDerWaalsContact O-CA 3.31Å; P20-H103 WeakPolarHBondContact O-CA 3.46Å; P20-H103 WeakPolarHBondContact O-CB 3.33Å; P20-T104 PolarHBondContact O-N 2.69Å; P20-T104 PolarHBondContact O-OG1 3.14Å
21	R	91.4	Very high	90.6	Very high	163 Å²	163	67.7 Å²	67.7	62%	0.615	35%	0.353	S	S	*	.	S	Bend	trans	-77.8	-15	177.8	-67.6	-174	-77.9	-152.6	0.4	114.2	S108	R21-S108 PolarHBondContact NH1-O 3.31Å
22	N	90.3	Very high	91.1	Very high	131 Å²	131	69.5 Å²	69.5	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	-110.6	148.9	176.9	-64.9	-25.1	0	0	0	109.4	P20 T24 H103	P20-N22 VanDerWaalsContact C-N 3.31Å; P20-N22 WeakPolarHBondContact CG-O 3.23Å; N22-T24 PolarHBondContact O-N 3.01Å; N22-H103 VanDerWaalsContact C-CB 3.47Å; N22-H103 WeakPolarHBondContact O-CB 3.11Å
23	E	89.6	Confident	91.1	Very high	86 Å²	86	69.6 Å²	69.6	40%	0.402	38%	0.381	S	S	.	.			trans	-50.7	127.7	174.6	-174.1	63.1	-135.4	0	0	111.1	S52 G102 H103	E23-S52 WeakPolarHBondContact OE1-CB 3.49Å; E23-S52 PolarHBondContact OE1-OG 2.89Å; E23-G102 VanDerWaalsContact OE1-CA 3.23Å; E23-G102 WeakPolarHBondContact OE1-CA 3.03Å; E23-G102 PolarHBondContact OE1-N 3.35Å; E23-H103 IonicContact OE2-CE1 3.65Å; E23-H103 PolarHBondContact OE2-CE1 2.95Å; E23-H103 VanDerWaalsContact OE2-CE1 3.3Å; E23-H103 IonicContact OE2-CG 2.65Å; E23-H103 IonicContact OE2-ND1 3.45Å; E23-H103 PolarHBondContact OE2-ND1 3.07Å
24	T	90.2	Very high	90.9	Very high	39 Å²	39	66.5 Å²	66.5	24%	0.239	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.1	174.2	-179	0	0	0	0	110.4	P20 N22 L27 S101 G102	P20-T24 HydrophobicContact CG-CG2 3.35Å; N22-T24 PolarHBondContact O-N 3.01Å; T24-L27 HydrophobicContact CG2-CD1 3.44Å; T24-L27 VanDerWaalsContact CG2-CD1 3.44Å; T24-L27 HydrophobicContact CG2-CD2 4.1Å; T24-L27 HydrophobicContact CG2-CG 3.48Å; T24-L27 VanDerWaalsContact CG2-CG 3.48Å; T24-S101 CarbonylContact O-C 3.58Å; T24-S101 WeakPolarHBondContact O-CA 3.23Å; T24-S101 WeakPolarHBondContact O-CB 3.38Å; T24-G102 VanDerWaalsContact CG2-O 3.25Å; T24-G102 WeakPolarHBondContact CG2-O 3.41Å; T24-G102 PolarHBondContact N-O 2.64Å; T24-G102 VanDerWaalsContact N-O 3.17Å; T24-G102 PolarHBondContact O-N 2.92Å
25	N	85.6	Confident	90.6	Very high	118 Å²	118	68.7 Å²	68.7	63%	0.631	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	1.1	-174.5	-67	-68.8	0	0	0	114.3	S101	N25-S101 WeakPolarHBondContact CA-OG 3.38Å; N25-S101 PolarHBondContact O-OG 2.81Å
26	D	81.3	Confident	90.3	Very high	109 Å²	109	70.9 Å²	70.9	58%	0.583	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	51.3	-172.3	-156.5	-23.9	0	0	0	113.1	A28	D26-A28 PolarHBondContact O-N 3.06Å
27	L	92.9	Very high	90	Very high	33 Å²	33	67.1 Å²	67.1	17%	0.173	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	101	168.1	-66.5	170.6	0	0	0	109.8	I17 M19 P20 T24 T99 F100	I17-L27 HydrophobicContact CD1-CB 4.49Å; I17-L27 HydrophobicContact CG2-CB 4.01Å; I17-L27 HydrophobicContact CG2-CD1 3.95Å; I17-L27 HydrophobicContact CG2-CD2 4.34Å; I17-L27 HydrophobicContact CG2-CG 4.34Å; M19-L27 HydrophobicContact CE-CD1 3.9Å; M19-L27 HydrophobicContact CG-CD1 4.47Å; M19-L27 HydrophobicContact SD-CD1 3.24Å; M19-L27 WeakPolarHBondContact SD-CD1 3.45Å; P20-L27 HydrophobicContact CG-CD1 4.44Å; T24-L27 HydrophobicContact CG2-CD1 3.44Å; T24-L27 VanDerWaalsContact CG2-CD1 3.44Å; T24-L27 HydrophobicContact CG2-CD2 4.1Å; T24-L27 HydrophobicContact CG2-CG 3.48Å; T24-L27 VanDerWaalsContact CG2-CG 3.48Å; L27-T99 CarbonylContact O-C 3.55Å; L27-T99 VanDerWaalsContact O-CA 3.26Å; L27-T99 WeakPolarHBondContact O-CA 3.31Å; L27-F100 HydrophobicContact CB-CB 4.49Å; L27-F100 WeakPolarHBondContact CB-O 3.44Å; L27-F100 PolarHBondContact N-O 3.12Å; L27-F100 PolarHBondContact O-N 3.47Å
28	A	92.1	Very high	89.8	Confident	40 Å²	40	69.5 Å²	69.5	33%	0.331	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.3	-177.7	0	0	0	0	0	112.9	D26 K97 I98 T99	D26-A28 PolarHBondContact O-N 3.06Å; A28-K97 HydrophobicContact CB-CD 3.88Å; A28-K97 HydrophobicContact CB-CG 4.1Å; A28-I98 CarbonylContact C-O 3.53Å; A28-I98 WeakPolarHBondContact CA-O 3.27Å; A28-T99 HydrophobicContact CB-CG2 4.06Å
29	L	93.5	Very high	89.7	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.099	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	106.7	157.2	179.5	63.3	0	0	0	108.6	L14 I17 L31 K97 I98 I115	L14-L29 HydrophobicContact CB-CD2 3.98Å; I17-L29 HydrophobicContact CD1-CB 3.79Å; I17-L29 HydrophobicContact CG1-CB 4.33Å; L29-L31 HydrophobicContact CD2-CD2 4.23Å; L29-L31 HydrophobicContact CG-CD2 4.23Å; L29-K97 CarbonylContact O-C 3.5Å; L29-K97 VanDerWaalsContact O-CA 3.29Å; L29-K97 WeakPolarHBondContact O-CA 3.47Å; L29-I98 PolarHBondContact N-O 3.28Å; L29-I98 PolarHBondContact O-N 2.92Å; L29-I115 HydrophobicContact CD2-CB 4Å; L29-I115 HydrophobicContact CD2-CD1 4.06Å; L29-I115 HydrophobicContact CD2-CG1 4.04Å; L29-I115 HydrophobicContact CD2-CG2 4.4Å
30	K	92.8	Very high	89.6	Confident	160 Å²	160	71.8 Å²	71.8	70%	0.696	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.6	172.8	-66.5	179.6	-177.3	174.4	0	109.5	K97	K30-K97 HydrophobicContact CG-CD 4.28Å; K30-K97 HydrophobicContact CG-CG 4.17Å
31	L	89.7	Confident	89.7	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.079	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.7	173.8	-58.9	-176.6	0	0	0	108.9	L14 L29 V33 R35 V95 S96	L14-L31 HydrophobicContact CB-CD2 4.07Å; L29-L31 HydrophobicContact CD2-CD2 4.23Å; L29-L31 HydrophobicContact CG-CD2 4.23Å; L31-V33 WeakPolarHBondContact CB-O 3.47Å; L31-V33 PolarHBondContact O-N 3.35Å; L31-R35 HydrophobicContact CD1-CB 4.29Å; L31-V95 HydrophobicContact CD1-CB 4.06Å; L31-V95 HydrophobicContact CD1-CG1 3.85Å; L31-S96 PolarHBondContact N-O 2.83Å
32	P	88.1	Confident	90	Very high	128 Å²	128	63.8 Å²	63.8	83%	0.831	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-30.4	-177	25.3	-34.1	0	0	0	112.3
33	V	87.4	Confident	90.2	Very high	98 Å²	98	57.7 Å²	57.7	59%	0.594	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.1	171.5	-178.4	0	0	0	0	107	L31 R35	L31-V33 WeakPolarHBondContact CB-O 3.47Å; L31-V33 PolarHBondContact O-N 3.35Å; V33-R35 PolarHBondContact O-N 2.88Å
34	C	86.6	Confident	90.5	Very high	33 Å²	33	53.6 Å²	53.6	22%	0.223	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.1	175.1	-160.8	0	0	0	0	109.9	K59 C94 V95	C34-K59 HydrophobicContact CB-CB 4.33Å; C34-K59 HydrophobicContact CB-CD 3.93Å; C34-K59 WeakPolarHBondContact SG-CB 3.08Å; C34-C94 HydrophobicContact CB-CB 3.91Å; C34-C94 WeakPolarHBondContact CB-SG 3.31Å; C34-C94 VanDerWaalsContact SG-CA 3.59Å; C34-C94 WeakPolarHBondContact SG-CB 3.44Å; C34-C94 PolarHBondContact SG-O 2.98Å; C34-C94 CovalentContact SG-SG 2.01Å; C34-C94 PolarHBondContact SG-SG 3.3Å; C34-V95 WeakPolarHBondContact CA-O 3.43Å; C34-V95 PolarHBondContact SG-O 2.82Å
