A0A3B3VET6_9TELE Loading...

Cysteine and glycine-rich protein 2

AlphaFold DB , UniProt , Accession A0A3B3VET6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 193 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	48.7	Very low	68.2	Low	235 Å²	235	110.5 Å²	110.5	100%	1.158	63%	0.627	S	S	*	*				0	122.7	0	-61	111.8	95.4	0	0	108.2	N3	M1-N3 PolarHBondContact O-N 3.45Å
2	P	51.9	Low	69.3	Low	110 Å²	110	106.5 Å²	106.5	71%	0.714	62%	0.618	S	S	*	*			trans	-73.1	122.1	177.3	29.3	-30.4	0	0	0	109.2	W4	P2-W4 HydrophobicContact CG-CZ3 4.49Å; P2-W4 PolarHBondContact O-N 3.34Å
3	N	54.6	Low	70.6	Confident	162 Å²	162	103.4 Å²	103.4	87%	0.866	61%	0.605	S	S	*	*			trans	-82	91.3	-176.9	-153.9	-4.1	0	0	0	108.5	M1 G5	M1-N3 PolarHBondContact O-N 3.45Å; N3-G5 PolarHBondContact O-N 3.1Å
4	W	57.6	Low	71.5	Confident	245 Å²	245	111.4 Å²	111.4	93%	0.928	62%	0.62	S	S	*	*			trans	-74.6	78.5	175	-102.3	-59.9	0	0	0	110.2	P2	P2-W4 HydrophobicContact CG-CZ3 4.49Å; P2-W4 PolarHBondContact O-N 3.34Å
5	G	56	Low	72.4	Confident	53 Å²	53	106 Å²	106	55%	0.546	60%	0.599	S	S	.	*			trans	-106.8	57.4	175.7	0	0	0	0	0	112.2	N3 G7	N3-G5 PolarHBondContact O-N 3.1Å; G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 2.85Å
6	G	67.3	Low	73.3	Confident	83 Å²	83	103.7 Å²	103.7	86%	0.856	59%	0.588	S	S	*	*			trans	-77.7	74.8	174.4	0	0	0	0	0	111.4
7	G	72.3	Confident	74.1	Confident	26 Å²	26	97.7 Å²	97.7	27%	0.268	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-84	150	175.8	0	0	0	0	0	112.7	G5	G5-G7 VanDerWaalsContact C-N 3.29Å; G5-G7 PolarHBondContact O-N 2.85Å
8	N	82.9	Confident	74.7	Confident	80 Å²	80	100.7 Å²	100.7	43%	0.428	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-59.1	146.6	172	-68.2	-38.3	0	0	0	110.2	V17 E22 S29	N8-V17 PolarHBondContact O-N 2.99Å; N8-E22 PolarHBondContact ND2-OE2 3.47Å; N8-S29 VanDerWaalsContact CB-OG 3.25Å; N8-S29 WeakPolarHBondContact CB-OG 3.23Å; N8-S29 PolarHBondContact ND2-OG 2.89Å
9	K	87.2	Confident	74.9	Confident	157 Å²	157	103.8 Å²	103.8	68%	0.683	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.6	138.6	178.6	-64.6	-176.6	-177.9	-179.6	0	110.7	S11	K9-S11 PolarHBondContact O-N 3.29Å
10	C	87.1	Confident	75.2	Confident	2 Å²	2	102.8 Å²	102.8	1%	0.014	57%	0.572	C	S	.	*	B	Isolated β-bridge	trans	-68.5	125	175.3	-176.1	0	0	0	0	109.7	A12 C13 R14 G15 V17 S29 H31	C10-A12 PolarHBondContact O-N 3.5Å; C10-A12 PolarHBondContact SG-N 2.99Å; C10-A12 VanDerWaalsContact SG-N 3.41Å; C10-C13 WeakPolarHBondContact CB-SG 3.36Å; C10-R14 WeakPolarHBondContact O-CA 3.16Å; C10-R14 PolarHBondContact O-N 3Å; C10-G15 WeakPolarHBondContact CB-O 3.35Å; C10-G15 PolarHBondContact N-O 3.23Å; C10-V17 HydrophobicContact CB-CG2 3.53Å; C10-S29 VanDerWaalsContact CA-O 3.28Å; C10-S29 WeakPolarHBondContact CA-O 3.39Å; C10-H31 WeakPolarHBondContact CB-ND1 3.2Å; C10-H31 PolarHBondContact SG-ND1 2.77Å
11	S	84.1	Confident	75.4	Confident	63 Å²	63	103.1 Å²	103.1	44%	0.441	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-21.4	177.6	-64	0	0	0	0	113.3	K9 S29	K9-S11 PolarHBondContact O-N 3.29Å; S11-S29 PolarHBondContact N-O 3.14Å; S11-S29 VanDerWaalsContact N-O 3.11Å
12	A	82.3	Confident	77.2	Confident	62 Å²	62	93.2 Å²	93.2	51%	0.512	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-45.6	-179.5	0	0	0	0	0	113.7	C10 F30 C34	C10-A12 PolarHBondContact O-N 3.5Å; C10-A12 PolarHBondContact SG-N 2.99Å; C10-A12 VanDerWaalsContact SG-N 3.41Å; A12-F30 HydrophobicContact CB-CD1 4.17Å; A12-F30 HydrophobicContact CB-CE1 4.47Å; A12-C34 HydrophobicContact CB-CB 3.95Å
13	C	85.4	Confident	78.9	Confident	66 Å²	66	89.2 Å²	89.2	45%	0.446	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-3.9	-176.1	73.8	0	0	0	0	114	C10 G15 H31	C10-C13 WeakPolarHBondContact CB-SG 3.36Å; C13-G15 PolarHBondContact O-N 2.95Å; C13-H31 PolarHBondContact SG-CE1 3.21Å; C13-H31 PolarHBondContact SG-ND1 3.39Å
14	R	83.9	Confident	80.4	Confident	216 Å²	216	87.6 Å²	87.6	82%	0.815	48%	0.481	S	S	*	.			trans	62.1	-1.6	-177.3	-57.1	178	177.2	164.9	-1.7	115.8	C10	C10-R14 WeakPolarHBondContact O-CA 3.16Å; C10-R14 PolarHBondContact O-N 3Å
15	G	85.3	Confident	81.6	Confident	30 Å²	30	76.6 Å²	76.6	31%	0.309	44%	0.441	S	S	.	.			trans	-69.4	158.4	173	0	0	0	0	0	112.5	C10 C13	C10-G15 WeakPolarHBondContact CB-O 3.35Å; C10-G15 PolarHBondContact N-O 3.23Å; C13-G15 PolarHBondContact O-N 2.95Å
16	T	86.8	Confident	82.7	Confident	69 Å²	69	80.1 Å²	80.1	42%	0.423	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.1	174.4	43.8	0	0	0	0	110.7	H31	T16-H31 PolarHBondContact O-NE2 3.39Å
17	V	86.9	Confident	83.4	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.012	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124	176	-163.2	0	0	0	0	107.3	N8 C10 E22	N8-V17 PolarHBondContact O-N 2.99Å; C10-V17 HydrophobicContact CB-CG2 3.53Å; V17-E22 HydrophobicContact CB-CB 4.31Å; V17-E22 VanDerWaalsContact CG1-CA 3.44Å; V17-E22 HydrophobicContact CG1-CB 3.39Å
18	Y	84.4	Confident	84.1	Confident	152 Å²	152	81.5 Å²	81.5	60%	0.596	45%	0.447	S	S	*	.			trans	-86.5	150.5	173	-61.5	-80.8	0	0	0	109.6	A20 E21 E22	Y18-A20 PolarHBondContact O-N 3.39Å; Y18-E21 PolarHBondContact O-N 2.08Å; Y18-E22 PolarHBondContact O-N 2.79Å; Y18-E22 VanDerWaalsContact O-N 3.12Å
19	H	79.3	Confident	84.3	Confident	160 Å²	160	78.1 Å²	78.1	74%	0.741	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-32.5	-178.2	-117.2	-33.8	0	0	0	113.9	E21 E22	H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 3.33Å; H19-E22 IonicContact CE1-OE1 2.96Å; H19-E22 PolarHBondContact CE1-OE1 2.94Å; H19-E22 IonicContact CG-OE1 3.77Å; H19-E22 IonicContact ND1-OE1 2.62Å; H19-E22 PolarHBondContact ND1-OE1 3.02Å
20	A	80.5	Confident	84.3	Confident	83 Å²	83	71.1 Å²	71.1	69%	0.686	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.3	-179.4	0	0	0	0	0	114.6	Y18 K32	Y18-A20 PolarHBondContact O-N 3.39Å; A20-K32 PolarHBondContact O-NZ 3.4Å
21	E	79.6	Confident	84.4	Confident	109 Å²	109	72.2 Å²	72.2	51%	0.509	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	5.4	-175	-61.7	-166.2	127.3	0	0	113	Y18 H19 K32	Y18-E21 PolarHBondContact O-N 2.08Å; H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 3.33Å; E21-K32 PolarHBondContact O-N 3.41Å; E21-K32 VanDerWaalsContact O-N 3.15Å
22	E	85.8	Confident	84.4	Confident	28 Å²	28	75.6 Å²	75.6	13%	0.131	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.7	179.5	82.6	172.4	167.9	0	0	112.4	N8 V17 Y18 H19 Q24 S29 F30	N8-E22 PolarHBondContact ND2-OE2 3.47Å; V17-E22 HydrophobicContact CB-CB 4.31Å; V17-E22 VanDerWaalsContact CG1-CA 3.44Å; V17-E22 HydrophobicContact CG1-CB 3.39Å; Y18-E22 PolarHBondContact O-N 2.79Å; Y18-E22 VanDerWaalsContact O-N 3.12Å; H19-E22 IonicContact CE1-OE1 2.96Å; H19-E22 PolarHBondContact CE1-OE1 2.94Å; H19-E22 IonicContact CG-OE1 3.77Å; H19-E22 IonicContact ND1-OE1 2.62Å; H19-E22 PolarHBondContact ND1-OE1 3.02Å; E22-Q24 HydrophobicContact CG-CG 4.33Å; E22-S29 PolarHBondContact OE2-OG 2.73Å; E22-F30 CarbonylContact C-O 3.56Å; E22-F30 WeakPolarHBondContact CA-O 3.47Å
23	V	87	Confident	84.5	Confident	26 Å²	26	77.2 Å²	77.2	16%	0.158	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117	166.1	-178.7	0	0	0	0	105.8	F30 K32 F35	V23-F30 PolarHBondContact N-O 3.05Å; V23-F30 PolarHBondContact O-N 3.38Å; V23-K32 HydrophobicContact CG2-CB 4.4Å; V23-K32 HydrophobicContact CG2-CG 3.68Å; V23-F35 HydrophobicContact CB-CD2 4.44Å; V23-F35 HydrophobicContact CB-CG 4.34Å; V23-F35 HydrophobicContact CG1-CD1 3.94Å; V23-F35 HydrophobicContact CG1-CD2 3.94Å; V23-F35 HydrophobicContact CG1-CE1 4.05Å; V23-F35 HydrophobicContact CG1-CE2 4.05Å; V23-F35 HydrophobicContact CG1-CG 3.89Å; V23-F35 HydrophobicContact CG1-CZ 4.09Å
24	Q	86.3	Confident	84.5	Confident	127 Å²	127	75.4 Å²	75.4	59%	0.593	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.5	177.9	-66.5	-176.4	-37.7	0	0	109.9	E22 K28	E22-Q24 HydrophobicContact CG-CG 4.33Å; Q24-K28 WeakPolarHBondContact CA-O 3.46Å
25	C	82.8	Confident	84.7	Confident	14 Å²	14	65.2 Å²	65.2	10%	0.095	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	115.1	179.5	-165.2	0	0	0	0	108	G27 K28 F30 F35 I51	C25-G27 VanDerWaalsContact C-N 3.35Å; C25-G27 PolarHBondContact O-N 2.87Å; C25-K28 PolarHBondContact N-O 3.4Å; C25-K28 WeakPolarHBondContact O-CB 3.37Å; C25-K28 PolarHBondContact O-N 2.77Å; C25-F30 HydrophobicContact CB-CD2 4.18Å; C25-F30 HydrophobicContact CB-CE2 3.98Å; C25-F35 HydrophobicContact CB-CE2 3.69Å; C25-F35 HydrophobicContact CB-CZ 4.18Å; C25-I51 WeakPolarHBondContact SG-CD1 3.48Å