35	R	86.5	Confident	90.5	Very high	69 Å²	69	55.2 Å²	55.2	26%	0.26	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.7	-175.1	-71.8	-177.8	175.6	-95	-12.3	111.2	L31 V33 V37 C94 V95 D119	L31-R35 HydrophobicContact CD1-CB 4.29Å; V33-R35 PolarHBondContact O-N 2.88Å; R35-V37 HydrophobicContact CB-CG2 3.91Å; R35-V37 PolarHBondContact O-N 3.47Å; R35-C94 CarbonylContact O-C 3.53Å; R35-C94 VanDerWaalsContact O-CA 3.23Å; R35-C94 WeakPolarHBondContact O-CA 3.37Å; R35-C94 WeakPolarHBondContact O-CB 3.14Å; R35-V95 PolarHBondContact N-O 2.82Å; R35-V95 VanDerWaalsContact N-O 3.07Å; R35-V95 PolarHBondContact O-N 2.65Å; R35-D119 IonicContact NH1-OD2 3.34Å; R35-D119 PolarHBondContact NH1-OD2 2.91Å
36	I	87.1	Confident	90.8	Very high	62 Å²	62	52.9 Å²	52.9	32%	0.318	27%	0.273	S	S	.	.			trans	-75.5	113.7	169.1	-58.8	172.8	0	0	0	105.5	N91 C94	I36-N91 HydrophobicContact CD1-CB 4.14Å; I36-N91 VanDerWaalsContact CD1-O 3.27Å; I36-N91 WeakPolarHBondContact CD1-O 3.29Å; I36-C94 HydrophobicContact CG1-CB 4.22Å
37	V	88.6	Confident	91.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	25%	0.246	C	C	.	.			trans	-129.2	120.3	178.9	-179.2	0	0	0	0	106	L14 R35 R39 I40 I85 V95	L14-V37 HydrophobicContact CD1-CG1 4.21Å; L14-V37 HydrophobicContact CD1-CG2 4.11Å; L14-V37 HydrophobicContact CD2-CG2 4.26Å; R35-V37 HydrophobicContact CB-CG2 3.91Å; R35-V37 PolarHBondContact O-N 3.47Å; V37-R39 VanDerWaalsContact CG1-O 3.28Å; V37-R39 WeakPolarHBondContact CG1-O 3.46Å; V37-I40 HydrophobicContact CG1-CG2 3.66Å; V37-I85 HydrophobicContact CG1-CD1 4.29Å; V37-V95 HydrophobicContact CB-CG2 4.04Å; V37-V95 HydrophobicContact CG2-CG2 4.47Å
38	K	89.4	Confident	91.4	Very high	67 Å²	67	47.6 Å²	47.6	29%	0.291	25%	0.245	S	C	.	.	S	Bend	trans	-91	-36	-178.4	-57.3	178.4	-165.7	179.1	0	110.4	I85 N86 N89 D118	K38-I85 PolarHBondContact O-N 2.83Å; K38-N86 PolarHBondContact O-N 3.2Å; K38-N89 WeakPolarHBondContact CD-OD1 2.99Å; K38-N89 WeakPolarHBondContact CE-OD1 3.48Å; K38-N89 PolarHBondContact NZ-OD1 2.87Å; K38-D118 WeakPolarHBondContact CB-OD2 3.15Å; K38-D118 PolarHBondContact N-OD1 2.96Å
39	R	91.6	Very high	91.5	Very high	100 Å²	100	45.7 Å²	45.7	38%	0.377	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.3	-177.3	-56.2	173.8	-68.1	172.8	3.2	110.8	V37 W82 I83 N84 D118	V37-R39 VanDerWaalsContact CG1-O 3.28Å; V37-R39 WeakPolarHBondContact CG1-O 3.46Å; R39-W82 HydrophobicContact CB-CB 4.26Å; R39-W82 HydrophobicContact CB-CD2 4.26Å; R39-W82 HydrophobicContact CB-CE3 3.58Å; R39-W82 HydrophobicContact CB-CZ3 4.33Å; R39-I83 CarbonylContact C-O 3.48Å; R39-I83 WeakPolarHBondContact CA-O 3.38Å; R39-N84 WeakPolarHBondContact CD-OD1 2.98Å; R39-N84 VanDerWaalsContact CG-OD1 3.31Å; R39-N84 WeakPolarHBondContact CG-OD1 3.18Å; R39-D118 HydrophobicContact CB-CB 4.31Å; R39-D118 IonicContact CZ-OD2 3.91Å; R39-D118 VanDerWaalsContact N-CG 3.33Å; R39-D118 PolarHBondContact N-OD1 3.34Å; R39-D118 PolarHBondContact N-OD2 3.15Å; R39-D118 IonicContact NE-OD2 2.73Å; R39-D118 PolarHBondContact NE-OD2 3.35Å; R39-D118 IonicContact NH2-OD2 3.3Å; R39-D118 PolarHBondContact NH2-OD2 3.01Å; R39-D118 PolarHBondContact O-N 2.88Å; R39-D118 VanDerWaalsContact O-N 3.09Å
40	I	94	Very high	91.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153	171.7	60.6	169.6	0	0	0	111.6	L14 V37 L42 L68 I83 I85 I98 I115 I116	L14-I40 HydrophobicContact CD1-CG2 3.95Å; V37-I40 HydrophobicContact CG1-CG2 3.66Å; I40-L42 HydrophobicContact CD1-CD2 3.94Å; I40-L68 HydrophobicContact CD1-CD1 3.87Å; I40-I83 HydrophobicContact CG1-CB 4.11Å; I40-I83 PolarHBondContact N-O 2.79Å; I40-I83 PolarHBondContact O-N 3.25Å; I40-I85 HydrophobicContact CB-CD1 4.19Å; I40-I85 HydrophobicContact CD1-CD1 3.98Å; I40-I85 HydrophobicContact CG1-CD1 3.84Å; I40-I85 HydrophobicContact CG1-CG1 4.18Å; I40-I85 HydrophobicContact CG2-CD1 3.43Å; I40-I85 VanDerWaalsContact CG2-CD1 3.43Å; I40-I85 HydrophobicContact CG2-CG1 4.4Å; I40-I98 HydrophobicContact CD1-CD1 4.45Å; I40-I98 HydrophobicContact CG2-CD1 4.47Å; I40-I115 HydrophobicContact CB-CG2 4.29Å; I40-I115 HydrophobicContact CD1-CG2 4.29Å; I40-I115 HydrophobicContact CG2-CG2 4.17Å; I40-I116 CarbonylContact C-O 3.37Å; I40-I116 WeakPolarHBondContact CA-O 3.11Å; I40-I116 WeakPolarHBondContact CB-O 3.45Å
41	Q	95.6	Very high	91.7	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.145	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.3	159.3	-61.6	-178.1	-74.4	0	0	109.1	T79 T80 W82 I116	Q41-T79 HydrophobicContact CB-CG2 3.81Å; Q41-T79 HydrophobicContact CG-CG2 4.41Å; Q41-T80 PolarHBondContact NE2-O 2.81Å; Q41-W82 HydrophobicContact CG-CD2 3.52Å; Q41-W82 HydrophobicContact CG-CE3 3.53Å; Q41-W82 HydrophobicContact CG-CG 4.06Å; Q41-W82 HydrophobicContact CG-CH2 4.06Å; Q41-W82 HydrophobicContact CG-CZ2 4.06Å; Q41-W82 HydrophobicContact CG-CZ3 3.8Å; Q41-W82 VanDerWaalsContact OE1-CZ2 3.31Å; Q41-I116 HydrophobicContact CB-CB 4.3Å; Q41-I116 PolarHBondContact N-O 3.4Å; Q41-I116 PolarHBondContact O-N 2.81Å
42	L	96.4	Very high	92	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.6	173.1	-58.9	-178.8	0	0	0	107.8	I40 L51 I70 I74 T79 T80 I83 F100 L113 K114 I115	I40-L42 HydrophobicContact CD1-CD2 3.94Å; L42-L51 HydrophobicContact CD1-CD1 4.04Å; L42-I70 HydrophobicContact CD1-CB 4.25Å; L42-I70 HydrophobicContact CD1-CG2 3.88Å; L42-I74 HydrophobicContact CB-CD1 3.65Å; L42-I74 HydrophobicContact CD1-CD1 4.31Å; L42-T79 CarbonylContact O-C 3.4Å; L42-T79 VanDerWaalsContact O-CA 3.31Å; L42-T79 WeakPolarHBondContact O-CA 3.41Å; L42-T80 HydrophobicContact CB-CG2 3.88Å; L42-T80 PolarHBondContact N-OG1 3.19Å; L42-T80 WeakPolarHBondContact O-CG2 3.45Å; L42-T80 PolarHBondContact O-N 3.12Å; L42-I83 HydrophobicContact CD1-CD1 3.8Å; L42-I83 HydrophobicContact CG-CD1 3.81Å; L42-F100 HydrophobicContact CD1-CE1 3.87Å; L42-F100 HydrophobicContact CD2-CE1 3.63Å; L42-F100 HydrophobicContact CD2-CZ 3.69Å; L42-F100 HydrophobicContact CG-CE1 4.43Å; L42-L113 HydrophobicContact CB-CD1 3.89Å; L42-L113 HydrophobicContact CD2-CD1 4.19Å; L42-L113 HydrophobicContact CG-CD1 4.41Å; L42-K114 WeakPolarHBondContact CA-O 3.23Å; L42-I115 HydrophobicContact CD2-CG1 3.98Å; L42-I115 HydrophobicContact CD2-CG2 4.33Å
43	S	95.6	Very high	92.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.9	178.1	-177.5	0	0	0	0	109.7	D45 Q78 T79 K114	S43-D45 PolarHBondContact OG-OD1 3.33Å; S43-Q78 WeakPolarHBondContact CA-O 3.24Å; S43-Q78 PolarHBondContact OG-O 2.77Å; S43-T79 WeakPolarHBondContact CB-OG1 3.28Å; S43-T79 PolarHBondContact OG-OG1 2.81Å; S43-T79 VanDerWaalsContact OG-OG1 3.12Å; S43-K114 PolarHBondContact N-O 2.85Å; S43-K114 PolarHBondContact O-N 2.85Å
44	A	94.6	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	98	171.4	0	0	0	0	0	108.4	L49 I74 K75 G77 Q78 T112	A44-L49 HydrophobicContact CB-CD1 3.74Å; A44-L49 HydrophobicContact CB-CG 4.02Å; A44-I74 HydrophobicContact CB-CB 4.22Å; A44-I74 HydrophobicContact CB-CG2 3.67Å; A44-K75 WeakPolarHBondContact CB-O 3.46Å; A44-G77 PolarHBondContact O-N 2.81Å; A44-Q78 PolarHBondContact N-O 3.02Å; A44-T112 WeakPolarHBondContact CA-O 3.43Å
45	D	90.9	Very high	93	Very high	73 Å²	73	34.8 Å²	34.8	39%	0.39	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-21.8	-175.6	-73.6	1.7	0	0	0	112.7	S43 T112 K114	S43-D45 PolarHBondContact OG-OD1 3.33Å; D45-T112 PolarHBondContact N-O 2.74Å; D45-K114 WeakPolarHBondContact OD1-CE 3.27Å; D45-K114 IonicContact OD1-NZ 2.74Å; D45-K114 PolarHBondContact OD1-NZ 2.85Å; D45-K114 VanDerWaalsContact OD2-CD 3.29Å; D45-K114 WeakPolarHBondContact OD2-CD 3.23Å; D45-K114 WeakPolarHBondContact OD2-CE 3.23Å; D45-K114 IonicContact OD2-NZ 2.69Å; D45-K114 PolarHBondContact OD2-NZ 3.36Å
46	H	91.8	Very high	93.3	Very high	69 Å²	69	31.5 Å²	31.5	32%	0.319	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	133.3	178.4	178	60.7	0	0	0	108	D109 M110 A111 T112	H46-D109 WeakPolarHBondContact NE2-CB 3.43Å; H46-M110 PolarHBondContact CD2-O 2.85Å; H46-A111 CarbonylContact O-C 3.53Å; H46-A111 WeakPolarHBondContact O-CA 3.3Å; H46-A111 WeakPolarHBondContact O-CB 3.45Å; H46-T112 HydrophobicContact CB-CG2 4.41Å; H46-T112 PolarHBondContact N-OG1 2.01Å; H46-T112 PolarHBondContact O-N 3Å
47	G	92.6	Very high	93.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	69.4	154	-179.7	0	0	0	0	0	114.4	E76	G47-E76 WeakPolarHBondContact CA-OE2 3.34Å; G47-E76 PolarHBondContact N-OE2 2.81Å
48	D	94.6	Very high	93.5	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.16	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	144.8	174.9	-71	-10.4	0	0	0	110.7	K75 E76 T104 V105	D48-K75 HydrophobicContact CB-CD 4.37Å; D48-K75 VanDerWaalsContact CG-CD 3.48Å; D48-K75 WeakPolarHBondContact OD1-CA 3.31Å; D48-K75 WeakPolarHBondContact OD1-CD 3.31Å; D48-K75 VanDerWaalsContact OD2-CD 3.31Å; D48-K75 WeakPolarHBondContact OD2-CD 3.33Å; D48-K75 IonicContact OD2-NZ 3.02Å; D48-K75 PolarHBondContact OD2-NZ 3.48Å; D48-E76 PolarHBondContact OD1-N 2.82Å; D48-T104 WeakPolarHBondContact O-CA 3.41Å; D48-V105 HydrophobicContact CB-CG2 3.56Å; D48-V105 WeakPolarHBondContact CB-O 3.19Å; D48-V105 PolarHBondContact O-N 2.91Å
49	L	94.5	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.7	-179.8	-65.2	178.2	0	0	0	111	M19 A44 E73 I74 A111 L113	M19-L49 HydrophobicContact CB-CD2 3.63Å; M19-L49 HydrophobicContact CE-CD2 4.5Å; M19-L49 HydrophobicContact CG-CD2 3.45Å; M19-L49 VanDerWaalsContact CG-CD2 3.45Å; A44-L49 HydrophobicContact CB-CD1 3.74Å; A44-L49 HydrophobicContact CB-CG 4.02Å; L49-E73 CarbonylContact O-C 3.54Å; L49-E73 VanDerWaalsContact O-CA 3.25Å; L49-E73 WeakPolarHBondContact O-CA 3.31Å; L49-I74 HydrophobicContact CB-CB 4.27Å; L49-I74 PolarHBondContact N-O 2.89Å; L49-I74 PolarHBondContact O-N 3.23Å; L49-A111 HydrophobicContact CD2-CB 3.32Å; L49-A111 HydrophobicContact CG-CB 4.06Å; L49-L113 HydrophobicContact CD1-CB 3.8Å; L49-L113 HydrophobicContact CD1-CD1 3.68Å; L49-L113 HydrophobicContact CD1-CG 4.3Å
50	Q	95.4	Very high	92.4	Very high	91 Å²	91	33.4 Å²	33.4	43%	0.425	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.1	161.6	-171.1	167.1	17.5	0	0	108.5	S72 G102 H103 V105	Q50-S72 CarbonylContact C-O 3.52Å; Q50-S72 WeakPolarHBondContact CA-O 3.38Å; Q50-G102 CarbonylContact O-C 3.53Å; Q50-G102 WeakPolarHBondContact O-CA 3.49Å; Q50-H103 PolarHBondContact N-O 2.85Å; Q50-H103 PolarHBondContact O-N 2.96Å; Q50-H103 PolarHBondContact OE1-CE1 2.83Å; Q50-H103 VanDerWaalsContact OE1-CE1 3.32Å; Q50-H103 PolarHBondContact OE1-NE2 2.82Å; Q50-V105 HydrophobicContact CB-CG1 3.61Å; Q50-V105 HydrophobicContact CB-CG2 4.36Å
51	L	95.4	Very high	91.1	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.2	180	-55.9	178.5	0	0	0	109.6	M19 L42 I70 S72 I74 S101 L113	M19-L51 HydrophobicContact CE-CD2 3.46Å; M19-L51 VanDerWaalsContact CE-CD2 3.46Å; L42-L51 HydrophobicContact CD1-CD1 4.04Å; L51-I70 HydrophobicContact CB-CD1 3.53Å; L51-I70 HydrophobicContact CD1-CD1 3.73Å; L51-I70 HydrophobicContact CG-CD1 4.22Å; L51-S72 PolarHBondContact N-O 3.35Å; L51-S72 VanDerWaalsContact O-CA 3.31Å; L51-S72 WeakPolarHBondContact O-CA 3.48Å; L51-I74 HydrophobicContact CD1-CD1 3.64Å; L51-I74 HydrophobicContact CD1-CG1 4.26Å; L51-S101 WeakPolarHBondContact CA-O 3.46Å; L51-L113 HydrophobicContact CD2-CD2 4.38Å
52	S	94.7	Very high	89.7	Confident	73 Å²	73	48.6 Å²	48.6	51%	0.51	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-18.3	178	58.5	0	0	0	0	112.2	E23 S101 G102	E23-S52 WeakPolarHBondContact OE1-CB 3.49Å; E23-S52 PolarHBondContact OE1-OG 2.89Å; S52-S101 PolarHBondContact N-O 2.91Å; S52-S101 WeakPolarHBondContact OG-CB 3.2Å; S52-S101 PolarHBondContact OG-O 3.35Å; S52-G102 PolarHBondContact OG-N 3.05Å
53	G	95	Very high	88.3	Confident	22 Å²	22	53.3 Å²	53.3	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.4	165.9	174	0	0	0	0	0	113.6	S101	G53-S101 PolarHBondContact N-O 3.32Å; G53-S101 PolarHBondContact O-N 3.28Å
54	A	95	Very high	87.8	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.3	168.6	0	0	0	0	0	110.6	S67 L68 I70 T99 F100	A54-S67 CarbonylContact O-C 3.55Å; A54-S67 WeakPolarHBondContact O-CA 3.44Å; A54-L68 HydrophobicContact CB-CB 4.15Å; A54-L68 HydrophobicContact CB-CD1 4.35Å; A54-L68 PolarHBondContact O-N 2.82Å; A54-I70 HydrophobicContact CB-CD1 3.72Å; A54-I70 HydrophobicContact CB-CG1 4.18Å; A54-I70 HydrophobicContact CB-CG2 3.87Å; A54-T99 CarbonylContact C-O 3.53Å; A54-T99 WeakPolarHBondContact CA-O 3.37Å; A54-F100 HydrophobicContact CB-CD1 3.62Å; A54-F100 HydrophobicContact CB-CE1 3.78Å; A54-F100 HydrophobicContact CB-CG 4.47Å
55	S	93.8	Very high	87.5	Confident	28 Å²	28	58.2 Å²	58.2	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.8	175.7	-62	0	0	0	0	110.9	Q66 I98 T99	S55-Q66 CarbonylContact C-O 3.52Å; S55-Q66 VanDerWaalsContact CA-O 3.28Å; S55-Q66 WeakPolarHBondContact CA-O 3.33Å; S55-I98 CarbonylContact O-C 3.59Å; S55-I98 WeakPolarHBondContact O-CA 3.25Å; S55-T99 PolarHBondContact N-O 2.71Å; S55-T99 PolarHBondContact O-N 3.28Å; S55-T99 PolarHBondContact O-OG1 2.88Å
56	V	91.9	Very high	87.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	142	174.2	62.4	0	0	0	0	110.1	F58 S65 Q66 L68 I85 V95 I98	V56-F58 HydrophobicContact CG1-CE2 3.68Å; V56-F58 HydrophobicContact CG1-CZ 3.7Å; V56-F58 HydrophobicContact CG2-CE1 4.17Å; V56-F58 HydrophobicContact CG2-CE2 4.41Å; V56-F58 HydrophobicContact CG2-CZ 4.06Å; V56-S65 CarbonylContact O-C 3.54Å; V56-S65 WeakPolarHBondContact O-CA 3.25Å; V56-S65 WeakPolarHBondContact O-CB 3.36Å; V56-Q66 HydrophobicContact CG1-CB 3.93Å; V56-Q66 WeakPolarHBondContact CG1-O 3.07Å; V56-Q66 PolarHBondContact N-O 2.81Å; V56-Q66 PolarHBondContact O-N 3.43Å; V56-L68 HydrophobicContact CB-CD1 4.3Å; V56-L68 HydrophobicContact CB-CD2 4.21Å; V56-L68 HydrophobicContact CB-CG 4.35Å; V56-L68 HydrophobicContact CG1-CD2 3.73Å; V56-L68 HydrophobicContact CG1-CG 4.28Å; V56-I85 HydrophobicContact CB-CG2 4.34Å; V56-I85 HydrophobicContact CG1-CG2 4.11Å; V56-I85 HydrophobicContact CG2-CD1 4.38Å; V56-I85 HydrophobicContact CG2-CG2 3.81Å; V56-V95 HydrophobicContact CG2-CB 4.28Å; V56-V95 HydrophobicContact CG2-CG1 3.68Å; V56-V95 HydrophobicContact CG2-CG2 3.68Å; V56-I98 HydrophobicContact CG2-CG1 4.33Å