26	D	80.7	Confident	84.8	Confident	127 Å²	127	66.2 Å²	66.2	68%	0.679	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	47.1	178.3	-160.8	58.8	0	0	0	113.9	K28 I51	D26-K28 PolarHBondContact O-N 3.17Å; D26-I51 HydrophobicContact CB-CD1 3.25Å
27	G	82	Confident	84.8	Confident	87 Å²	87	62.9 Å²	62.9	90%	0.897	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	4.1	-179.9	0	0	0	0	0	114.9	C25	C25-G27 VanDerWaalsContact C-N 3.35Å; C25-G27 PolarHBondContact O-N 2.87Å
28	K	85.2	Confident	84.7	Confident	51 Å²	51	68.1 Å²	68.1	22%	0.222	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.6	177.1	-61.5	-179.9	-177	-165.1	0	111.2	Q24 C25 D26 F30 E54	Q24-K28 WeakPolarHBondContact CA-O 3.46Å; C25-K28 PolarHBondContact N-O 3.4Å; C25-K28 WeakPolarHBondContact O-CB 3.37Å; C25-K28 PolarHBondContact O-N 2.77Å; D26-K28 PolarHBondContact O-N 3.17Å; K28-F30 HydrophobicContact CB-CD2 4.49Å; K28-F30 HydrophobicContact CB-CE2 3.66Å; K28-F30 HydrophobicContact CB-CZ 4.08Å; K28-E54 VanDerWaalsContact NZ-CG 3.26Å; K28-E54 IonicContact NZ-OE1 2.66Å; K28-E54 PolarHBondContact NZ-OE1 3.22Å
29	S	88.1	Confident	84.7	Confident	9 Å²	9	62.8 Å²	62.8	6%	0.063	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.1	173.9	-62.4	0	0	0	0	111.1	N8 C10 S11 E22	N8-S29 VanDerWaalsContact CB-OG 3.25Å; N8-S29 WeakPolarHBondContact CB-OG 3.23Å; N8-S29 PolarHBondContact ND2-OG 2.89Å; C10-S29 VanDerWaalsContact CA-O 3.28Å; C10-S29 WeakPolarHBondContact CA-O 3.39Å; S11-S29 PolarHBondContact N-O 3.14Å; S11-S29 VanDerWaalsContact N-O 3.11Å; E22-S29 PolarHBondContact OE2-OG 2.73Å
30	F	88	Confident	85	Confident	10 Å²	10	58.2 Å²	58.2	4%	0.044	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.4	174.8	-60.7	-93.7	0	0	0	109.4	A12 E22 V23 C25 K28 F35 I56	A12-F30 HydrophobicContact CB-CD1 4.17Å; A12-F30 HydrophobicContact CB-CE1 4.47Å; E22-F30 CarbonylContact C-O 3.56Å; E22-F30 WeakPolarHBondContact CA-O 3.47Å; V23-F30 PolarHBondContact N-O 3.05Å; V23-F30 PolarHBondContact O-N 3.38Å; C25-F30 HydrophobicContact CB-CD2 4.18Å; C25-F30 HydrophobicContact CB-CE2 3.98Å; K28-F30 HydrophobicContact CB-CD2 4.49Å; K28-F30 HydrophobicContact CB-CE2 3.66Å; K28-F30 HydrophobicContact CB-CZ 4.08Å; F30-F35 HydrophobicContact CB-CB 4.37Å; F30-F35 HydrophobicContact CB-CD2 3.96Å; F30-F35 HydrophobicContact CD2-CD2 4.04Å; F30-F35 HydrophobicContact CD2-CE2 4.26Å; F30-F35 AromaticContact CG-CD2 3.97Å; F30-F35 HydrophobicContact CG-CD2 3.97Å; F30-I56 HydrophobicContact CD1-CD1 4.44Å; F30-I56 HydrophobicContact CE1-CD1 4.34Å; F30-I56 HydrophobicContact CE2-CG2 4.4Å; F30-I56 HydrophobicContact CZ-CG2 4.03Å
31	H	87.7	Confident	85.3	Confident	26 Å²	26	62.7 Å²	62.7	12%	0.12	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	150.6	164.2	-58.4	100.1	0	0	0	109.7	C10 C13 T16 C33 C34 F35	C10-H31 WeakPolarHBondContact CB-ND1 3.2Å; C10-H31 PolarHBondContact SG-ND1 2.77Å; C13-H31 PolarHBondContact SG-CE1 3.21Å; C13-H31 PolarHBondContact SG-ND1 3.39Å; T16-H31 PolarHBondContact O-NE2 3.39Å; H31-C33 PolarHBondContact O-N 3.01Å; H31-C33 VanDerWaalsContact O-N 3.16Å; H31-C34 HydrophobicContact CB-CB 3.98Å; H31-C34 CarbonylContact O-C 3.57Å; H31-C34 WeakPolarHBondContact O-CA 3.3Å; H31-C34 PolarHBondContact O-N 2.9Å; H31-F35 PolarHBondContact O-N 3.12Å
32	K	84.4	Confident	85.5	Confident	134 Å²	134	64.6 Å²	64.6	58%	0.583	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-39.7	170.4	-72.6	171.3	-177.8	166.9	0	112.9	A20 E21 V23	A20-K32 PolarHBondContact O-NZ 3.4Å; E21-K32 PolarHBondContact O-N 3.41Å; E21-K32 VanDerWaalsContact O-N 3.15Å; V23-K32 HydrophobicContact CG2-CB 4.4Å; V23-K32 HydrophobicContact CG2-CG 3.68Å
33	C	84.9	Confident	85.5	Confident	95 Å²	95	65.5 Å²	65.5	64%	0.642	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.9	177.6	58.8	0	0	0	0	114.1	H31 L36	H31-C33 PolarHBondContact O-N 3.01Å; H31-C33 VanDerWaalsContact O-N 3.16Å; C33-L36 WeakPolarHBondContact O-CG 3.45Å
34	C	84.7	Confident	85.4	Confident	28 Å²	28	65.3 Å²	65.3	19%	0.189	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.8	178.9	-63.8	0	0	0	0	112.9	A12 H31 L36	A12-C34 HydrophobicContact CB-CB 3.95Å; H31-C34 HydrophobicContact CB-CB 3.98Å; H31-C34 CarbonylContact O-C 3.57Å; H31-C34 WeakPolarHBondContact O-CA 3.3Å; H31-C34 PolarHBondContact O-N 2.9Å; C34-L36 PolarHBondContact O-N 3.41Å
35	F	88.2	Confident	85.1	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.013	35%	0.349	C	S	.	.			trans	-80.8	66.2	178.4	-161.9	-112.9	0	0	0	111.1	V23 C25 F30 H31 L44 V49 I56	V23-F35 HydrophobicContact CB-CD2 4.44Å; V23-F35 HydrophobicContact CB-CG 4.34Å; V23-F35 HydrophobicContact CG1-CD1 3.94Å; V23-F35 HydrophobicContact CG1-CD2 3.94Å; V23-F35 HydrophobicContact CG1-CE1 4.05Å; V23-F35 HydrophobicContact CG1-CE2 4.05Å; V23-F35 HydrophobicContact CG1-CG 3.89Å; V23-F35 HydrophobicContact CG1-CZ 4.09Å; C25-F35 HydrophobicContact CB-CE2 3.69Å; C25-F35 HydrophobicContact CB-CZ 4.18Å; F30-F35 HydrophobicContact CB-CB 4.37Å; F30-F35 HydrophobicContact CB-CD2 3.96Å; F30-F35 HydrophobicContact CD2-CD2 4.04Å; F30-F35 HydrophobicContact CD2-CE2 4.26Å; F30-F35 AromaticContact CG-CD2 3.97Å; F30-F35 HydrophobicContact CG-CD2 3.97Å; H31-F35 PolarHBondContact O-N 3.12Å; F35-L44 HydrophobicContact CD1-CB 3.65Å; F35-L44 VanDerWaalsContact CD1-O 3.23Å; F35-L44 WeakPolarHBondContact CD1-O 3.14Å; F35-L44 HydrophobicContact CE1-CB 3.5Å; F35-L44 HydrophobicContact CZ-CB 4.34Å; F35-L44 PolarHBondContact O-N 3.48Å; F35-V49 HydrophobicContact CE1-CB 4.27Å; F35-V49 HydrophobicContact CE2-CG2 4.32Å; F35-V49 HydrophobicContact CZ-CB 3.79Å; F35-V49 HydrophobicContact CZ-CG1 3.95Å; F35-V49 HydrophobicContact CZ-CG2 3.77Å; F35-I56 HydrophobicContact CD2-CD1 3.71Å; F35-I56 HydrophobicContact CE2-CD1 4.04Å; F35-I56 HydrophobicContact CE2-CG2 4.38Å; F35-I56 HydrophobicContact CG-CD1 4.33Å
36	L	87.8	Confident	84.5	Confident	50 Å²	50	66.5 Å²	66.5	26%	0.262	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-115.6	146.1	-175.7	-52.4	178.8	0	0	0	110.4	C33 C34 M38 K42 I56	C33-L36 WeakPolarHBondContact O-CG 3.45Å; C34-L36 PolarHBondContact O-N 3.41Å; L36-M38 PolarHBondContact O-N 2.98Å; L36-K42 WeakPolarHBondContact CA-O 3.4Å; L36-I56 VanDerWaalsContact O-CD1 3.23Å; L36-I56 WeakPolarHBondContact O-CD1 3.15Å; L36-I56 WeakPolarHBondContact O-CG1 3.47Å
37	C	87.6	Confident	84	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.374	C	S	.	.			trans	-64.2	132.6	171.5	176.5	0	0	0	0	111.4	V39 C40 R41 K42 L44 C58 C61	C37-V39 PolarHBondContact O-N 2.83Å; C37-V39 PolarHBondContact SG-N 3.42Å; C37-V39 VanDerWaalsContact SG-N 3.35Å; C37-C40 VanDerWaalsContact CB-SG 3.55Å; C37-C40 VanDerWaalsContact SG-SG 3.7Å; C37-R41 WeakPolarHBondContact O-CA 3.41Å; C37-R41 PolarHBondContact O-N 3.38Å; C37-K42 PolarHBondContact N-O 2.86Å; C37-L44 HydrophobicContact CB-CD1 4.02Å; C37-L44 HydrophobicContact CB-CD2 4.18Å; C37-L44 HydrophobicContact CB-CG 4.19Å; C37-C58 HydrophobicContact CB-CB 4.04Å; C37-C58 PolarHBondContact SG-N 3.03Å; C37-C61 PolarHBondContact SG-SG 3.4Å
38	M	84.3	Confident	83.6	Confident	112 Å²	112	63.9 Å²	63.9	55%	0.552	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.6	177.5	-93	-57.1	-159.6	0	0	114.6	L36 I56 Y57	L36-M38 PolarHBondContact O-N 2.98Å; M38-I56 PolarHBondContact N-O 3.02Å; M38-Y57 HydrophobicContact CB-CE1 4.22Å
39	V	84.8	Confident	83.6	Confident	40 Å²	40	62.7 Å²	62.7	24%	0.242	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-54.1	-177.9	179.9	0	0	0	0	111.9	C37 Y57 C61 K65 L88	C37-V39 PolarHBondContact O-N 2.83Å; C37-V39 PolarHBondContact SG-N 3.42Å; C37-V39 VanDerWaalsContact SG-N 3.35Å; V39-Y57 HydrophobicContact CG2-CD1 3.63Å; V39-Y57 HydrophobicContact CG2-CE1 3.54Å; V39-C61 HydrophobicContact CB-CB 4.09Å; V39-C61 HydrophobicContact CG1-CB 4.47Å; V39-C61 HydrophobicContact CG2-CB 4.31Å; V39-K65 HydrophobicContact CG2-CD 4.41Å; V39-L88 HydrophobicContact CG1-CD1 3.73Å