57	Y	91.7	Very high	87.4	Confident	78 Å²	78	60.7 Å²	60.7	31%	0.306	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.5	177.8	-64.5	-99.1	0	0	0	109.8	S96 K97 T99	Y57-S96 PolarHBondContact O-N 2.76Å; Y57-S96 PolarHBondContact O-OG 2.88Å; Y57-K97 HydrophobicContact CD2-CB 4.37Å; Y57-K97 VanDerWaalsContact CD2-CE 3.43Å; Y57-K97 HydrophobicContact CD2-CG 4.46Å; Y57-K97 PolarHBondContact N-O 3.17Å; Y57-K97 PolarHBondContact O-N 2.94Å; Y57-T99 HydrophobicContact CD2-CG2 4.29Å; Y57-T99 HydrophobicContact CE2-CG2 3.64Å
58	F	89.1	Confident	87.4	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.035	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.7	180	-56.8	-81.2	0	0	0	111.5	V56 A60 A64 Q66 I85 R93 C94 V95	V56-F58 HydrophobicContact CG1-CE2 3.68Å; V56-F58 HydrophobicContact CG1-CZ 3.7Å; V56-F58 HydrophobicContact CG2-CE1 4.17Å; V56-F58 HydrophobicContact CG2-CE2 4.41Å; V56-F58 HydrophobicContact CG2-CZ 4.06Å; F58-A60 PolarHBondContact O-N 2.81Å; F58-A60 VanDerWaalsContact O-N 3.15Å; F58-A64 HydrophobicContact CD2-CB 4.31Å; F58-A64 WeakPolarHBondContact CD2-O 3.48Å; F58-A64 PolarHBondContact N-O 3.09Å; F58-Q66 HydrophobicContact CE2-CB 4.35Å; F58-I85 HydrophobicContact CE1-CG2 3.67Å; F58-I85 HydrophobicContact CZ-CG2 3.61Å; F58-R93 HydrophobicContact CB-CB 4.49Å; F58-R93 HydrophobicContact CD1-CB 3.93Å; F58-R93 HydrophobicContact CE1-CB 4.48Å; F58-R93 HydrophobicContact CG-CB 4.34Å; F58-C94 CarbonylContact C-O 3.43Å; F58-C94 VanDerWaalsContact CA-O 3.23Å; F58-C94 WeakPolarHBondContact CA-O 3.26Å; F58-V95 HydrophobicContact CD1-CG2 4.14Å; F58-V95 HydrophobicContact CE1-CG2 3.93Å
59	K	85.3	Confident	87.3	Confident	145 Å²	145	67.1 Å²	67.1	63%	0.63	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	97.8	164.5	-164.6	176.6	-178.4	176.7	0	107.7	C34 C94	C34-K59 HydrophobicContact CB-CB 4.33Å; C34-K59 HydrophobicContact CB-CD 3.93Å; C34-K59 WeakPolarHBondContact SG-CB 3.08Å; K59-C94 PolarHBondContact N-O 3.21Å
60	A	73.5	Confident	87.3	Confident	38 Å²	38	68.1 Å²	68.1	31%	0.314	39%	0.388	S	S	.	.	S	Bend	trans	-136.1	162	172.9	0	0	0	0	0	108.9	F58 R62 S63	F58-A60 PolarHBondContact O-N 2.81Å; F58-A60 VanDerWaalsContact O-N 3.15Å; A60-R62 PolarHBondContact O-N 3.03Å; A60-S63 PolarHBondContact O-N 2.76Å
61	A	65.4	Low	87.2	Confident	115 Å²	115	66.1 Å²	66.1	95%	0.95	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-17	178.9	0	0	0	0	0	114.1
62	R	66.7	Low	87.2	Confident	235 Å²	235	69.8 Å²	69.8	89%	0.887	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	18	178.7	-64.1	-174.1	178.9	167.6	-0.2	114.4	A60 A64	A60-R62 PolarHBondContact O-N 3.03Å; R62-A64 PolarHBondContact O-N 2.94Å
63	S	67.8	Low	87.2	Confident	100 Å²	100	70.6 Å²	70.6	70%	0.699	41%	0.405	S	S	*	.			trans	43.8	63.3	178.3	-61.6	0	0	0	0	112.8	A60	A60-S63 PolarHBondContact O-N 2.76Å
64	A	84.3	Confident	87.3	Confident	34 Å²	34	69.7 Å²	69.7	28%	0.281	40%	0.395	S	S	.	.			trans	-72.3	138	179.5	0	0	0	0	0	110.3	F58 R62	F58-A64 HydrophobicContact CD2-CB 4.31Å; F58-A64 WeakPolarHBondContact CD2-O 3.48Å; F58-A64 PolarHBondContact N-O 3.09Å; R62-A64 PolarHBondContact O-N 2.94Å
65	S	88.2	Confident	87.3	Confident	72 Å²	72	72.8 Å²	72.8	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.2	170.2	60.5	0	0	0	0	110.7	V56	V56-S65 CarbonylContact O-C 3.54Å; V56-S65 WeakPolarHBondContact O-CA 3.25Å; V56-S65 WeakPolarHBondContact O-CB 3.36Å
66	Q	89.1	Confident	87.3	Confident	101 Å²	101	76.4 Å²	76.4	47%	0.472	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.1	179.5	176.7	173.2	10.3	0	0	110.1	S55 V56 F58	S55-Q66 CarbonylContact C-O 3.52Å; S55-Q66 VanDerWaalsContact CA-O 3.28Å; S55-Q66 WeakPolarHBondContact CA-O 3.33Å; V56-Q66 HydrophobicContact CG1-CB 3.93Å; V56-Q66 WeakPolarHBondContact CG1-O 3.07Å; V56-Q66 PolarHBondContact N-O 2.81Å; V56-Q66 PolarHBondContact O-N 3.43Å; F58-Q66 HydrophobicContact CE2-CB 4.35Å
67	S	92.2	Very high	87.3	Confident	93 Å²	93	79.5 Å²	79.5	65%	0.65	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.4	169.4	-57.8	0	0	0	0	110.3	A54	A54-S67 CarbonylContact O-C 3.55Å; A54-S67 WeakPolarHBondContact O-CA 3.44Å
68	L	91.9	Very high	87.5	Confident	14 Å²	14	80.7 Å²	80.7	7%	0.073	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.6	178	-58.7	-179.1	0	0	0	110	I40 A54 V56 I70 I83 I85 I98	I40-L68 HydrophobicContact CD1-CD1 3.87Å; A54-L68 HydrophobicContact CB-CB 4.15Å; A54-L68 HydrophobicContact CB-CD1 4.35Å; A54-L68 PolarHBondContact O-N 2.82Å; V56-L68 HydrophobicContact CB-CD1 4.3Å; V56-L68 HydrophobicContact CB-CD2 4.21Å; V56-L68 HydrophobicContact CB-CG 4.35Å; V56-L68 HydrophobicContact CG1-CD2 3.73Å; V56-L68 HydrophobicContact CG1-CG 4.28Å; L68-I70 HydrophobicContact CB-CG2 3.94Å; L68-I70 PolarHBondContact O-N 3.45Å; L68-I83 HydrophobicContact CB-CG2 4.29Å; L68-I85 HydrophobicContact CD1-CD1 4.33Å; L68-I85 HydrophobicContact CD1-CG1 4.25Å; L68-I85 HydrophobicContact CD2-CG1 3.9Å; L68-I98 HydrophobicContact CD1-CG2 4.38Å
69	N	92.1	Very high	87.8	Confident	151 Å²	151	83.6 Å²	83.6	81%	0.807	48%	0.48	S	S	*	.			trans	-81.8	101.9	170	-171.6	27.4	0	0	0	108.6
70	I	94.2	Very high	88.3	Confident	21 Å²	21	77.5 Å²	77.5	11%	0.108	46%	0.455	C	S	.	.			trans	-116.7	151.2	-178.3	59.6	157	0	0	0	109.8	L42 L51 A54 L68 I83	L42-I70 HydrophobicContact CD1-CB 4.25Å; L42-I70 HydrophobicContact CD1-CG2 3.88Å; L51-I70 HydrophobicContact CB-CD1 3.53Å; L51-I70 HydrophobicContact CD1-CD1 3.73Å; L51-I70 HydrophobicContact CG-CD1 4.22Å; A54-I70 HydrophobicContact CB-CD1 3.72Å; A54-I70 HydrophobicContact CB-CG1 4.18Å; A54-I70 HydrophobicContact CB-CG2 3.87Å; L68-I70 HydrophobicContact CB-CG2 3.94Å; L68-I70 PolarHBondContact O-N 3.45Å; I70-I83 HydrophobicContact CG2-CD1 3.97Å; I70-I83 HydrophobicContact CG2-CG2 4.5Å
71	P	94.7	Very high	89.3	Confident	49 Å²	49	82.6 Å²	82.6	32%	0.318	48%	0.477	S	S	.	.			trans	-64.6	146.7	171.9	27.6	-33.1	0	0	0	110.4	E73 I74 T80	P71-E73 VanDerWaalsContact C-N 3.25Å; P71-E73 PolarHBondContact O-N 2.93Å; P71-I74 HydrophobicContact CG-CD1 4.37Å; P71-I74 HydrophobicContact CG-CG1 4.04Å; P71-T80 HydrophobicContact CG-CG2 3.49Å; P71-T80 VanDerWaalsContact CG-CG2 3.49Å
72	S	94.9	Very high	90.6	Very high	84 Å²	84	81 Å²	81	59%	0.587	45%	0.446	S	S	*	.	S	Bend	trans	-74	-17.7	179.3	56.2	0	0	0	0	113.6	Q50 L51	Q50-S72 CarbonylContact C-O 3.52Å; Q50-S72 WeakPolarHBondContact CA-O 3.38Å; L51-S72 PolarHBondContact N-O 3.35Å; L51-S72 VanDerWaalsContact O-CA 3.31Å; L51-S72 WeakPolarHBondContact O-CA 3.48Å
73	E	95.1	Very high	91.8	Very high	90 Å²	90	70.5 Å²	70.5	42%	0.421	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.2	-179.2	-172.3	175.6	-158.8	0	0	110.1	L49 P71 K75	L49-E73 CarbonylContact O-C 3.54Å; L49-E73 VanDerWaalsContact O-CA 3.25Å; L49-E73 WeakPolarHBondContact O-CA 3.31Å; P71-E73 VanDerWaalsContact C-N 3.25Å; P71-E73 PolarHBondContact O-N 2.93Å; E73-K75 HydrophobicContact CG-CD 4.45Å; E73-K75 WeakPolarHBondContact OE1-CE 3.32Å; E73-K75 IonicContact OE1-NZ 2.82Å; E73-K75 PolarHBondContact OE1-NZ 2.82Å