40	C	85.6	Confident	83.5	Confident	63 Å²	63	63.4 Å²	63.4	43%	0.426	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-2.2	-173.1	66.8	0	0	0	0	113.8	C37 K42 C61	C37-C40 VanDerWaalsContact CB-SG 3.55Å; C37-C40 VanDerWaalsContact SG-SG 3.7Å; C40-K42 PolarHBondContact O-N 3.06Å; C40-K42 VanDerWaalsContact SG-CB 3.55Å; C40-C61 PolarHBondContact SG-SG 3.16Å
41	R	85.4	Confident	83.3	Confident	177 Å²	177	65.6 Å²	65.6	67%	0.668	36%	0.36	S	S	*	.			trans	55.7	11	-178.4	-60.1	-72	-71.6	-108.6	-5.4	114.9	C37	C37-R41 WeakPolarHBondContact O-CA 3.41Å; C37-R41 PolarHBondContact O-N 3.38Å
42	K	84.4	Confident	83.1	Confident	150 Å²	150	66.6 Å²	66.6	65%	0.652	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-67.7	136.9	174.8	-171.3	-178.8	176.5	-178.6	0	109.5	L36 C37 C40 L44	L36-K42 WeakPolarHBondContact CA-O 3.4Å; C37-K42 PolarHBondContact N-O 2.86Å; C40-K42 PolarHBondContact O-N 3.06Å; C40-K42 VanDerWaalsContact SG-CB 3.55Å; K42-L44 PolarHBondContact O-N 2.79Å
43	G	86.3	Confident	82.7	Confident	46 Å²	46	66.1 Å²	66.1	47%	0.474	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-57.7	126.4	169.3	0	0	0	0	0	110.7
44	L	84.8	Confident	82.2	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.12	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-94.1	157.2	177.3	-63	177.1	0	0	0	109.4	F35 C37 K42 V49 I56 C58	F35-L44 HydrophobicContact CD1-CB 3.65Å; F35-L44 VanDerWaalsContact CD1-O 3.23Å; F35-L44 WeakPolarHBondContact CD1-O 3.14Å; F35-L44 HydrophobicContact CE1-CB 3.5Å; F35-L44 HydrophobicContact CZ-CB 4.34Å; F35-L44 PolarHBondContact O-N 3.48Å; C37-L44 HydrophobicContact CB-CD1 4.02Å; C37-L44 HydrophobicContact CB-CD2 4.18Å; C37-L44 HydrophobicContact CB-CG 4.19Å; K42-L44 PolarHBondContact O-N 2.79Å; L44-V49 HydrophobicContact CD1-CB 4.32Å; L44-V49 HydrophobicContact CD1-CG2 3.93Å; L44-I56 HydrophobicContact CD1-CB 4.46Å; L44-C58 HydrophobicContact CD2-CB 3.59Å
45	D	78.9	Confident	82	Confident	73 Å²	73	71.2 Å²	71.2	39%	0.39	38%	0.381	S	S	.	.			trans	-109.9	160.3	167.7	61.1	-94.8	0	0	0	109	T47 T48 V49	D45-T47 PolarHBondContact O-N 2.95Å; D45-T47 WeakPolarHBondContact OD2-CA 3.31Å; D45-T47 VanDerWaalsContact OD2-CB 3.31Å; D45-T47 WeakPolarHBondContact OD2-CB 3.36Å; D45-T47 PolarHBondContact OD2-N 2.88Å; D45-T48 PolarHBondContact O-N 2.9Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.24Å; D45-T48 PolarHBondContact OD1-OG1 3.32Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.46Å; D45-T48 PolarHBondContact OD2-N 3Å; D45-T48 PolarHBondContact OD2-OG1 2.88Å; D45-V49 PolarHBondContact O-N 2.81Å
46	S	70.6	Confident	81.9	Confident	93 Å²	93	71.6 Å²	71.6	65%	0.65	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.1	-178.2	51.3	0	0	0	0	113.8
47	T	71	Confident	81.9	Confident	104 Å²	104	69.5 Å²	69.5	64%	0.638	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-19.8	-172.9	-46.4	0	0	0	0	112.9	D45 K59	D45-T47 PolarHBondContact O-N 2.95Å; D45-T47 WeakPolarHBondContact OD2-CA 3.31Å; D45-T47 VanDerWaalsContact OD2-CB 3.31Å; D45-T47 WeakPolarHBondContact OD2-CB 3.36Å; D45-T47 PolarHBondContact OD2-N 2.88Å; T47-K59 PolarHBondContact O-NZ 2.92Å
48	T	72.4	Confident	82	Confident	55 Å²	55	70.3 Å²	70.3	34%	0.337	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	7.9	-175.8	69.4	0	0	0	0	115.3	D45 K59	D45-T48 PolarHBondContact O-N 2.9Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.24Å; D45-T48 PolarHBondContact OD1-OG1 3.32Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.46Å; D45-T48 PolarHBondContact OD2-N 3Å; D45-T48 PolarHBondContact OD2-OG1 2.88Å; T48-K59 WeakPolarHBondContact O-CG 3.41Å; T48-K59 PolarHBondContact O-N 3.17Å
49	V	85.3	Confident	82	Confident	25 Å²	25	69 Å²	69	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	147.4	175.4	64.7	0	0	0	0	112.3	F35 L44 D45 I51 I56	F35-V49 HydrophobicContact CE1-CB 4.27Å; F35-V49 HydrophobicContact CE2-CG2 4.32Å; F35-V49 HydrophobicContact CZ-CB 3.79Å; F35-V49 HydrophobicContact CZ-CG1 3.95Å; F35-V49 HydrophobicContact CZ-CG2 3.77Å; L44-V49 HydrophobicContact CD1-CB 4.32Å; L44-V49 HydrophobicContact CD1-CG2 3.93Å; D45-V49 PolarHBondContact O-N 2.81Å; V49-I51 HydrophobicContact CG2-CG1 4.33Å; V49-I56 HydrophobicContact CG2-CB 4.1Å; V49-I56 HydrophobicContact CG2-CG2 4.17Å
50	S	87.3	Confident	82	Confident	24 Å²	24	70.1 Å²	70.1	17%	0.168	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.1	169	-57.4	0	0	0	0	107.9	Y57 K59	S50-Y57 PolarHBondContact N-O 3.15Å; S50-Y57 WeakPolarHBondContact O-CA 3.23Å; S50-Y57 WeakPolarHBondContact O-CB 3.29Å; S50-Y57 PolarHBondContact O-N 3.39Å; S50-Y57 VanDerWaalsContact O-O 3.12Å; S50-K59 WeakPolarHBondContact OG-CG 3.31Å
51	I	83.5	Confident	81.9	Confident	56 Å²	56	67.6 Å²	67.6	29%	0.287	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133	-171.8	-51.1	170.7	0	0	0	107.7	C25 D26 V49 E55 I56	C25-I51 WeakPolarHBondContact SG-CD1 3.48Å; D26-I51 HydrophobicContact CB-CD1 3.25Å; V49-I51 HydrophobicContact CG2-CG1 4.33Å; I51-E55 WeakPolarHBondContact CA-O 3.32Å; I51-I56 HydrophobicContact CG1-CG2 4.42Å
52	H	83.3	Confident	82	Confident	47 Å²	47	62.7 Å²	62.7	22%	0.218	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.4	173.9	-160.3	-82.1	0	0	0	107.8	E54 E55 Y57 Y62 Y66	H52-E54 VanDerWaalsContact C-N 3.3Å; H52-E54 PolarHBondContact O-N 3.31Å; H52-E55 PolarHBondContact N-O 3.46Å; H52-E55 PolarHBondContact O-N 2.88Å; H52-Y57 HydrophobicContact CB-CD2 4.02Å; H52-Y57 HydrophobicContact CB-CE2 3.84Å; H52-Y62 HydrophobicContact CB-CD2 4.14Å; H52-Y62 HydrophobicContact CB-CE2 3.73Å; H52-Y62 AromaticContact CD2-CE2 3.68Å; H52-Y66 HydrophobicContact CB-CD2 4.07Å; H52-Y66 HydrophobicContact CB-CE2 3.72Å; H52-Y66 AromaticContact CD2-CD1 3.55Å; H52-Y66 AromaticContact CD2-CD2 3.86Å; H52-Y66 AromaticContact CD2-CE1 3.84Å; H52-Y66 AromaticContact CD2-CG 3.56Å; H52-Y66 AromaticContact CE1-CD1 3.52Å; H52-Y66 AromaticContact CE1-CE1 3.31Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.44Å; H52-Y66 AromaticContact CE1-CZ 3.95Å; H52-Y66 AromaticContact CG-CD1 3.86Å; H52-Y66 AromaticContact CG-CD2 3.88Å; H52-Y66 AromaticContact CG-CE1 3.66Å; H52-Y66 AromaticContact CG-CE2 3.7Å; H52-Y66 AromaticContact CG-CG 3.96Å; H52-Y66 AromaticContact CG-CZ 3.57Å; H52-Y66 AromaticContact ND1-CD1 3.82Å; H52-Y66 AromaticContact ND1-CE1 3.3Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.3Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.44Å; H52-Y66 AromaticContact ND1-CZ 3.44Å; H52-Y66 AromaticContact NE2-CD1 3.31Å; H52-Y66 VanDerWaalsContact NE2-CD1 3.31Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.24Å; H52-Y66 AromaticContact NE2-CE1 3.63Å; H52-Y66 AromaticContact NE2-CG 3.79Å
53	D	75.6	Confident	81.9	Confident	125 Å²	125	55.9 Å²	55.9	67%	0.668	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	52.9	177.6	-55.6	-35.9	0	0	0	113.7	E55	D53-E55 PolarHBondContact O-N 2.96Å; D53-E55 VanDerWaalsContact O-N 3.14Å
54	E	73.9	Confident	81.5	Confident	149 Å²	149	57.1 Å²	57.1	70%	0.696	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	3.6	177.8	-59.2	-173.4	89.1	0	0	116.6	K28 H52	K28-E54 VanDerWaalsContact NZ-CG 3.26Å; K28-E54 IonicContact NZ-OE1 2.66Å; K28-E54 PolarHBondContact NZ-OE1 3.22Å; H52-E54 VanDerWaalsContact C-N 3.3Å; H52-E54 PolarHBondContact O-N 3.31Å
55	E	81.5	Confident	81.2	Confident	81 Å²	81	58 Å²	58	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.9	177.4	-61.8	-176.6	130.3	0	0	112.4	I51 H52 D53 Y57	I51-E55 WeakPolarHBondContact CA-O 3.32Å; H52-E55 PolarHBondContact N-O 3.46Å; H52-E55 PolarHBondContact O-N 2.88Å; D53-E55 PolarHBondContact O-N 2.96Å; D53-E55 VanDerWaalsContact O-N 3.14Å; E55-Y57 HydrophobicContact CB-CD2 4.39Å; E55-Y57 HydrophobicContact CB-CE2 3.58Å; E55-Y57 WeakPolarHBondContact O-CD2 3.23Å; E55-Y57 PolarHBondContact OE2-OH 3.39Å
56	I	86.7	Confident	81.4	Confident	11 Å²	11	58 Å²	58	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.4	-178.3	57.9	167.9	0	0	0	112.5	F30 F35 L36 M38 L44 V49 I51	F30-I56 HydrophobicContact CD1-CD1 4.44Å; F30-I56 HydrophobicContact CE1-CD1 4.34Å; F30-I56 HydrophobicContact CE2-CG2 4.4Å; F30-I56 HydrophobicContact CZ-CG2 4.03Å; F35-I56 HydrophobicContact CD2-CD1 3.71Å; F35-I56 HydrophobicContact CE2-CD1 4.04Å; F35-I56 HydrophobicContact CE2-CG2 4.38Å; F35-I56 HydrophobicContact CG-CD1 4.33Å; L36-I56 VanDerWaalsContact O-CD1 3.23Å; L36-I56 WeakPolarHBondContact O-CD1 3.15Å; L36-I56 WeakPolarHBondContact O-CG1 3.47Å; M38-I56 PolarHBondContact N-O 3.02Å; L44-I56 HydrophobicContact CD1-CB 4.46Å; V49-I56 HydrophobicContact CG2-CB 4.1Å; V49-I56 HydrophobicContact CG2-CG2 4.17Å; I51-I56 HydrophobicContact CG1-CG2 4.42Å
57	Y	87.9	Confident	81.6	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.7	-176.3	-64.8	-81.9	0	0	0	111.9	M38 V39 S50 H52 E55 Y66	M38-Y57 HydrophobicContact CB-CE1 4.22Å; V39-Y57 HydrophobicContact CG2-CD1 3.63Å; V39-Y57 HydrophobicContact CG2-CE1 3.54Å; S50-Y57 PolarHBondContact N-O 3.15Å; S50-Y57 WeakPolarHBondContact O-CA 3.23Å; S50-Y57 WeakPolarHBondContact O-CB 3.29Å; S50-Y57 PolarHBondContact O-N 3.39Å; S50-Y57 VanDerWaalsContact O-O 3.12Å; H52-Y57 HydrophobicContact CB-CD2 4.02Å; H52-Y57 HydrophobicContact CB-CE2 3.84Å; E55-Y57 HydrophobicContact CB-CD2 4.39Å; E55-Y57 HydrophobicContact CB-CE2 3.58Å; E55-Y57 WeakPolarHBondContact O-CD2 3.23Å; E55-Y57 PolarHBondContact OE2-OH 3.39Å; Y57-Y66 HydrophobicContact CD2-CE2 4.27Å; Y57-Y66 HydrophobicContact CE1-CE2 4.39Å; Y57-Y66 AromaticContact CE2-CE2 3.89Å; Y57-Y66 HydrophobicContact CE2-CE2 3.89Å; Y57-Y66 AromaticContact CZ-CE2 3.96Å; Y57-Y66 PolarHBondContact OH-OH 2.87Å
58	C	88.4	Confident	81.8	Confident	17 Å²	17	54.9 Å²	54.9	12%	0.115	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	144.1	167.2	92.9	0	0	0	0	109.6	C37 L44 S60 C61 Y62	C37-C58 HydrophobicContact CB-CB 4.04Å; C37-C58 PolarHBondContact SG-N 3.03Å; L44-C58 HydrophobicContact CD2-CB 3.59Å; C58-S60 PolarHBondContact O-N 3.02Å; C58-S60 VanDerWaalsContact O-N 3.1Å; C58-C61 HydrophobicContact CB-CB 4.11Å; C58-C61 WeakPolarHBondContact CB-SG 3.3Å; C58-C61 CarbonylContact O-C 3.53Å; C58-C61 WeakPolarHBondContact O-CA 3.49Å; C58-C61 WeakPolarHBondContact O-CB 3.27Å; C58-C61 PolarHBondContact O-N 3.3Å; C58-C61 WeakPolarHBondContact SG-CB 3.5Å; C58-C61 PolarHBondContact SG-N 3.2Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.73Å; C58-Y62 WeakPolarHBondContact O-CB 3.46Å; C58-Y62 PolarHBondContact O-N 2.86Å
59	K	84.8	Confident	81.5	Confident	86 Å²	86	57.2 Å²	57.2	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-47.6	-41.9	176.8	-84.7	171.6	177.8	168.6	0	113.8	T47 T48 S50 C61 G63 Q75	T47-K59 PolarHBondContact O-NZ 2.92Å; T48-K59 WeakPolarHBondContact O-CG 3.41Å; T48-K59 PolarHBondContact O-N 3.17Å; S50-K59 WeakPolarHBondContact OG-CG 3.31Å; K59-C61 PolarHBondContact O-N 3.21Å; K59-G63 PolarHBondContact O-N 3.26Å; K59-Q75 PolarHBondContact O-OE1 2.89Å
60	S	84.2	Confident	80.4	Confident	63 Å²	63	58.7 Å²	58.7	44%	0.441	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-37.4	176.7	-175.3	0	0	0	0	113.2	C58 K64	C58-S60 PolarHBondContact O-N 3.02Å; C58-S60 VanDerWaalsContact O-N 3.1Å; S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.48Å; S60-K64 PolarHBondContact O-N 2.98Å
61	C	84.3	Confident	78.7	Confident	9 Å²	9	67 Å²	67	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-76.9	-45.8	-177.7	-49.2	0	0	0	0	110.6	C37 V39 C40 C58 K59 G63 K64 K65	C37-C61 PolarHBondContact SG-SG 3.4Å; V39-C61 HydrophobicContact CB-CB 4.09Å; V39-C61 HydrophobicContact CG1-CB 4.47Å; V39-C61 HydrophobicContact CG2-CB 4.31Å; C40-C61 PolarHBondContact SG-SG 3.16Å; C58-C61 HydrophobicContact CB-CB 4.11Å; C58-C61 WeakPolarHBondContact CB-SG 3.3Å; C58-C61 CarbonylContact O-C 3.53Å; C58-C61 WeakPolarHBondContact O-CA 3.49Å; C58-C61 WeakPolarHBondContact O-CB 3.27Å; C58-C61 PolarHBondContact O-N 3.3Å; C58-C61 WeakPolarHBondContact SG-CB 3.5Å; C58-C61 PolarHBondContact SG-N 3.2Å; C58-C61 CovalentContact SG-SG 2.08Å; C58-C61 PolarHBondContact SG-SG 2.73Å; K59-C61 PolarHBondContact O-N 3.21Å; C61-G63 VanDerWaalsContact C-N 3.29Å; C61-G63 PolarHBondContact O-N 3.09Å; C61-K64 PolarHBondContact O-N 3.42Å; C61-K65 WeakPolarHBondContact O-CB 3.43Å; C61-K65 WeakPolarHBondContact O-CG 3.16Å; C61-K65 PolarHBondContact O-N 2.78Å
62	Y	86.3	Confident	77.4	Confident	74 Å²	74	65.6 Å²	65.6	29%	0.29	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-46.3	173.1	179.7	-86.1	0	0	0	110.4	H52 C58 K65 Y66	H52-Y62 HydrophobicContact CB-CD2 4.14Å; H52-Y62 HydrophobicContact CB-CE2 3.73Å; H52-Y62 AromaticContact CD2-CE2 3.68Å; C58-Y62 WeakPolarHBondContact O-CB 3.46Å; C58-Y62 PolarHBondContact O-N 2.86Å; Y62-K65 PolarHBondContact O-N 3.31Å; Y62-Y66 AromaticContact CD2-CD2 3.84Å; Y62-Y66 HydrophobicContact CD2-CD2 3.84Å; Y62-Y66 HydrophobicContact CE2-CD2 4.05Å; Y62-Y66 HydrophobicContact CE2-CG 4.47Å; Y62-Y66 HydrophobicContact CG-CD2 4.35Å; Y62-Y66 PolarHBondContact O-N 3.2Å
63	G	82.1	Confident	76	Confident	8 Å²	8	65 Å²	65	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-46.1	-74.3	167.2	0	0	0	0	0	109.1	K59 C61 K65 Y66 G67 Y73	K59-G63 PolarHBondContact O-N 3.26Å; C61-G63 VanDerWaalsContact C-N 3.29Å; C61-G63 PolarHBondContact O-N 3.09Å; G63-K65 PolarHBondContact O-N 3.28Å; G63-Y66 PolarHBondContact O-N 3Å; G63-G67 PolarHBondContact O-N 2.93Å; G63-Y73 WeakPolarHBondContact O-CE1 3.31Å; G63-Y73 PolarHBondContact O-OH 3.18Å
64	K	79.7	Confident	74.9	Confident	72 Å²	72	60.9 Å²	60.9	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-48.5	-34.4	-176.4	-66.8	168.1	-167.5	177.1	0	115.7	S60 C61	S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.48Å; S60-K64 PolarHBondContact O-N 2.98Å; C61-K64 PolarHBondContact O-N 3.42Å
65	K	78.1	Confident	74	Confident	40 Å²	40	59.8 Å²	59.8	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-81.8	-46.7	-177.4	-69.6	-112.5	-67.6	-170.1	0	113.9	V39 C61 Y62 G63 K69 I90	V39-K65 HydrophobicContact CG2-CD 4.41Å; C61-K65 WeakPolarHBondContact O-CB 3.43Å; C61-K65 WeakPolarHBondContact O-CG 3.16Å; C61-K65 PolarHBondContact O-N 2.78Å; Y62-K65 PolarHBondContact O-N 3.31Å; G63-K65 PolarHBondContact O-N 3.28Å; K65-K69 VanDerWaalsContact O-CE 3.31Å; K65-K69 WeakPolarHBondContact O-CE 3.1Å; K65-K69 PolarHBondContact O-NZ 3.33Å; K65-K69 VanDerWaalsContact O-NZ 3.08Å; K65-I90 HydrophobicContact CD-CB 4.33Å; K65-I90 HydrophobicContact CD-CD1 3.49Å; K65-I90 VanDerWaalsContact CD-CD1 3.49Å; K65-I90 HydrophobicContact CD-CG1 3.74Å; K65-I90 HydrophobicContact CD-CG2 3.62Å; K65-I90 HydrophobicContact CG-CD1 3.93Å
66	Y	81.8	Confident	72.5	Confident	74 Å²	74	58.7 Å²	58.7	29%	0.29	33%	0.332	S	S	.	.	H	α-helix	trans	-125.6	-20.8	-158.4	-61.8	-72	0	0	0	117.3	H52 Y57 Y62 G63 Y73	H52-Y66 HydrophobicContact CB-CD2 4.07Å; H52-Y66 HydrophobicContact CB-CE2 3.72Å; H52-Y66 AromaticContact CD2-CD1 3.55Å; H52-Y66 AromaticContact CD2-CD2 3.86Å; H52-Y66 AromaticContact CD2-CE1 3.84Å; H52-Y66 AromaticContact CD2-CG 3.56Å; H52-Y66 AromaticContact CE1-CD1 3.52Å; H52-Y66 AromaticContact CE1-CE1 3.31Å; H52-Y66 WeakPolarHBondContact CE1-CE1 3.44Å; H52-Y66 AromaticContact CE1-CZ 3.95Å; H52-Y66 AromaticContact CG-CD1 3.86Å; H52-Y66 AromaticContact CG-CD2 3.88Å; H52-Y66 AromaticContact CG-CE1 3.66Å; H52-Y66 AromaticContact CG-CE2 3.7Å; H52-Y66 AromaticContact CG-CG 3.96Å; H52-Y66 AromaticContact CG-CZ 3.57Å; H52-Y66 AromaticContact ND1-CD1 3.82Å; H52-Y66 AromaticContact ND1-CE1 3.3Å; H52-Y66 VanDerWaalsContact ND1-CE1 3.3Å; H52-Y66 WeakPolarHBondContact ND1-CE1 3.44Å; H52-Y66 AromaticContact ND1-CZ 3.44Å; H52-Y66 AromaticContact NE2-CD1 3.31Å; H52-Y66 VanDerWaalsContact NE2-CD1 3.31Å; H52-Y66 WeakPolarHBondContact NE2-CD1 3.24Å; H52-Y66 AromaticContact NE2-CE1 3.63Å; H52-Y66 AromaticContact NE2-CG 3.79Å; Y57-Y66 HydrophobicContact CD2-CE2 4.27Å; Y57-Y66 HydrophobicContact CE1-CE2 4.39Å; Y57-Y66 AromaticContact CE2-CE2 3.89Å; Y57-Y66 HydrophobicContact CE2-CE2 3.89Å; Y57-Y66 AromaticContact CZ-CE2 3.96Å; Y57-Y66 PolarHBondContact OH-OH 2.87Å; Y62-Y66 AromaticContact CD2-CD2 3.84Å; Y62-Y66 HydrophobicContact CD2-CD2 3.84Å; Y62-Y66 HydrophobicContact CE2-CD2 4.05Å; Y62-Y66 HydrophobicContact CE2-CG 4.47Å; Y62-Y66 HydrophobicContact CG-CD2 4.35Å; Y62-Y66 PolarHBondContact O-N 3.2Å; G63-Y66 PolarHBondContact O-N 3Å; Y66-Y73 VanDerWaalsContact C-OH 3.3Å; Y66-Y73 PolarHBondContact N-OH 3.26Å