74	I	95.6	Very high	92.9	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	116.9	171.6	-51	175.4	0	0	0	106.8	L42 A44 L49 L51 P71 Q78 T80 L113	L42-I74 HydrophobicContact CB-CD1 3.65Å; L42-I74 HydrophobicContact CD1-CD1 4.31Å; A44-I74 HydrophobicContact CB-CB 4.22Å; A44-I74 HydrophobicContact CB-CG2 3.67Å; L49-I74 HydrophobicContact CB-CB 4.27Å; L49-I74 PolarHBondContact N-O 2.89Å; L49-I74 PolarHBondContact O-N 3.23Å; L51-I74 HydrophobicContact CD1-CD1 3.64Å; L51-I74 HydrophobicContact CD1-CG1 4.26Å; P71-I74 HydrophobicContact CG-CD1 4.37Å; P71-I74 HydrophobicContact CG-CG1 4.04Å; I74-Q78 HydrophobicContact CG2-CB 4.03Å; I74-T80 HydrophobicContact CD1-CG2 3.64Å; I74-T80 HydrophobicContact CG1-CG2 4.01Å; I74-L113 HydrophobicContact CD1-CD1 4.31Å
75	K	95	Very high	93.1	Very high	70 Å²	70	68.7 Å²	68.7	30%	0.304	39%	0.386	S	S	.	.			trans	-76.3	153.1	177.2	-61.8	-59.3	-161.6	-178.2	0	111.4	A44 D48 E73 G77 Q78	A44-K75 WeakPolarHBondContact CB-O 3.46Å; D48-K75 HydrophobicContact CB-CD 4.37Å; D48-K75 VanDerWaalsContact CG-CD 3.48Å; D48-K75 WeakPolarHBondContact OD1-CA 3.31Å; D48-K75 WeakPolarHBondContact OD1-CD 3.31Å; D48-K75 VanDerWaalsContact OD2-CD 3.31Å; D48-K75 WeakPolarHBondContact OD2-CD 3.33Å; D48-K75 IonicContact OD2-NZ 3.02Å; D48-K75 PolarHBondContact OD2-NZ 3.48Å; E73-K75 HydrophobicContact CG-CD 4.45Å; E73-K75 WeakPolarHBondContact OE1-CE 3.32Å; E73-K75 IonicContact OE1-NZ 2.82Å; E73-K75 PolarHBondContact OE1-NZ 2.82Å; K75-G77 PolarHBondContact O-N 3.48Å; K75-Q78 HydrophobicContact CB-CG 3.94Å; K75-Q78 VanDerWaalsContact N-OE1 3.15Å; K75-Q78 VanDerWaalsContact O-CB 3.23Å; K75-Q78 WeakPolarHBondContact O-CB 3.31Å; K75-Q78 PolarHBondContact O-N 2.7Å
76	E	94.2	Very high	92.6	Very high	104 Å²	104	65.5 Å²	65.5	49%	0.486	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	133.8	172.6	-175.3	173	157.9	0	0	111.5	G47 D48 Q78	G47-E76 WeakPolarHBondContact CA-OE2 3.34Å; G47-E76 PolarHBondContact N-OE2 2.81Å; D48-E76 PolarHBondContact OD1-N 2.82Å; E76-Q78 PolarHBondContact O-N 2.79Å
77	G	93.3	Very high	91.5	Very high	65 Å²	65	65.2 Å²	65.2	67%	0.67	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-4.2	-176.1	0	0	0	0	0	114.9	A44 K75	A44-G77 PolarHBondContact O-N 2.81Å; K75-G77 PolarHBondContact O-N 3.48Å
78	Q	95.1	Very high	90.4	Very high	103 Å²	103	65.3 Å²	65.3	48%	0.481	37%	0.365	S	S	.	.			trans	-88.2	144.7	175.8	-64.3	-174.2	-26.2	0	0	112	S43 A44 I74 K75 E76	S43-Q78 WeakPolarHBondContact CA-O 3.24Å; S43-Q78 PolarHBondContact OG-O 2.77Å; A44-Q78 PolarHBondContact N-O 3.02Å; I74-Q78 HydrophobicContact CG2-CB 4.03Å; K75-Q78 HydrophobicContact CB-CG 3.94Å; K75-Q78 VanDerWaalsContact N-OE1 3.15Å; K75-Q78 VanDerWaalsContact O-CB 3.23Å; K75-Q78 WeakPolarHBondContact O-CB 3.31Å; K75-Q78 PolarHBondContact O-N 2.7Å; E76-Q78 PolarHBondContact O-N 2.79Å
79	T	94.9	Very high	89	Confident	70 Å²	70	68.8 Å²	68.8	43%	0.429	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-121.4	134.9	168.7	-57.5	0	0	0	0	108.2	Q41 L42 S43	Q41-T79 HydrophobicContact CB-CG2 3.81Å; Q41-T79 HydrophobicContact CG-CG2 4.41Å; L42-T79 CarbonylContact O-C 3.4Å; L42-T79 VanDerWaalsContact O-CA 3.31Å; L42-T79 WeakPolarHBondContact O-CA 3.41Å; S43-T79 WeakPolarHBondContact CB-OG1 3.28Å; S43-T79 PolarHBondContact OG-OG1 2.81Å; S43-T79 VanDerWaalsContact OG-OG1 3.12Å
80	T	95.5	Very high	87.9	Confident	16 Å²	16	63.6 Å²	63.6	10%	0.098	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-70.3	162.7	178.4	69	0	0	0	0	111.5	Q41 L42 P71 I74	Q41-T80 PolarHBondContact NE2-O 2.81Å; L42-T80 HydrophobicContact CB-CG2 3.88Å; L42-T80 PolarHBondContact N-OG1 3.19Å; L42-T80 WeakPolarHBondContact O-CG2 3.45Å; L42-T80 PolarHBondContact O-N 3.12Å; P71-T80 HydrophobicContact CG-CG2 3.49Å; P71-T80 VanDerWaalsContact CG-CG2 3.49Å; I74-T80 HydrophobicContact CD1-CG2 3.64Å; I74-T80 HydrophobicContact CG1-CG2 4.01Å
81	D	94.6	Very high	86.8	Confident	145 Å²	145	67.3 Å²	67.3	78%	0.775	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-58.9	165.7	159.4	-68.1	-40.7	0	0	0	111.1	I83	D81-I83 PolarHBondContact O-N 2.9Å
82	W	93	Very high	85.8	Confident	81 Å²	81	73.6 Å²	73.6	31%	0.307	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-63.5	118.7	175.3	-73.1	103.2	0	0	0	111.3	H11 R39 Q41 I116 D118	H11-W82 HydrophobicContact CB-CH2 3.9Å; H11-W82 HydrophobicContact CB-CZ2 4.32Å; R39-W82 HydrophobicContact CB-CB 4.26Å; R39-W82 HydrophobicContact CB-CD2 4.26Å; R39-W82 HydrophobicContact CB-CE3 3.58Å; R39-W82 HydrophobicContact CB-CZ3 4.33Å; Q41-W82 HydrophobicContact CG-CD2 3.52Å; Q41-W82 HydrophobicContact CG-CE3 3.53Å; Q41-W82 HydrophobicContact CG-CG 4.06Å; Q41-W82 HydrophobicContact CG-CH2 4.06Å; Q41-W82 HydrophobicContact CG-CZ2 4.06Å; Q41-W82 HydrophobicContact CG-CZ3 3.8Å; Q41-W82 VanDerWaalsContact OE1-CZ2 3.31Å; W82-I116 HydrophobicContact CH2-CG2 4.4Å; W82-D118 HydrophobicContact CE3-CB 4.19Å; W82-D118 HydrophobicContact CH2-CB 3.79Å; W82-D118 HydrophobicContact CZ3-CB 3.61Å
83	I	93.1	Very high	85.2	Confident	16 Å²	16	74 Å²	74	8%	0.082	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123	174.4	-62.5	146.7	0	0	0	108.4	R39 I40 L42 L68 I70 D81	R39-I83 CarbonylContact C-O 3.48Å; R39-I83 WeakPolarHBondContact CA-O 3.38Å; I40-I83 HydrophobicContact CG1-CB 4.11Å; I40-I83 PolarHBondContact N-O 2.79Å; I40-I83 PolarHBondContact O-N 3.25Å; L42-I83 HydrophobicContact CD1-CD1 3.8Å; L42-I83 HydrophobicContact CG-CD1 3.81Å; L68-I83 HydrophobicContact CB-CG2 4.29Å; I70-I83 HydrophobicContact CG2-CD1 3.97Å; I70-I83 HydrophobicContact CG2-CG2 4.5Å; D81-I83 PolarHBondContact O-N 2.9Å
84	N	90.6	Very high	84.8	Confident	93 Å²	93	71 Å²	71	50%	0.497	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.1	179.4	-64.3	-50.3	0	0	0	111.7	R39 S87	R39-N84 WeakPolarHBondContact CD-OD1 2.98Å; R39-N84 VanDerWaalsContact CG-OD1 3.31Å; R39-N84 WeakPolarHBondContact CG-OD1 3.18Å; N84-S87 WeakPolarHBondContact CB-OG 3.06Å
85	I	87.1	Confident	84.6	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.015	38%	0.375	C	S	.	.	S	Bend	trans	-110	-51.4	175.4	-67.8	-169.6	0	0	0	110.4	V37 K38 I40 V56 F58 L68 V95 I98	V37-I85 HydrophobicContact CG1-CD1 4.29Å; K38-I85 PolarHBondContact O-N 2.83Å; I40-I85 HydrophobicContact CB-CD1 4.19Å; I40-I85 HydrophobicContact CD1-CD1 3.98Å; I40-I85 HydrophobicContact CG1-CD1 3.84Å; I40-I85 HydrophobicContact CG1-CG1 4.18Å; I40-I85 HydrophobicContact CG2-CD1 3.43Å; I40-I85 VanDerWaalsContact CG2-CD1 3.43Å; I40-I85 HydrophobicContact CG2-CG1 4.4Å; V56-I85 HydrophobicContact CB-CG2 4.34Å; V56-I85 HydrophobicContact CG1-CG2 4.11Å; V56-I85 HydrophobicContact CG2-CD1 4.38Å; V56-I85 HydrophobicContact CG2-CG2 3.81Å; F58-I85 HydrophobicContact CE1-CG2 3.67Å; F58-I85 HydrophobicContact CZ-CG2 3.61Å; L68-I85 HydrophobicContact CD1-CD1 4.33Å; L68-I85 HydrophobicContact CD1-CG1 4.25Å; L68-I85 HydrophobicContact CD2-CG1 3.9Å; I85-V95 HydrophobicContact CG2-CG2 3.95Å; I85-I98 HydrophobicContact CD1-CD1 4.4Å
86	N	77.6	Confident	84.4	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.027	37%	0.373	C	S	.	.			trans	-126.8	65	-171.9	-161.5	39.3	0	0	0	110	K38 D88 N89 D90	K38-N86 PolarHBondContact O-N 3.2Å; N86-D88 PolarHBondContact O-N 3.47Å; N86-D88 PolarHBondContact OD1-OD1 2.9Å; N86-N89 PolarHBondContact O-N 2.88Å; N86-D90 PolarHBondContact ND2-O 2.73Å
87	S	67.7	Low	84.3	Confident	95 Å²	95	66.8 Å²	66.8	66%	0.664	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.1	-174.1	-51.2	0	0	0	0	114	N84 N89	N84-S87 WeakPolarHBondContact CB-OG 3.06Å; S87-N89 PolarHBondContact O-N 2.88Å
88	D	67.9	Low	84.4	Confident	94 Å²	94	63.7 Å²	63.7	50%	0.503	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.8	177.9	63	0.2	0	0	0	112.7	N86 D90	N86-D88 PolarHBondContact O-N 3.47Å; N86-D88 PolarHBondContact OD1-OD1 2.9Å; D88-D90 PolarHBondContact O-N 3.32Å; D88-D90 VanDerWaalsContact O-N 3.14Å; D88-D90 VanDerWaalsContact OD1-CB 3.31Å; D88-D90 WeakPolarHBondContact OD1-CB 3.19Å; D88-D90 PolarHBondContact OD1-N 3.3Å
89	N	63.6	Low	84.4	Confident	87 Å²	87	59.2 Å²	59.2	47%	0.465	31%	0.308	S	S	.	.			trans	55.8	26.8	-176.8	-157	19.2	0	0	0	111.5	K38 N86 S87 N91	K38-N89 WeakPolarHBondContact CD-OD1 2.99Å; K38-N89 WeakPolarHBondContact CE-OD1 3.48Å; K38-N89 PolarHBondContact NZ-OD1 2.87Å; N86-N89 PolarHBondContact O-N 2.88Å; S87-N89 PolarHBondContact O-N 2.88Å; N89-N91 PolarHBondContact O-N 3.04Å
90	D	68.9	Low	84.4	Confident	43 Å²	43	55.9 Å²	55.9	23%	0.23	29%	0.288	C	S	.	.			trans	-72.6	94.2	177.4	-175.3	7.1	0	0	0	109.1	N86 D88 K92 R93	N86-D90 PolarHBondContact ND2-O 2.73Å; D88-D90 PolarHBondContact O-N 3.32Å; D88-D90 VanDerWaalsContact O-N 3.14Å; D88-D90 VanDerWaalsContact OD1-CB 3.31Å; D88-D90 WeakPolarHBondContact OD1-CB 3.19Å; D88-D90 PolarHBondContact OD1-N 3.3Å; D90-K92 PolarHBondContact O-N 2.71Å; D90-K92 WeakPolarHBondContact OD1-CB 3.35Å; D90-K92 VanDerWaalsContact OD1-CG 3.23Å; D90-K92 WeakPolarHBondContact OD1-CG 3.44Å; D90-K92 PolarHBondContact OD1-N 3.28Å; D90-R93 PolarHBondContact O-N 2.82Å; D90-R93 VanDerWaalsContact O-N 3.07Å; D90-R93 IonicContact OD2-NE 2.93Å; D90-R93 PolarHBondContact OD2-NE 3.27Å
91	N	70.2	Confident	84.5	Confident	98 Å²	98	56 Å²	56	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-5	175.6	-67	-24.4	0	0	0	113.3	I36 N89	I36-N91 HydrophobicContact CD1-CB 4.14Å; I36-N91 VanDerWaalsContact CD1-O 3.27Å; I36-N91 WeakPolarHBondContact CD1-O 3.29Å; N89-N91 PolarHBondContact O-N 3.04Å
92	K	74.5	Confident	84.5	Confident	182 Å²	182	49.1 Å²	49.1	79%	0.791	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-16.2	175.3	-55.3	175	-178.5	176	0	112.7	D90	D90-K92 PolarHBondContact O-N 2.71Å; D90-K92 WeakPolarHBondContact OD1-CB 3.35Å; D90-K92 VanDerWaalsContact OD1-CG 3.23Å; D90-K92 WeakPolarHBondContact OD1-CG 3.44Å; D90-K92 PolarHBondContact OD1-N 3.28Å
93	R	82	Confident	84.6	Confident	93 Å²	93	46.9 Å²	46.9	35%	0.351	25%	0.245	S	C	.	.			trans	-102.4	113.8	178.7	-63.3	180	-169	-168.7	0	109.6	F58 D90	F58-R93 HydrophobicContact CB-CB 4.49Å; F58-R93 HydrophobicContact CD1-CB 3.93Å; F58-R93 HydrophobicContact CE1-CB 4.48Å; F58-R93 HydrophobicContact CG-CB 4.34Å; D90-R93 PolarHBondContact O-N 2.82Å; D90-R93 VanDerWaalsContact O-N 3.07Å; D90-R93 IonicContact OD2-NE 2.93Å; D90-R93 PolarHBondContact OD2-NE 3.27Å
94	C	87.5	Confident	84.7	Confident	25 Å²	25	46.4 Å²	46.4	17%	0.169	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.7	172.4	61.8	0	0	0	0	109.6	C34 R35 I36 F58 K59	C34-C94 HydrophobicContact CB-CB 3.91Å; C34-C94 WeakPolarHBondContact CB-SG 3.31Å; C34-C94 VanDerWaalsContact SG-CA 3.59Å; C34-C94 WeakPolarHBondContact SG-CB 3.44Å; C34-C94 PolarHBondContact SG-O 2.98Å; C34-C94 CovalentContact SG-SG 2.01Å; C34-C94 PolarHBondContact SG-SG 3.3Å; R35-C94 CarbonylContact O-C 3.53Å; R35-C94 VanDerWaalsContact O-CA 3.23Å; R35-C94 WeakPolarHBondContact O-CA 3.37Å; R35-C94 WeakPolarHBondContact O-CB 3.14Å; I36-C94 HydrophobicContact CG1-CB 4.22Å; F58-C94 CarbonylContact C-O 3.43Å; F58-C94 VanDerWaalsContact CA-O 3.23Å; F58-C94 WeakPolarHBondContact CA-O 3.26Å; K59-C94 PolarHBondContact N-O 3.21Å
95	V	90.2	Very high	84.7	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.6	175.6	-179.7	0	0	0	0	109.3	L31 C34 R35 V37 V56 F58 I85 I98	L31-V95 HydrophobicContact CD1-CB 4.06Å; L31-V95 HydrophobicContact CD1-CG1 3.85Å; C34-V95 WeakPolarHBondContact CA-O 3.43Å; C34-V95 PolarHBondContact SG-O 2.82Å; R35-V95 PolarHBondContact N-O 2.82Å; R35-V95 VanDerWaalsContact N-O 3.07Å; R35-V95 PolarHBondContact O-N 2.65Å; V37-V95 HydrophobicContact CB-CG2 4.04Å; V37-V95 HydrophobicContact CG2-CG2 4.47Å; V56-V95 HydrophobicContact CG2-CB 4.28Å; V56-V95 HydrophobicContact CG2-CG1 3.68Å; V56-V95 HydrophobicContact CG2-CG2 3.68Å; F58-V95 HydrophobicContact CD1-CG2 4.14Å; F58-V95 HydrophobicContact CE1-CG2 3.93Å; I85-V95 HydrophobicContact CG2-CG2 3.95Å; V95-I98 HydrophobicContact CG1-CD1 4.18Å; V95-I98 HydrophobicContact CG1-CG1 3.7Å
96	S	91.4	Very high	84.6	Confident	39 Å²	39	49.7 Å²	49.7	27%	0.273	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-33.7	176.1	62.9	0	0	0	0	112.7	L31 Y57	L31-S96 PolarHBondContact N-O 2.83Å; Y57-S96 PolarHBondContact O-N 2.76Å; Y57-S96 PolarHBondContact O-OG 2.88Å
97	K	92.7	Very high	84.6	Confident	50 Å²	50	51 Å²	51	22%	0.217	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	143.6	-176.8	-175.6	-177.4	69.7	153.5	0	109.2	A28 L29 K30 Y57 T99	A28-K97 HydrophobicContact CB-CD 3.88Å; A28-K97 HydrophobicContact CB-CG 4.1Å; L29-K97 CarbonylContact O-C 3.5Å; L29-K97 VanDerWaalsContact O-CA 3.29Å; L29-K97 WeakPolarHBondContact O-CA 3.47Å; K30-K97 HydrophobicContact CG-CD 4.28Å; K30-K97 HydrophobicContact CG-CG 4.17Å; Y57-K97 HydrophobicContact CD2-CB 4.37Å; Y57-K97 VanDerWaalsContact CD2-CE 3.43Å; Y57-K97 HydrophobicContact CD2-CG 4.46Å; Y57-K97 PolarHBondContact N-O 3.17Å; Y57-K97 PolarHBondContact O-N 2.94Å; K97-T99 HydrophobicContact CD-CG2 4.13Å; K97-T99 HydrophobicContact CG-CG2 4.32Å
98	I	94.2	Very high	85.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.2	167.4	-51	174.7	0	0	0	106.7	L14 A28 L29 I40 S55 V56 L68 I85 V95 F100 I115	L14-I98 HydrophobicContact CD1-CD1 4.3Å; A28-I98 CarbonylContact C-O 3.53Å; A28-I98 WeakPolarHBondContact CA-O 3.27Å; L29-I98 PolarHBondContact N-O 3.28Å; L29-I98 PolarHBondContact O-N 2.92Å; I40-I98 HydrophobicContact CD1-CD1 4.45Å; I40-I98 HydrophobicContact CG2-CD1 4.47Å; S55-I98 CarbonylContact O-C 3.59Å; S55-I98 WeakPolarHBondContact O-CA 3.25Å; V56-I98 HydrophobicContact CG2-CG1 4.33Å; L68-I98 HydrophobicContact CD1-CG2 4.38Å; I85-I98 HydrophobicContact CD1-CD1 4.4Å; V95-I98 HydrophobicContact CG1-CD1 4.18Å; V95-I98 HydrophobicContact CG1-CG1 3.7Å; I98-F100 HydrophobicContact CB-CE2 4.01Å; I98-F100 HydrophobicContact CB-CZ 4.41Å; I98-F100 HydrophobicContact CG2-CD2 4.22Å; I98-F100 HydrophobicContact CG2-CE1 4.27Å; I98-F100 HydrophobicContact CG2-CE2 3.43Å; I98-F100 VanDerWaalsContact CG2-CE2 3.43Å; I98-F100 HydrophobicContact CG2-CZ 3.46Å; I98-F100 VanDerWaalsContact CG2-CZ 3.46Å; I98-I115 HydrophobicContact CD1-CG2 4.26Å