67	G	76.5	Confident	70.6	Confident	28 Å²	28	63.7 Å²	63.7	29%	0.289	38%	0.375	S	S	.	.	S	Bend	trans	-63.7	-162.6	166.4	0	0	0	0	0	116.1	G63 K69 Y73	G63-G67 PolarHBondContact O-N 2.93Å; G67-K69 PolarHBondContact O-N 2.7Å; G67-K69 VanDerWaalsContact O-N 3.08Å; G67-Y73 WeakPolarHBondContact CA-OH 3.08Å; G67-Y73 PolarHBondContact N-OH 2.94Å; G67-Y73 PolarHBondContact O-OH 3.02Å
68	P	74.2	Confident	68.8	Low	103 Å²	103	66.6 Å²	66.6	67%	0.669	41%	0.407	S	S	*	.			trans	-74.1	103.9	-170.8	29.2	-35	0	0	0	113.4	G70 Y73	P68-G70 PolarHBondContact O-N 3.31Å; P68-Y73 VanDerWaalsContact N-CZ 3.33Å; P68-Y73 WeakPolarHBondContact O-CD2 3.41Å; P68-Y73 WeakPolarHBondContact O-CE2 3.38Å
69	K	66	Low	66.7	Low	105 Å²	105	70.5 Å²	70.5	46%	0.457	43%	0.43	S	S	.	.			trans	-69.3	96	173.2	-77	168.4	-178.3	151.4	0	110.4	K65 G67 Y73	K65-K69 VanDerWaalsContact O-CE 3.31Å; K65-K69 WeakPolarHBondContact O-CE 3.1Å; K65-K69 PolarHBondContact O-NZ 3.33Å; K65-K69 VanDerWaalsContact O-NZ 3.08Å; G67-K69 PolarHBondContact O-N 2.7Å; G67-K69 VanDerWaalsContact O-N 3.08Å; K69-Y73 HydrophobicContact CG-CE2 4.04Å
70	G	62.1	Low	64.9	Low	56 Å²	56	71.8 Å²	71.8	58%	0.577	44%	0.44	S	S	*	.	S	Bend	trans	-159.3	-171.4	177	0	0	0	0	0	111.3	P68 G72	P68-G70 PolarHBondContact O-N 3.31Å; G70-G72 PolarHBondContact O-N 3.11Å
71	Y	52.7	Low	63.6	Low	197 Å²	197	72.4 Å²	72.4	77%	0.773	44%	0.439	S	S	*	.	S	Bend	trans	-66.1	100.6	175.3	-172.8	-91.2	0	0	0	109.8	M82	Y71-M82 HydrophobicContact CD1-CE 3.77Å; Y71-M82 HydrophobicContact CD2-CE 3.46Å; Y71-M82 VanDerWaalsContact CD2-CE 3.46Å; Y71-M82 HydrophobicContact CD2-SD 3.93Å; Y71-M82 HydrophobicContact CE1-CE 3.57Å; Y71-M82 HydrophobicContact CE2-CE 3.24Å; Y71-M82 HydrophobicContact CE2-SD 4.11Å; Y71-M82 HydrophobicContact CG-CE 3.72Å; Y71-M82 HydrophobicContact CG-SD 4.36Å
72	G	54.8	Low	62.1	Low	27 Å²	27	76.6 Å²	76.6	28%	0.278	46%	0.458	S	S	.	.			trans	99.1	87.2	175.8	0	0	0	0	0	114.2	G70 G74	G70-G72 PolarHBondContact O-N 3.11Å; G72-G74 PolarHBondContact O-N 2.97Å
73	Y	53.6	Low	60.6	Low	36 Å²	36	76.6 Å²	76.6	14%	0.141	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-81.5	96.4	159.6	-117.4	-84.6	0	0	0	109.4	G63 Y66 G67 P68 K69 N81	G63-Y73 WeakPolarHBondContact O-CE1 3.31Å; G63-Y73 PolarHBondContact O-OH 3.18Å; Y66-Y73 VanDerWaalsContact C-OH 3.3Å; Y66-Y73 PolarHBondContact N-OH 3.26Å; G67-Y73 WeakPolarHBondContact CA-OH 3.08Å; G67-Y73 PolarHBondContact N-OH 2.94Å; G67-Y73 PolarHBondContact O-OH 3.02Å; P68-Y73 VanDerWaalsContact N-CZ 3.33Å; P68-Y73 WeakPolarHBondContact O-CD2 3.41Å; P68-Y73 WeakPolarHBondContact O-CE2 3.38Å; K69-Y73 HydrophobicContact CG-CE2 4.04Å; Y73-N81 PolarHBondContact N-O 3.2Å; Y73-N81 PolarHBondContact O-N 2.9Å
74	G	53.5	Low	59.4	Low	37 Å²	37	82.9 Å²	82.9	38%	0.381	49%	0.485	S	S	.	.			trans	-123.1	109	173.2	0	0	0	0	0	109.8	G72 G76 T79	G72-G74 PolarHBondContact O-N 2.97Å; G74-G76 VanDerWaalsContact C-N 3.34Å; G74-G76 PolarHBondContact O-N 3.16Å; G74-T79 WeakPolarHBondContact CA-O 3.03Å
75	Q	54.3	Low	58.3	Low	126 Å²	126	79.5 Å²	79.5	59%	0.589	47%	0.471	S	S	*	.	S	Bend	trans	-65	101.8	156.9	-83.4	-159.4	-66.9	0	0	107.4	K59	K59-Q75 PolarHBondContact O-OE1 2.89Å
76	G	51.3	Low	57.2	Low	58 Å²	58	84 Å²	84	60%	0.598	49%	0.492	S	S	*	.	S	Bend	trans	79.2	162.4	172.9	0	0	0	0	0	115.1	G74 G78	G74-G76 VanDerWaalsContact C-N 3.34Å; G74-G76 PolarHBondContact O-N 3.16Å; G76-G78 PolarHBondContact O-N 2.98Å; G76-G78 VanDerWaalsContact O-N 3.09Å
77	A	46.1	Very low	55.9	Low	116 Å²	116	90.9 Å²	90.9	96%	0.959	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	110.9	-169.4	0	0	0	0	0	113.1
78	G	49	Very low	54.9	Low	67 Å²	67	94.5 Å²	94.5	69%	0.691	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.9	-0.9	156.7	0	0	0	0	0	118.6	G76	G76-G78 PolarHBondContact O-N 2.98Å; G76-G78 VanDerWaalsContact O-N 3.09Å
79	T	45.6	Very low	53.8	Low	98 Å²	98	92.8 Å²	92.8	60%	0.601	53%	0.531	S	S	*	.			trans	-117.6	93.7	175.9	62.6	0	0	0	0	111.9	G74 N81	G74-T79 WeakPolarHBondContact CA-O 3.03Å; T79-N81 PolarHBondContact O-N 2.85Å
80	L	45.9	Very low	53.4	Low	113 Å²	113	89.6 Å²	89.6	59%	0.592	52%	0.518	S	S	*	.			trans	-82.3	92.1	173.5	41.2	161.5	0	0	0	108.5	M82	L80-M82 HydrophobicContact CB-CE 4.41Å; L80-M82 HydrophobicContact CD1-CE 4.39Å
81	N	57.3	Low	52.9	Low	76 Å²	76	96.4 Å²	96.4	41%	0.406	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-89	126.9	172.3	-163.2	-25.5	0	0	0	109.8	Y73 T79 D83	Y73-N81 PolarHBondContact N-O 3.2Å; Y73-N81 PolarHBondContact O-N 2.9Å; T79-N81 PolarHBondContact O-N 2.85Å; N81-D83 WeakPolarHBondContact OD1-CB 3.26Å; N81-D83 PolarHBondContact OD1-N 3.37Å
82	M	52.1	Low	52.7	Low	97 Å²	97	89.7 Å²	89.7	48%	0.478	51%	0.513	S	S	.	.			trans	-97.6	0.3	-179.2	-64.1	-62.8	170.9	0	0	113.2	Y71 L80 R84	Y71-M82 HydrophobicContact CD1-CE 3.77Å; Y71-M82 HydrophobicContact CD2-CE 3.46Å; Y71-M82 VanDerWaalsContact CD2-CE 3.46Å; Y71-M82 HydrophobicContact CD2-SD 3.93Å; Y71-M82 HydrophobicContact CE1-CE 3.57Å; Y71-M82 HydrophobicContact CE2-CE 3.24Å; Y71-M82 HydrophobicContact CE2-SD 4.11Å; Y71-M82 HydrophobicContact CG-CE 3.72Å; Y71-M82 HydrophobicContact CG-SD 4.36Å; L80-M82 HydrophobicContact CB-CE 4.41Å; L80-M82 HydrophobicContact CD1-CE 4.39Å; M82-R84 PolarHBondContact O-N 3.24Å; M82-R84 VanDerWaalsContact O-N 3.16Å
83	D	56.5	Low	52.4	Low	75 Å²	75	97.3 Å²	97.3	40%	0.401	54%	0.541	S	S	.	.			trans	-79.7	104.7	-177.8	-158.8	-84.2	0	0	0	110	N81 G85	N81-D83 WeakPolarHBondContact OD1-CB 3.26Å; N81-D83 PolarHBondContact OD1-N 3.37Å; D83-G85 PolarHBondContact O-N 3.4Å; D83-G85 VanDerWaalsContact OD1-CA 3.31Å; D83-G85 WeakPolarHBondContact OD1-CA 3.37Å; D83-G85 PolarHBondContact OD1-N 2.9Å
84	R	56.5	Low	52.2	Low	140 Å²	140	104.5 Å²	104.5	53%	0.528	58%	0.576	S	S	.	*			trans	-64.6	5.9	173.5	-167.7	173.8	171.1	116.4	-3.5	112.6	M82 E86	M82-R84 PolarHBondContact O-N 3.24Å; M82-R84 VanDerWaalsContact O-N 3.16Å; R84-E86 PolarHBondContact O-N 2.82Å
85	G	56.1	Low	51.9	Low	1 Å²	1	109.1 Å²	109.1	1%	0.01	60%	0.597	C	S	.	*	S	Bend	trans	69.8	14.7	178.5	0	0	0	0	0	113.5	D83 R87 L88 I90	D83-G85 PolarHBondContact O-N 3.4Å; D83-G85 VanDerWaalsContact OD1-CA 3.31Å; D83-G85 WeakPolarHBondContact OD1-CA 3.37Å; D83-G85 PolarHBondContact OD1-N 2.9Å; G85-R87 PolarHBondContact O-N 3.08Å; G85-R87 VanDerWaalsContact O-N 3.11Å; G85-L88 PolarHBondContact O-N 2.99Å; G85-I90 WeakPolarHBondContact O-CD1 3.14Å
86	E	54.3	Low	51.7	Low	134 Å²	134	111.5 Å²	111.5	63%	0.626	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-59.7	-27.2	-176.5	-154.1	131	90.1	0	0	112	R84 L88 G89	R84-E86 PolarHBondContact O-N 2.82Å; E86-L88 PolarHBondContact O-N 3.44Å; E86-G89 PolarHBondContact O-N 3.27Å
87	R	55.8	Low	51.2	Low	219 Å²	219	115.1 Å²	115.1	83%	0.826	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-66.7	-11.7	175.5	-56.9	176.9	69.3	134.4	2.3	114.2	G85	G85-R87 PolarHBondContact O-N 3.08Å; G85-R87 VanDerWaalsContact O-N 3.11Å
88	L	54.8	Low	51.7	Low	104 Å²	104	118.6 Å²	118.6	55%	0.545	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-107.8	15.1	-178.9	-60	175.3	0	0	0	112.7	V39 G85 E86 I90	V39-L88 HydrophobicContact CG1-CD1 3.73Å; G85-L88 PolarHBondContact O-N 2.99Å; E86-L88 PolarHBondContact O-N 3.44Å; L88-I90 VanDerWaalsContact C-N 3.28Å; L88-I90 HydrophobicContact CB-CD1 4.09Å; L88-I90 HydrophobicContact CB-CG1 4.17Å; L88-I90 PolarHBondContact O-N 2.89Å
89	G	51.8	Low	51.6	Low	67 Å²	67	124.5 Å²	124.5	69%	0.691	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.4	19.6	173.7	0	0	0	0	0	114.6	E86 K91	E86-G89 PolarHBondContact O-N 3.27Å; G89-K91 PolarHBondContact O-N 2.97Å; G89-K91 VanDerWaalsContact O-N 3.08Å
90	I	56.3	Low	51.7	Low	37 Å²	37	124.9 Å²	124.9	19%	0.19	63%	0.626	C	S	.	*			trans	-80.6	92	-178.5	-48.9	159.2	0	0	0	107.9	K65 G85 L88 P92	K65-I90 HydrophobicContact CD-CB 4.33Å; K65-I90 HydrophobicContact CD-CD1 3.49Å; K65-I90 VanDerWaalsContact CD-CD1 3.49Å; K65-I90 HydrophobicContact CD-CG1 3.74Å; K65-I90 HydrophobicContact CD-CG2 3.62Å; K65-I90 HydrophobicContact CG-CD1 3.93Å; G85-I90 WeakPolarHBondContact O-CD1 3.14Å; L88-I90 VanDerWaalsContact C-N 3.28Å; L88-I90 HydrophobicContact CB-CD1 4.09Å; L88-I90 HydrophobicContact CB-CG1 4.17Å; L88-I90 PolarHBondContact O-N 2.89Å; I90-P92 VanDerWaalsContact O-CD 3.26Å; I90-P92 WeakPolarHBondContact O-CD 3.38Å