99	T	95.4	Very high	86.1	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.8	175	58.8	0	0	0	0	109.9	L27 A28 A54 S55 Y57 K97	L27-T99 CarbonylContact O-C 3.55Å; L27-T99 VanDerWaalsContact O-CA 3.26Å; L27-T99 WeakPolarHBondContact O-CA 3.31Å; A28-T99 HydrophobicContact CB-CG2 4.06Å; A54-T99 CarbonylContact C-O 3.53Å; A54-T99 WeakPolarHBondContact CA-O 3.37Å; S55-T99 PolarHBondContact N-O 2.71Å; S55-T99 PolarHBondContact O-N 3.28Å; S55-T99 PolarHBondContact O-OG1 2.88Å; Y57-T99 HydrophobicContact CD2-CG2 4.29Å; Y57-T99 HydrophobicContact CE2-CG2 3.64Å; K97-T99 HydrophobicContact CD-CG2 4.13Å; K97-T99 HydrophobicContact CG-CG2 4.32Å
100	F	95.7	Very high	87.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.8	174.9	-62.6	-88.8	0	0	0	109.4	I17 L27 L42 A54 I98 L113 I115	I17-F100 HydrophobicContact CD1-CD2 3.66Å; I17-F100 HydrophobicContact CD1-CE2 4.1Å; L27-F100 HydrophobicContact CB-CB 4.49Å; L27-F100 WeakPolarHBondContact CB-O 3.44Å; L27-F100 PolarHBondContact N-O 3.12Å; L27-F100 PolarHBondContact O-N 3.47Å; L42-F100 HydrophobicContact CD1-CE1 3.87Å; L42-F100 HydrophobicContact CD2-CE1 3.63Å; L42-F100 HydrophobicContact CD2-CZ 3.69Å; L42-F100 HydrophobicContact CG-CE1 4.43Å; A54-F100 HydrophobicContact CB-CD1 3.62Å; A54-F100 HydrophobicContact CB-CE1 3.78Å; A54-F100 HydrophobicContact CB-CG 4.47Å; I98-F100 HydrophobicContact CB-CE2 4.01Å; I98-F100 HydrophobicContact CB-CZ 4.41Å; I98-F100 HydrophobicContact CG2-CD2 4.22Å; I98-F100 HydrophobicContact CG2-CE1 4.27Å; I98-F100 HydrophobicContact CG2-CE2 3.43Å; I98-F100 VanDerWaalsContact CG2-CE2 3.43Å; I98-F100 HydrophobicContact CG2-CZ 3.46Å; I98-F100 VanDerWaalsContact CG2-CZ 3.46Å; F100-L113 HydrophobicContact CB-CD2 4.15Å; F100-L113 HydrophobicContact CD1-CD2 3.55Å; F100-L113 HydrophobicContact CD2-CD2 3.92Å; F100-L113 HydrophobicContact CE1-CD2 3.86Å; F100-L113 HydrophobicContact CE2-CD2 4.18Å; F100-L113 HydrophobicContact CG-CD2 3.58Å; F100-L113 HydrophobicContact CZ-CD2 4.15Å; F100-I115 HydrophobicContact CE2-CD1 4.04Å; F100-I115 HydrophobicContact CE2-CG1 3.71Å; F100-I115 HydrophobicContact CZ-CD1 4.38Å; F100-I115 HydrophobicContact CZ-CG1 3.66Å
101	S	95.8	Very high	88.7	Confident	20 Å²	20	50.4 Å²	50.4	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.7	169.4	-52.3	0	0	0	0	108	T24 N25 L51 S52 G53	T24-S101 CarbonylContact O-C 3.58Å; T24-S101 WeakPolarHBondContact O-CA 3.23Å; T24-S101 WeakPolarHBondContact O-CB 3.38Å; N25-S101 WeakPolarHBondContact CA-OG 3.38Å; N25-S101 PolarHBondContact O-OG 2.81Å; L51-S101 WeakPolarHBondContact CA-O 3.46Å; S52-S101 PolarHBondContact N-O 2.91Å; S52-S101 WeakPolarHBondContact OG-CB 3.2Å; S52-S101 PolarHBondContact OG-O 3.35Å; G53-S101 PolarHBondContact N-O 3.32Å; G53-S101 PolarHBondContact O-N 3.28Å
102	G	95.5	Very high	89.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.9	-168.6	-175.7	0	0	0	0	0	112.6	E23 T24 Q50 S52	E23-G102 VanDerWaalsContact OE1-CA 3.23Å; E23-G102 WeakPolarHBondContact OE1-CA 3.03Å; E23-G102 PolarHBondContact OE1-N 3.35Å; T24-G102 VanDerWaalsContact CG2-O 3.25Å; T24-G102 WeakPolarHBondContact CG2-O 3.41Å; T24-G102 PolarHBondContact N-O 2.64Å; T24-G102 VanDerWaalsContact N-O 3.17Å; T24-G102 PolarHBondContact O-N 2.92Å; Q50-G102 CarbonylContact O-C 3.53Å; Q50-G102 WeakPolarHBondContact O-CA 3.49Å; S52-G102 PolarHBondContact OG-N 3.05Å
103	H	95.1	Very high	90.8	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	169.7	-179.4	59.9	-74.3	0	0	0	111.7	P20 N22 E23 Q50 V105	P20-H103 CarbonylContact O-C 3.58Å; P20-H103 VanDerWaalsContact O-CA 3.31Å; P20-H103 WeakPolarHBondContact O-CA 3.46Å; P20-H103 WeakPolarHBondContact O-CB 3.33Å; N22-H103 VanDerWaalsContact C-CB 3.47Å; N22-H103 WeakPolarHBondContact O-CB 3.11Å; E23-H103 IonicContact OE2-CE1 3.65Å; E23-H103 PolarHBondContact OE2-CE1 2.95Å; E23-H103 VanDerWaalsContact OE2-CE1 3.3Å; E23-H103 IonicContact OE2-CG 2.65Å; E23-H103 IonicContact OE2-ND1 3.45Å; E23-H103 PolarHBondContact OE2-ND1 3.07Å; Q50-H103 PolarHBondContact N-O 2.85Å; Q50-H103 PolarHBondContact O-N 2.96Å; Q50-H103 PolarHBondContact OE1-CE1 2.83Å; Q50-H103 VanDerWaalsContact OE1-CE1 3.32Å; Q50-H103 PolarHBondContact OE1-NE2 2.82Å; H103-V105 WeakPolarHBondContact NE2-CG1 3.23Å
104	T	95.2	Very high	91.5	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.8	169.8	-62.1	0	0	0	0	110.1	M19 P20 D48 D109 A111	M19-T104 PolarHBondContact O-OG1 3.01Å; P20-T104 PolarHBondContact O-N 2.69Å; P20-T104 PolarHBondContact O-OG1 3.14Å; D48-T104 WeakPolarHBondContact O-CA 3.41Å; T104-D109 WeakPolarHBondContact CG2-O 3.43Å; T104-A111 HydrophobicContact CG2-CB 3.65Å; T104-A111 VanDerWaalsContact OG1-CB 3.27Å; T104-A111 WeakPolarHBondContact OG1-CB 3Å; T104-A111 PolarHBondContact OG1-N 2.92Å
105	V	91.4	Very high	91.9	Very high	22 Å²	22	34.9 Å²	34.9	13%	0.133	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.7	172.4	-63.4	0	0	0	0	110.3	D48 Q50 H103 S107	D48-V105 HydrophobicContact CB-CG2 3.56Å; D48-V105 WeakPolarHBondContact CB-O 3.19Å; D48-V105 PolarHBondContact O-N 2.91Å; Q50-V105 HydrophobicContact CB-CG1 3.61Å; Q50-V105 HydrophobicContact CB-CG2 4.36Å; H103-V105 WeakPolarHBondContact NE2-CG1 3.23Å; V105-S107 PolarHBondContact O-N 2.82Å
106	N	83.3	Confident	92.1	Very high	142 Å²	142	35.8 Å²	35.8	76%	0.759	20%	0.201	S	C	*	.	S	Bend	trans	52.1	17.2	173.4	-55.7	-41.1	0	0	0	117.2
107	S	78.6	Confident	92.1	Very high	32 Å²	32	34 Å²	34	22%	0.224	19%	0.188	C	C	.	.			trans	-123.3	141.3	178.9	178.3	0	0	0	0	110.4	V105 D109	V105-S107 PolarHBondContact O-N 2.82Å; S107-D109 VanDerWaalsContact C-N 3.31Å; S107-D109 VanDerWaalsContact CB-O 3.3Å; S107-D109 WeakPolarHBondContact CB-O 3.28Å; S107-D109 PolarHBondContact OG-N 3.29Å; S107-D109 PolarHBondContact OG-O 3.07Å
108	S	79.6	Confident	91.8	Very high	100 Å²	100	32.6 Å²	32.6	70%	0.699	18%	0.183	S	C	*	.	S	Bend	trans	-71.2	-33.6	172.1	-65.8	0	0	0	0	111	R21	R21-S108 PolarHBondContact NH1-O 3.31Å
109	D	87.1	Confident	90.5	Very high	103 Å²	103	37.3 Å²	37.3	55%	0.551	21%	0.209	S	C	*	.	S	Bend	trans	-99.7	158.1	-180	-66.4	-45	0	0	0	111.4	H46 T104 S107 A111	H46-D109 WeakPolarHBondContact NE2-CB 3.43Å; T104-D109 WeakPolarHBondContact CG2-O 3.43Å; S107-D109 VanDerWaalsContact C-N 3.31Å; S107-D109 VanDerWaalsContact CB-O 3.3Å; S107-D109 WeakPolarHBondContact CB-O 3.28Å; S107-D109 PolarHBondContact OG-N 3.29Å; S107-D109 PolarHBondContact OG-O 3.07Å; D109-A111 PolarHBondContact O-N 2.92Å
110	M	92.9	Very high	90.3	Very high	104 Å²	104	38.8 Å²	38.8	51%	0.512	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-64.5	125.2	176	-71.6	-175.6	-61.7	0	0	110.4	A18 M19 H46	A18-M110 HydrophobicContact CB-CE 4.35Å; M19-M110 VanDerWaalsContact O-CB 3.31Å; M19-M110 WeakPolarHBondContact O-CB 3.42Å; M19-M110 WeakPolarHBondContact O-CG 3.31Å; H46-M110 PolarHBondContact CD2-O 2.85Å
111	A	93.9	Very high	90	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-67.7	157.3	174.7	0	0	0	0	0	111.3	M19 H46 L49 T104 D109	M19-A111 PolarHBondContact N-O 3.28Å; H46-A111 CarbonylContact O-C 3.53Å; H46-A111 WeakPolarHBondContact O-CA 3.3Å; H46-A111 WeakPolarHBondContact O-CB 3.45Å; L49-A111 HydrophobicContact CD2-CB 3.32Å; L49-A111 HydrophobicContact CG-CB 4.06Å; T104-A111 HydrophobicContact CG2-CB 3.65Å; T104-A111 VanDerWaalsContact OG1-CB 3.27Å; T104-A111 WeakPolarHBondContact OG1-CB 3Å; T104-A111 PolarHBondContact OG1-N 2.92Å; D109-A111 PolarHBondContact O-N 2.92Å
112	T	94.5	Very high	89.7	Confident	34 Å²	34	42 Å²	42	21%	0.209	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.6	-177.2	58.1	0	0	0	0	110.4	V16 I17 A44 D45 H46	V16-T112 HydrophobicContact CG1-CG2 4.48Å; I17-T112 WeakPolarHBondContact O-CA 3.34Å; A44-T112 WeakPolarHBondContact CA-O 3.43Å; D45-T112 PolarHBondContact N-O 2.74Å; H46-T112 HydrophobicContact CB-CG2 4.41Å; H46-T112 PolarHBondContact N-OG1 2.01Å; H46-T112 PolarHBondContact O-N 3Å
113	L	95.4	Very high	89.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	108.8	172.2	179.5	63.9	0	0	0	108.2	V16 I17 M19 L42 L49 L51 I74 F100 I115	V16-L113 CarbonylContact C-O 3.41Å; V16-L113 WeakPolarHBondContact CA-O 3.29Å; I17-L113 PolarHBondContact N-O 3.17Å; I17-L113 PolarHBondContact O-N 3.43Å; M19-L113 HydrophobicContact CG-CB 3.87Å; M19-L113 HydrophobicContact SD-CB 4.12Å; M19-L113 HydrophobicContact SD-CD2 4.12Å; L42-L113 HydrophobicContact CB-CD1 3.89Å; L42-L113 HydrophobicContact CD2-CD1 4.19Å; L42-L113 HydrophobicContact CG-CD1 4.41Å; L49-L113 HydrophobicContact CD1-CB 3.8Å; L49-L113 HydrophobicContact CD1-CD1 3.68Å; L49-L113 HydrophobicContact CD1-CG 4.3Å; L51-L113 HydrophobicContact CD2-CD2 4.38Å; I74-L113 HydrophobicContact CD1-CD1 4.31Å; F100-L113 HydrophobicContact CB-CD2 4.15Å; F100-L113 HydrophobicContact CD1-CD2 3.55Å; F100-L113 HydrophobicContact CD2-CD2 3.92Å; F100-L113 HydrophobicContact CE1-CD2 3.86Å; F100-L113 HydrophobicContact CE2-CD2 4.18Å; F100-L113 HydrophobicContact CG-CD2 3.58Å; F100-L113 HydrophobicContact CZ-CD2 4.15Å; L113-I115 HydrophobicContact CD2-CD1 4.37Å; L113-I115 HydrophobicContact CG-CD1 4.02Å; L113-I115 WeakPolarHBondContact O-CD1 2.94Å
114	K	96.1	Very high	89	Confident	39 Å²	39	45.2 Å²	45.2	17%	0.17	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.2	171.9	175.9	176.5	62.8	-163.2	0	109.5	I13 V16 L42 S43 D45 I116	I13-K114 HydrophobicContact CD1-CD 4.08Å; I13-K114 HydrophobicContact CG1-CD 4.28Å; I13-K114 HydrophobicContact CG2-CG 4.21Å; V16-K114 HydrophobicContact CG2-CB 4.11Å; V16-K114 HydrophobicContact CG2-CG 4.11Å; L42-K114 WeakPolarHBondContact CA-O 3.23Å; S43-K114 PolarHBondContact N-O 2.85Å; S43-K114 PolarHBondContact O-N 2.85Å; D45-K114 WeakPolarHBondContact OD1-CE 3.27Å; D45-K114 IonicContact OD1-NZ 2.74Å; D45-K114 PolarHBondContact OD1-NZ 2.85Å; D45-K114 VanDerWaalsContact OD2-CD 3.29Å; D45-K114 WeakPolarHBondContact OD2-CD 3.23Å; D45-K114 WeakPolarHBondContact OD2-CE 3.23Å; D45-K114 IonicContact OD2-NZ 2.69Å; D45-K114 PolarHBondContact OD2-NZ 3.36Å; K114-I116 HydrophobicContact CD-CG1 4.46Å; K114-I116 HydrophobicContact CG-CG1 4.19Å
115	I	95.2	Very high	88.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.3	179.1	-57	75.3	0	0	0	107.9	L14 G15 I17 L29 I40 L42 I98 F100 L113	L14-I115 HydrophobicContact CB-CB 4.36Å; L14-I115 HydrophobicContact CB-CG2 4.15Å; L14-I115 HydrophobicContact CD1-CG2 3.98Å; L14-I115 HydrophobicContact CG-CG2 4.46Å; L14-I115 PolarHBondContact N-O 2.85Å; G15-I115 PolarHBondContact O-N 3.3Å; I17-I115 HydrophobicContact CD1-CD1 4.21Å; I17-I115 HydrophobicContact CG1-CD1 4.34Å; L29-I115 HydrophobicContact CD2-CB 4Å; L29-I115 HydrophobicContact CD2-CD1 4.06Å; L29-I115 HydrophobicContact CD2-CG1 4.04Å; L29-I115 HydrophobicContact CD2-CG2 4.4Å; I40-I115 HydrophobicContact CB-CG2 4.29Å; I40-I115 HydrophobicContact CD1-CG2 4.29Å; I40-I115 HydrophobicContact CG2-CG2 4.17Å; L42-I115 HydrophobicContact CD2-CG1 3.98Å; L42-I115 HydrophobicContact CD2-CG2 4.33Å; I98-I115 HydrophobicContact CD1-CG2 4.26Å; F100-I115 HydrophobicContact CE2-CD1 4.04Å; F100-I115 HydrophobicContact CE2-CG1 3.71Å; F100-I115 HydrophobicContact CZ-CD1 4.38Å; F100-I115 HydrophobicContact CZ-CG1 3.66Å; L113-I115 HydrophobicContact CD2-CD1 4.37Å; L113-I115 HydrophobicContact CG-CD1 4.02Å; L113-I115 WeakPolarHBondContact O-CD1 2.94Å
116	I	94.6	Very high	88.4	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.4	178.5	-53.1	171.6	0	0	0	107.4	H11 I40 Q41 W82 K114	H11-I116 HydrophobicContact CB-CG2 3.75Å; I40-I116 CarbonylContact C-O 3.37Å; I40-I116 WeakPolarHBondContact CA-O 3.11Å; I40-I116 WeakPolarHBondContact CB-O 3.45Å; Q41-I116 HydrophobicContact CB-CB 4.3Å; Q41-I116 PolarHBondContact N-O 3.4Å; Q41-I116 PolarHBondContact O-N 2.81Å; W82-I116 HydrophobicContact CH2-CG2 4.4Å; K114-I116 HydrophobicContact CD-CG1 4.46Å; K114-I116 HydrophobicContact CG-CG1 4.19Å
117	G	92.2	Very high	88.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	155.3	173.5	0	0	0	0	0	111	H11 K12 D119	H11-G117 CarbonylContact C-O 3.52Å; H11-G117 WeakPolarHBondContact CA-O 3.09Å; H11-G117 WeakPolarHBondContact CB-O 3.4Å; K12-G117 PolarHBondContact N-O 2.85Å; K12-G117 PolarHBondContact O-N 2.79Å; G117-D119 VanDerWaalsContact C-N 3.29Å; G117-D119 PolarHBondContact O-N 2.96Å
118	D	87.1	Confident	89.6	Confident	21 Å²	21	43.3 Å²	43.3	11%	0.112	24%	0.24	C	C	.	.			trans	-83.3	1.9	179.9	69.2	-27.4	0	0	0	115.8	K38 R39 W82	K38-D118 WeakPolarHBondContact CB-OD2 3.15Å; K38-D118 PolarHBondContact N-OD1 2.96Å; R39-D118 HydrophobicContact CB-CB 4.31Å; R39-D118 IonicContact CZ-OD2 3.91Å; R39-D118 VanDerWaalsContact N-CG 3.33Å; R39-D118 PolarHBondContact N-OD1 3.34Å; R39-D118 PolarHBondContact N-OD2 3.15Å; R39-D118 IonicContact NE-OD2 2.73Å; R39-D118 PolarHBondContact NE-OD2 3.35Å; R39-D118 IonicContact NH2-OD2 3.3Å; R39-D118 PolarHBondContact NH2-OD2 3.01Å; R39-D118 PolarHBondContact O-N 2.88Å; R39-D118 VanDerWaalsContact O-N 3.09Å; W82-D118 HydrophobicContact CE3-CB 4.19Å; W82-D118 HydrophobicContact CH2-CB 3.79Å; W82-D118 HydrophobicContact CZ3-CB 3.61Å
119	D	67	Low	90.5	Very high	100 Å²	100	38.2 Å²	38.2	54%	0.535	20%	0.199	S	C	.	.			trans	13.3	0	-174.6	-149.3	7.7	0	0	0	114.8	K12 R35 G117	K12-D119 HydrophobicContact CB-CB 4.43Å; R35-D119 IonicContact NH1-OD2 3.34Å; R35-D119 PolarHBondContact NH1-OD2 2.91Å; G117-D119 VanDerWaalsContact C-N 3.29Å; G117-D119 PolarHBondContact O-N 2.96Å

Retrieved 119 of 119 residues in 32.4 ms (Link to these results)

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