91	K	52.4	Low	52.2	Low	199 Å²	199	125.6 Å²	125.6	87%	0.865	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-64.8	117.4	165.9	-79.3	-179	161.5	-176.2	0	108.3	G89 E93	G89-K91 PolarHBondContact O-N 2.97Å; G89-K91 VanDerWaalsContact O-N 3.08Å; K91-E93 PolarHBondContact O-N 3.05Å
92	P	48.3	Very low	51.9	Low	57 Å²	57	127.5 Å²	127.5	37%	0.37	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-69.4	119.3	171.7	27.5	-29.3	0	0	0	108.5	I90	I90-P92 VanDerWaalsContact O-CD 3.26Å; I90-P92 WeakPolarHBondContact O-CD 3.38Å
93	E	49	Very low	51.9	Low	186 Å²	186	129.5 Å²	129.5	87%	0.869	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-68.8	132.6	161.5	-166.9	163	100.1	0	0	108.3	K91 T95	K91-E93 PolarHBondContact O-N 3.05Å; E93-T95 PolarHBondContact O-N 3.43Å
94	E	48.5	Very low	51.9	Low	188 Å²	188	131.6 Å²	131.6	88%	0.879	68%	0.68	S	S	*	*			trans	-80	82.2	-163.5	-163.1	176.2	113.2	0	0	111	Q96	E94-Q96 PolarHBondContact O-N 3.35Å
95	T	48.3	Very low	51.8	Low	133 Å²	133	131.3 Å²	131.3	82%	0.816	69%	0.688	S	S	*	*			trans	-85.6	106.3	166.4	-53.9	0	0	0	0	109.5	E93	E93-T95 PolarHBondContact O-N 3.43Å
96	Q	50.2	Low	51.6	Low	176 Å²	176	136.7 Å²	136.7	82%	0.822	72%	0.723	S	S	*	*			trans	-4.5	118.5	172	-59.9	-177.4	6.3	0	0	117.1	E94	E94-Q96 PolarHBondContact O-N 3.35Å
97	T	40.1	Very low	51.4	Low	134 Å²	134	135.1 Å²	135.1	82%	0.822	73%	0.727	S	S	*	*			trans	-63.6	129.5	169.4	48.5	0	0	0	0	111.7	K99	T97-K99 PolarHBondContact O-N 3.2Å; T97-K99 VanDerWaalsContact O-N 3.07Å
98	H	58	Low	51.3	Low	190 Å²	190	134.2 Å²	134.2	88%	0.88	73%	0.729	S	S	*	*			trans	-60.3	110.7	161.5	-81.2	-101.3	0	0	0	109.3	P100	H98-P100 WeakPolarHBondContact O-CD 3.43Å
99	K	45.8	Very low	51.2	Low	190 Å²	190	138.6 Å²	138.6	83%	0.826	74%	0.744	S	S	*	*			trans	-64.4	120.2	171	-176.1	-179.3	-178.8	-174	0	108.8	T97 T101	T97-K99 PolarHBondContact O-N 3.2Å; T97-K99 VanDerWaalsContact O-N 3.07Å; K99-T101 PolarHBondContact O-N 3.35Å
100	P	48.2	Very low	51.2	Low	107 Å²	107	139.8 Å²	139.8	70%	0.695	75%	0.747	S	S	*	*			trans	-63	124.3	171.2	-16.1	29.1	0	0	0	108.6	H98 T102	H98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-T102 PolarHBondContact O-N 3Å
101	T	55.3	Low	51.4	Low	127 Å²	127	145 Å²	145	78%	0.779	77%	0.771	S	S	*	*			trans	-68.3	99.6	166.3	-175.7	0	0	0	0	107.6	K99 N103	K99-T101 PolarHBondContact O-N 3.35Å; T101-N103 VanDerWaalsContact C-N 3.35Å; T101-N103 PolarHBondContact O-N 2.91Å; T101-N103 VanDerWaalsContact O-N 3.08Å
102	T	51.2	Low	51.4	Low	117 Å²	117	144.9 Å²	144.9	72%	0.718	77%	0.771	S	S	*	*			trans	-72.2	96.4	169.1	131.1	0	0	0	0	106.1	P100 P104	P100-T102 PolarHBondContact O-N 3Å; T102-P104 WeakPolarHBondContact O-CD 3.31Å
103	N	53.6	Low	51.6	Low	139 Å²	139	150.7 Å²	150.7	74%	0.743	79%	0.79	S	S	*	*			trans	-86.4	114.6	161	-106.3	11	0	0	0	107.6	T101 N105	T101-N103 VanDerWaalsContact C-N 3.35Å; T101-N103 PolarHBondContact O-N 2.91Å; T101-N103 VanDerWaalsContact O-N 3.08Å; N103-N105 VanDerWaalsContact C-N 3.32Å; N103-N105 PolarHBondContact O-N 2.79Å
104	P	56.8	Low	51.9	Low	119 Å²	119	145 Å²	145	77%	0.773	78%	0.781	S	S	*	*			trans	-84.1	79.7	176.3	34.5	-30.5	0	0	0	108.3	T102	T102-P104 WeakPolarHBondContact O-CD 3.31Å
105	N	52.8	Low	52.4	Low	133 Å²	133	139.5 Å²	139.5	71%	0.711	78%	0.775	S	S	*	*			trans	-112.6	110	164.5	-162.6	3.8	0	0	0	109	N103 S107	N103-N105 VanDerWaalsContact C-N 3.32Å; N103-N105 PolarHBondContact O-N 2.79Å; N105-S107 VanDerWaalsContact C-N 3.29Å; N105-S107 PolarHBondContact O-N 3.5Å
106	P	52.3	Low	53.4	Low	114 Å²	114	136.1 Å²	136.1	74%	0.74	76%	0.757	S	S	*	*			trans	-83.2	74.8	-178.8	35.1	-32.1	0	0	0	109.1	K108	P106-K108 PolarHBondContact O-N 3.05Å; P106-K108 VanDerWaalsContact O-N 3.11Å
107	S	50.7	Low	54.8	Low	102 Å²	102	130.8 Å²	130.8	71%	0.713	73%	0.734	S	S	*	*			trans	-79.6	95.7	164.3	53.1	0	0	0	0	108.8	N105 F109	N105-S107 VanDerWaalsContact C-N 3.29Å; N105-S107 PolarHBondContact O-N 3.5Å; S107-F109 VanDerWaalsContact C-N 3.32Å; S107-F109 PolarHBondContact O-N 3.3Å
108	K	53.8	Low	56.9	Low	199 Å²	199	130.7 Å²	130.7	87%	0.865	72%	0.722	S	S	*	*	S	Bend	trans	-48.6	90.4	162.6	-74.7	179.9	172.8	177.7	0	109.9	P106	P106-K108 PolarHBondContact O-N 3.05Å; P106-K108 VanDerWaalsContact O-N 3.11Å
109	F	52.9	Low	58.3	Low	196 Å²	196	121.8 Å²	121.8	86%	0.86	68%	0.681	S	S	*	*			trans	-168.1	28.1	154.5	-124.3	-84.8	0	0	0	114.5	S107 Q111	S107-F109 VanDerWaalsContact C-N 3.32Å; S107-F109 PolarHBondContact O-N 3.3Å; F109-Q111 VanDerWaalsContact C-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.93Å
110	A	51.8	Low	60	Low	92 Å²	92	115.4 Å²	115.4	76%	0.76	66%	0.664	S	S	*	*			trans	-92.5	61.7	172.1	0	0	0	0	0	111.2	K112	A110-K112 PolarHBondContact O-N 3.26Å
111	Q	58.7	Low	61.6	Low	146 Å²	146	113.5 Å²	113.5	68%	0.682	64%	0.643	S	S	*	*			trans	-76.2	83	159.2	-72.3	-172	-25.1	0	0	107.7	F109 F113	F109-Q111 VanDerWaalsContact C-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.93Å; Q111-F113 HydrophobicContact CB-CD2 3.94Å; Q111-F113 HydrophobicContact CB-CE2 3.69Å; Q111-F113 HydrophobicContact CG-CE2 4.43Å; Q111-F113 PolarHBondContact O-N 2.92Å
112	K	53.9	Low	63	Low	198 Å²	198	110 Å²	110	86%	0.861	62%	0.623	S	S	*	*			trans	-65.5	89.3	164.8	-83.3	-179.1	173.4	175	0	107.7	A110 G114	A110-K112 PolarHBondContact O-N 3.26Å; K112-G114 PolarHBondContact O-N 3.25Å
113	F	51.3	Low	64.4	Low	179 Å²	179	106.6 Å²	106.6	79%	0.785	61%	0.611	S	S	*	*			trans	-71.7	58.3	161.1	-74.9	-85.8	0	0	0	109.7	Q111 G115	Q111-F113 HydrophobicContact CB-CD2 3.94Å; Q111-F113 HydrophobicContact CB-CE2 3.69Å; Q111-F113 HydrophobicContact CG-CE2 4.43Å; Q111-F113 PolarHBondContact O-N 2.92Å; F113-G115 VanDerWaalsContact C-N 3.3Å; F113-G115 PolarHBondContact O-N 2.08Å
114	G	55.8	Low	65.7	Low	65 Å²	65	104.8 Å²	104.8	67%	0.67	60%	0.601	S	S	*	*			trans	-93.6	66.1	167.7	0	0	0	0	0	108.5	K112 S116	K112-G114 PolarHBondContact O-N 3.25Å; G114-S116 VanDerWaalsContact C-N 3.33Å; G114-S116 PolarHBondContact O-N 3.47Å
115	G	59.5	Low	67.1	Low	73 Å²	73	100.8 Å²	100.8	75%	0.753	58%	0.576	S	S	*	*			trans	-64.3	96.1	173.2	0	0	0	0	0	108.5	F113 D117	F113-G115 VanDerWaalsContact C-N 3.3Å; F113-G115 PolarHBondContact O-N 2.08Å; G115-D117 PolarHBondContact O-N 3.5Å
116	S	68.8	Low	68.5	Low	62 Å²	62	94.8 Å²	94.8	43%	0.434	54%	0.544	S	S	.	.			trans	-64.8	118.2	169.7	44.4	0	0	0	0	107.7	G114 K118 S125	G114-S116 VanDerWaalsContact C-N 3.33Å; G114-S116 PolarHBondContact O-N 3.47Å; S116-K118 VanDerWaalsContact O-CG 3.27Å; S116-K118 WeakPolarHBondContact O-CG 3.23Å; S116-K118 PolarHBondContact O-N 2.86Å; S116-S125 PolarHBondContact OG-OG 2.91Å
117	D	79.9	Confident	69.9	Low	65 Å²	65	96.9 Å²	96.9	35%	0.348	54%	0.538	S	S	.	.			trans	-51.4	123.9	170.3	-82	-46.3	0	0	0	108.6	G115 S125 V126 K131 P138	G115-D117 PolarHBondContact O-N 3.5Å; D117-S125 CarbonylContact O-C 3.59Å; D117-S125 WeakPolarHBondContact O-CA 3.49Å; D117-V126 PolarHBondContact O-N 3.27Å; D117-K131 WeakPolarHBondContact OD2-CE 3.42Å; D117-K131 IonicContact OD2-NZ 2.7Å; D117-K131 PolarHBondContact OD2-NZ 3.05Å; D117-P138 HydrophobicContact CB-CB 3.73Å; D117-P138 HydrophobicContact CB-CG 3.58Å
118	K	85	Confident	71.2	Confident	132 Å²	132	96.5 Å²	96.5	57%	0.574	54%	0.542	S	S	*	.	B	Isolated β-bridge	trans	-108.9	137.4	-176.4	-55.8	-166.7	178.8	-156.5	0	111	S116 A120 D124	S116-K118 VanDerWaalsContact O-CG 3.27Å; S116-K118 WeakPolarHBondContact O-CG 3.23Å; S116-K118 PolarHBondContact O-N 2.86Å; K118-A120 PolarHBondContact O-N 3.1Å; K118-D124 WeakPolarHBondContact CA-O 3.44Å
119	C	86.8	Confident	72.3	Confident	2 Å²	2	90.9 Å²	90.9	1%	0.014	53%	0.532	C	S	.	.			trans	-67.9	128.9	176.9	-177.6	0	0	0	0	110.1	R121 C122 G123 D124 V126 P138 H140	C119-R121 PolarHBondContact O-N 3.42Å; C119-R121 VanDerWaalsContact O-N 3.16Å; C119-R121 PolarHBondContact SG-N 3.36Å; C119-R121 VanDerWaalsContact SG-N 3.42Å; C119-C122 VanDerWaalsContact CB-SG 3.51Å; C119-G123 VanDerWaalsContact O-CA 3.23Å; C119-G123 WeakPolarHBondContact O-CA 3.29Å; C119-G123 PolarHBondContact O-N 2.97Å; C119-D124 PolarHBondContact N-O 3.16Å; C119-V126 HydrophobicContact CB-CG2 3.52Å; C119-V126 VanDerWaalsContact N-CG2 3.34Å; C119-P138 WeakPolarHBondContact CA-O 3.37Å; C119-H140 VanDerWaalsContact CB-CE1 3.46Å; C119-H140 WeakPolarHBondContact CB-CE1 3.42Å; C119-H140 VanDerWaalsContact CB-ND1 3.3Å; C119-H140 WeakPolarHBondContact CB-ND1 3.31Å
120	A	81.1	Confident	73.4	Confident	56 Å²	56	85.8 Å²	85.8	46%	0.463	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	177.6	0	0	0	0	0	113.9	K118 K137 W139	K118-A120 PolarHBondContact O-N 3.1Å; A120-K137 HydrophobicContact CB-CD 4.16Å; A120-W139 HydrophobicContact CB-CH2 3.93Å; A120-W139 HydrophobicContact CB-CZ2 3.68Å
121	R	82.7	Confident	74.8	Confident	68 Å²	68	85 Å²	85	26%	0.257	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-43.4	-176.6	178.2	166.4	-74.8	165	-7.2	114.9	C119 W139 C143 R145 E164	C119-R121 PolarHBondContact O-N 3.42Å; C119-R121 VanDerWaalsContact O-N 3.16Å; C119-R121 PolarHBondContact SG-N 3.36Å; C119-R121 VanDerWaalsContact SG-N 3.42Å; R121-W139 HydrophobicContact CB-CE3 4.07Å; R121-W139 HydrophobicContact CB-CH2 4.42Å; R121-W139 HydrophobicContact CB-CZ3 3.56Å; R121-C143 PolarHBondContact NH1-O 2.98Å; R121-R145 PolarHBondContact NH1-O 3.46Å; R121-E164 IonicContact CZ-OE2 3.57Å; R121-E164 IonicContact NE-OE2 3.53Å; R121-E164 IonicContact NH2-OE2 2.77Å; R121-E164 PolarHBondContact NH2-OE2 3.07Å
122	C	84.1	Confident	75.8	Confident	54 Å²	54	79.7 Å²	79.7	37%	0.365	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14	178.3	64.3	0	0	0	0	113.5	C119 D124 H140	C119-C122 VanDerWaalsContact CB-SG 3.51Å; C122-D124 PolarHBondContact O-N 2.9Å; C122-D124 PolarHBondContact SG-OD2 3.35Å; C122-H140 PolarHBondContact SG-CE1 3.02Å; C122-H140 PolarHBondContact SG-ND1 3.08Å
123	G	80.2	Confident	77.1	Confident	44 Å²	44	74.8 Å²	74.8	45%	0.454	45%	0.448	S	S	.	.			trans	76.5	-8.2	-177	0	0	0	0	0	114.4	C119	C119-G123 VanDerWaalsContact O-CA 3.23Å; C119-G123 WeakPolarHBondContact O-CA 3.29Å; C119-G123 PolarHBondContact O-N 2.97Å
124	D	81.6	Confident	78.2	Confident	102 Å²	102	66.3 Å²	66.3	55%	0.545	41%	0.41	S	S	.	.			trans	-74.7	154.8	179.3	-58.1	-52	0	0	0	112.2	K118 C119 C122 V126	K118-D124 WeakPolarHBondContact CA-O 3.44Å; C119-D124 PolarHBondContact N-O 3.16Å; C122-D124 PolarHBondContact O-N 2.9Å; C122-D124 PolarHBondContact SG-OD2 3.35Å; D124-V126 PolarHBondContact O-N 2.6Å
125	S	84.5	Confident	78.9	Confident	34 Å²	34	65.5 Å²	65.5	24%	0.238	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-62.7	130.9	174.1	-61.8	0	0	0	0	111	S116 D117 H140	S116-S125 PolarHBondContact OG-OG 2.91Å; D117-S125 CarbonylContact O-C 3.59Å; D117-S125 WeakPolarHBondContact O-CA 3.49Å; S125-H140 PolarHBondContact O-NE2 3.25Å; S125-H140 VanDerWaalsContact O-NE2 3.09Å
126	V	83.6	Confident	79.7	Confident	8 Å²	8	65.2 Å²	65.2	5%	0.048	39%	0.394	C	S	.	.			trans	-98.7	109.6	177.3	-176.6	0	0	0	0	107.6	D117 C119 D124 K131 P138 W139	D117-V126 PolarHBondContact O-N 3.27Å; C119-V126 HydrophobicContact CB-CG2 3.52Å; C119-V126 VanDerWaalsContact N-CG2 3.34Å; D124-V126 PolarHBondContact O-N 2.6Å; V126-K131 HydrophobicContact CG1-CB 3.72Å; V126-K131 HydrophobicContact CG1-CG 4.21Å; V126-P138 HydrophobicContact CB-CB 4.5Å; V126-W139 WeakPolarHBondContact CG1-O 3.31Å
127	Y	82.2	Confident	80.3	Confident	157 Å²	157	67 Å²	67	62%	0.616	39%	0.394	S	S	*	.			trans	-79.8	155	177.1	-60.6	-79.7	0	0	0	111.1	A129 E130 K131	Y127-A129 PolarHBondContact O-N 3.09Å; Y127-E130 PolarHBondContact O-N 3.03Å; Y127-K131 WeakPolarHBondContact O-CB 3.38Å; Y127-K131 PolarHBondContact O-N 3.29Å
128	A	76.4	Confident	80.5	Confident	95 Å²	95	64.7 Å²	64.7	79%	0.785	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.4	-176.5	0	0	0	0	0	114.2
129	A	77.5	Confident	80.6	Confident	80 Å²	80	58.4 Å²	58.4	66%	0.661	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-34.8	177.8	0	0	0	0	0	113.4	Y127 K141	Y127-A129 PolarHBondContact O-N 3.09Å; A129-K141 WeakPolarHBondContact O-CE 3.49Å; A129-K141 PolarHBondContact O-NZ 2.84Å
130	E	76.5	Confident	80.6	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.421	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.3	-177.2	-62.9	-171.2	109	0	0	113.3	Y127 I132 H140 K141	Y127-E130 PolarHBondContact O-N 3.03Å; E130-I132 PolarHBondContact O-N 3.11Å; E130-H140 IonicContact OE2-CD2 3.98Å; E130-K141 PolarHBondContact O-N 2.88Å
131	K	80.5	Confident	80.7	Confident	74 Å²	74	62.2 Å²	62.2	32%	0.322	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	123	178.1	-177.8	176.1	174.3	172	0	110.7	D117 V126 Y127 M133 P138	D117-K131 WeakPolarHBondContact OD2-CE 3.42Å; D117-K131 IonicContact OD2-NZ 2.7Å; D117-K131 PolarHBondContact OD2-NZ 3.05Å; V126-K131 HydrophobicContact CG1-CB 3.72Å; V126-K131 HydrophobicContact CG1-CG 4.21Å; Y127-K131 WeakPolarHBondContact O-CB 3.38Å; Y127-K131 PolarHBondContact O-N 3.29Å; K131-M133 HydrophobicContact CD-SD 4.49Å; K131-M133 WeakPolarHBondContact CE-SD 3.38Å; K131-P138 HydrophobicContact CG-CB 4.43Å
132	I	80.7	Confident	80.7	Confident	35 Å²	35	65.1 Å²	65.1	18%	0.179	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.3	162.1	53.4	153.9	0	0	0	108.1	E130 W139 K141 F144	E130-I132 PolarHBondContact O-N 3.11Å; I132-W139 HydrophobicContact CD1-CB 4.11Å; I132-W139 HydrophobicContact CG1-CB 3.97Å; I132-W139 WeakPolarHBondContact CG1-O 3.3Å; I132-W139 PolarHBondContact N-O 2.61Å; I132-W139 PolarHBondContact O-N 3.37Å; I132-K141 HydrophobicContact CG2-CG 4.04Å; I132-F144 HydrophobicContact CD1-CB 3.16Å; I132-F144 HydrophobicContact CD1-CD1 3.61Å; I132-F144 HydrophobicContact CD1-CD2 3.3Å; I132-F144 HydrophobicContact CD1-CE1 4.38Å; I132-F144 HydrophobicContact CD1-CE2 4.12Å; I132-F144 HydrophobicContact CD1-CG 3.02Å; I132-F144 HydrophobicContact CG1-CB 4.45Å; I132-F144 HydrophobicContact CG1-CD2 4.42Å; I132-F144 HydrophobicContact CG1-CG 4.42Å
133	M	80.1	Confident	80.8	Confident	96 Å²	96	63.7 Å²	63.7	47%	0.473	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.4	177.7	-67.3	-60.2	-68.3	0	0	108.5	K131 P138	K131-M133 HydrophobicContact CD-SD 4.49Å; K131-M133 WeakPolarHBondContact CE-SD 3.38Å; M133-P138 HydrophobicContact SD-CB 4.27Å
134	G	74.5	Confident	81.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116	179.2	0	0	0	0	0	110.2	G136 K137 W139	G134-G136 PolarHBondContact O-N 3.08Å; G134-K137 PolarHBondContact N-O 2.62Å; G134-K137 PolarHBondContact O-N 2.55Å; G134-K137 VanDerWaalsContact O-O 3.09Å; G134-W139 PolarHBondContact O-NE1 2.62Å; G134-W139 VanDerWaalsContact O-NE1 3.17Å
135	A	70.3	Confident	81.4	Confident	49 Å²	49	62.9 Å²	62.9	41%	0.405	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	41.1	-179.8	0	0	0	0	0	113.6	K137 E160	A135-K137 PolarHBondContact O-N 3.23Å; A135-E160 HydrophobicContact CB-CB 3.35Å; A135-E160 HydrophobicContact CB-CG 3.94Å; A135-E160 VanDerWaalsContact CB-OE2 3.23Å; A135-E160 WeakPolarHBondContact CB-OE2 3.41Å
136	G	75.8	Confident	81.5	Confident	66 Å²	66	61.4 Å²	61.4	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-1.5	178.4	0	0	0	0	0	115.2	G134	G134-G136 PolarHBondContact O-N 3.08Å
137	K	81.7	Confident	81.6	Confident	100 Å²	100	63.2 Å²	63.2	44%	0.435	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	150.1	174.7	-65.1	177.3	-172.8	-68.1	0	111.2	A120 G134 A135	A120-K137 HydrophobicContact CB-CD 4.16Å; G134-K137 PolarHBondContact N-O 2.62Å; G134-K137 PolarHBondContact O-N 2.55Å; G134-K137 VanDerWaalsContact O-O 3.09Å; A135-K137 PolarHBondContact O-N 3.23Å
138	P	85.1	Confident	81.8	Confident	17 Å²	17	61.8 Å²	61.8	11%	0.11	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.2	173.8	31.4	-31.9	0	0	0	110.7	D117 C119 V126 K131 M133	D117-P138 HydrophobicContact CB-CB 3.73Å; D117-P138 HydrophobicContact CB-CG 3.58Å; C119-P138 WeakPolarHBondContact CA-O 3.37Å; V126-P138 HydrophobicContact CB-CB 4.5Å; K131-P138 HydrophobicContact CG-CB 4.43Å; M133-P138 HydrophobicContact SD-CB 4.27Å
139	W	87.2	Confident	82.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.7	177.3	-60.4	75.4	0	0	0	110.1	A120 R121 V126 I132 G134 F144 I165	A120-W139 HydrophobicContact CB-CH2 3.93Å; A120-W139 HydrophobicContact CB-CZ2 3.68Å; R121-W139 HydrophobicContact CB-CE3 4.07Å; R121-W139 HydrophobicContact CB-CH2 4.42Å; R121-W139 HydrophobicContact CB-CZ3 3.56Å; V126-W139 WeakPolarHBondContact CG1-O 3.31Å; I132-W139 HydrophobicContact CD1-CB 4.11Å; I132-W139 HydrophobicContact CG1-CB 3.97Å; I132-W139 WeakPolarHBondContact CG1-O 3.3Å; I132-W139 PolarHBondContact N-O 2.61Å; I132-W139 PolarHBondContact O-N 3.37Å; G134-W139 PolarHBondContact O-NE1 2.62Å; G134-W139 VanDerWaalsContact O-NE1 3.17Å; W139-F144 HydrophobicContact CB-CD2 3.76Å; W139-F144 HydrophobicContact CB-CE2 4.49Å; W139-F144 HydrophobicContact CD2-CD2 4.1Å; W139-F144 HydrophobicContact CD2-CE2 4.39Å; W139-F144 HydrophobicContact CE3-CD2 4.41Å; W139-F144 AromaticContact CG-CD2 3.79Å; W139-F144 HydrophobicContact CG-CD2 3.79Å; W139-F144 HydrophobicContact CG-CE2 4.14Å; W139-I165 HydrophobicContact CE3-CD1 4.19Å; W139-I165 HydrophobicContact CH2-CG1 4.28Å; W139-I165 HydrophobicContact CH2-CG2 4.01Å; W139-I165 HydrophobicContact CZ2-CG2 3.8Å; W139-I165 HydrophobicContact CZ3-CD1 4.1Å; W139-I165 HydrophobicContact CZ3-CG1 4.17Å
140	H	87.2	Confident	82.5	Confident	20 Å²	20	59 Å²	59	9%	0.093	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	147.3	164.6	-54.8	96	0	0	0	110.3	C119 C122 S125 E130 N142 C143 F144	C119-H140 VanDerWaalsContact CB-CE1 3.46Å; C119-H140 WeakPolarHBondContact CB-CE1 3.42Å; C119-H140 VanDerWaalsContact CB-ND1 3.3Å; C119-H140 WeakPolarHBondContact CB-ND1 3.31Å; C122-H140 PolarHBondContact SG-CE1 3.02Å; C122-H140 PolarHBondContact SG-ND1 3.08Å; S125-H140 PolarHBondContact O-NE2 3.25Å; S125-H140 VanDerWaalsContact O-NE2 3.09Å; E130-H140 IonicContact OE2-CD2 3.98Å; H140-N142 PolarHBondContact O-N 2.99Å; H140-N142 VanDerWaalsContact O-N 3.15Å; H140-C143 HydrophobicContact CB-CB 4.02Å; H140-C143 PolarHBondContact O-N 2.88Å; H140-F144 WeakPolarHBondContact O-CB 3.31Å; H140-F144 PolarHBondContact O-N 3.31Å
141	K	82.5	Confident	82.9	Confident	118 Å²	118	61.6 Å²	61.6	51%	0.513	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-41.1	172.5	-55.5	-172.5	-146.1	-70.9	0	112.5	A129 E130 I132 F144	A129-K141 WeakPolarHBondContact O-CE 3.49Å; A129-K141 PolarHBondContact O-NZ 2.84Å; E130-K141 PolarHBondContact O-N 2.88Å; I132-K141 HydrophobicContact CG2-CG 4.04Å; K141-F144 PolarHBondContact O-N 3.26Å
142	N	83.4	Confident	83	Confident	129 Å²	129	62.6 Å²	62.6	69%	0.69	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-32.3	-179.4	-164.3	27.3	0	0	0	113.3	H140 F144	H140-N142 PolarHBondContact O-N 2.99Å; H140-N142 VanDerWaalsContact O-N 3.15Å; N142-F144 PolarHBondContact O-N 3.29Å
143	C	85.4	Confident	83	Confident	23 Å²	23	61.9 Å²	61.9	16%	0.155	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.2	176	-64.7	0	0	0	0	112.2	R121 H140 R145	R121-C143 PolarHBondContact NH1-O 2.98Å; H140-C143 HydrophobicContact CB-CB 4.02Å; H140-C143 PolarHBondContact O-N 2.88Å; C143-R145 VanDerWaalsContact C-N 3.26Å; C143-R145 PolarHBondContact O-N 2.85Å
144	F	85.8	Confident	82.7	Confident	1 Å²	1	64.4 Å²	64.4	0%	0.004	36%	0.36	C	S	.	.			trans	-83.2	63.9	-175.7	-151.5	-106.6	0	0	0	114.2	I132 W139 H140 K141 N142 L153 Q158 I165	I132-F144 HydrophobicContact CD1-CB 3.16Å; I132-F144 HydrophobicContact CD1-CD1 3.61Å; I132-F144 HydrophobicContact CD1-CD2 3.3Å; I132-F144 HydrophobicContact CD1-CE1 4.38Å; I132-F144 HydrophobicContact CD1-CE2 4.12Å; I132-F144 HydrophobicContact CD1-CG 3.02Å; I132-F144 HydrophobicContact CG1-CB 4.45Å; I132-F144 HydrophobicContact CG1-CD2 4.42Å; I132-F144 HydrophobicContact CG1-CG 4.42Å; W139-F144 HydrophobicContact CB-CD2 3.76Å; W139-F144 HydrophobicContact CB-CE2 4.49Å; W139-F144 HydrophobicContact CD2-CD2 4.1Å; W139-F144 HydrophobicContact CD2-CE2 4.39Å; W139-F144 HydrophobicContact CE3-CD2 4.41Å; W139-F144 AromaticContact CG-CD2 3.79Å; W139-F144 HydrophobicContact CG-CD2 3.79Å; W139-F144 HydrophobicContact CG-CE2 4.14Å; H140-F144 WeakPolarHBondContact O-CB 3.31Å; H140-F144 PolarHBondContact O-N 3.31Å; K141-F144 PolarHBondContact O-N 3.26Å; N142-F144 PolarHBondContact O-N 3.29Å; F144-L153 HydrophobicContact CD1-CB 3.76Å; F144-L153 VanDerWaalsContact CD1-O 3.29Å; F144-L153 WeakPolarHBondContact CD1-O 2.89Å; F144-L153 HydrophobicContact CE1-CB 3.6Å; F144-L153 PolarHBondContact O-N 2.96Å; F144-Q158 HydrophobicContact CE1-CB 3.93Å; F144-Q158 HydrophobicContact CE1-CG 4.21Å; F144-Q158 HydrophobicContact CZ-CB 3.61Å; F144-Q158 HydrophobicContact CZ-CG 3.57Å; F144-I165 HydrophobicContact CB-CD1 4.41Å; F144-I165 HydrophobicContact CD1-CD1 4.41Å; F144-I165 HydrophobicContact CD2-CD1 3.44Å; F144-I165 VanDerWaalsContact CD2-CD1 3.44Å; F144-I165 HydrophobicContact CE2-CD1 3.57Å; F144-I165 HydrophobicContact CE2-CG2 4.11Å; F144-I165 HydrophobicContact CG-CD1 3.87Å; F144-I165 HydrophobicContact CZ-CD1 4.06Å
145	R	87.8	Confident	82.3	Confident	129 Å²	129	67.9 Å²	67.9	49%	0.487	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-125.2	149.9	-177.3	62.1	-171.5	-173.7	-173.4	1.9	111.4	R121 C143 A147 K151 I165	R121-R145 PolarHBondContact NH1-O 3.46Å; C143-R145 VanDerWaalsContact C-N 3.26Å; C143-R145 PolarHBondContact O-N 2.85Å; R145-A147 PolarHBondContact O-N 3.41Å; R145-K151 CarbonylContact C-O 3.58Å; R145-K151 VanDerWaalsContact CA-O 3.32Å; R145-K151 WeakPolarHBondContact CA-O 3.42Å; R145-I165 WeakPolarHBondContact O-CD1 2.99Å; R145-I165 VanDerWaalsContact O-CG1 3.31Å; R145-I165 WeakPolarHBondContact O-CG1 2.91Å
146	C	88.2	Confident	82.1	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.014	40%	0.4	C	S	.	.			trans	-63	131.2	175.6	178.8	0	0	0	0	111.1	K148 C149 G150 K151 L153 I165 C167 C170	C146-K148 PolarHBondContact O-N 2.77Å; C146-K148 PolarHBondContact SG-N 3.02Å; C146-K148 VanDerWaalsContact SG-N 3.39Å; C146-C149 WeakPolarHBondContact CB-SG 3.4Å; C146-C149 VanDerWaalsContact SG-SG 3.68Å; C146-G150 VanDerWaalsContact O-CA 3.24Å; C146-G150 WeakPolarHBondContact O-CA 2.71Å; C146-G150 PolarHBondContact O-N 3.29Å; C146-K151 PolarHBondContact N-O 2.95Å; C146-L153 HydrophobicContact CB-CD1 4.11Å; C146-L153 HydrophobicContact CB-CG 4.43Å; C146-I165 WeakPolarHBondContact CA-O 3.45Å; C146-C167 HydrophobicContact CB-CB 4Å; C146-C167 PolarHBondContact SG-N 2.84Å; C146-C170 PolarHBondContact SG-SG 2.75Å
147	A	85.6	Confident	81.7	Confident	46 Å²	46	70.9 Å²	70.9	38%	0.38	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.7	177.5	0	0	0	0	0	114.4	R145 E164 I165 Y166	R145-A147 PolarHBondContact O-N 3.41Å; A147-E164 HydrophobicContact CB-CG 3.48Å; A147-E164 VanDerWaalsContact CB-CG 3.48Å; A147-I165 PolarHBondContact N-O 3.24Å; A147-Y166 HydrophobicContact CB-CE1 4.41Å
148	K	85.8	Confident	81.3	Confident	127 Å²	127	67.6 Å²	67.6	55%	0.552	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-50.3	-179.3	-69.7	-65.7	-161.5	-175.2	0	113.8	C146 Y166 C170	C146-K148 PolarHBondContact O-N 2.77Å; C146-K148 PolarHBondContact SG-N 3.02Å; C146-K148 VanDerWaalsContact SG-N 3.39Å; K148-Y166 HydrophobicContact CD-CE1 4.32Å; K148-Y166 HydrophobicContact CG-CD1 3.75Å; K148-Y166 HydrophobicContact CG-CE1 3.55Å; K148-C170 HydrophobicContact CB-CB 4.37Å
149	C	86.1	Confident	81.1	Confident	70 Å²	70	68.6 Å²	68.6	47%	0.473	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-4	-173.8	66.2	0	0	0	0	113.7	C146 K151 C170	C146-C149 WeakPolarHBondContact CB-SG 3.4Å; C146-C149 VanDerWaalsContact SG-SG 3.68Å; C149-K151 PolarHBondContact O-N 2.79Å; C149-K151 VanDerWaalsContact SG-CB 3.51Å; C149-C170 PolarHBondContact SG-SG 3.5Å
150	G	83.1	Confident	80.8	Confident	46 Å²	46	71.9 Å²	71.9	47%	0.474	39%	0.392	S	S	.	.			trans	67.3	-1.4	-177.8	0	0	0	0	0	114.8	C146 S152	C146-G150 VanDerWaalsContact O-CA 3.24Å; C146-G150 WeakPolarHBondContact O-CA 2.71Å; C146-G150 PolarHBondContact O-N 3.29Å; G150-S152 PolarHBondContact O-N 3.15Å
151	K	83.4	Confident	80.4	Confident	146 Å²	146	71.8 Å²	71.8	64%	0.635	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-65.6	130.1	-178.7	-164.3	174.2	-173.7	-177.3	0	110.1	R145 C146 C149 L153	R145-K151 CarbonylContact C-O 3.58Å; R145-K151 VanDerWaalsContact CA-O 3.32Å; R145-K151 WeakPolarHBondContact CA-O 3.42Å; C146-K151 PolarHBondContact N-O 2.95Å; C149-K151 PolarHBondContact O-N 2.79Å; C149-K151 VanDerWaalsContact SG-CB 3.51Å; K151-L153 PolarHBondContact O-N 3.12Å
152	S	84.1	Confident	80	Confident	94 Å²	94	73.8 Å²	73.8	66%	0.657	41%	0.408	S	S	*	.	B	Isolated β-bridge	trans	-58.5	129.4	170.1	50.7	0	0	0	0	109.4	G150	G150-S152 PolarHBondContact O-N 3.15Å
153	L	79.8	Confident	79.6	Confident	20 Å²	20	69.5 Å²	69.5	11%	0.105	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-101	158.3	176.9	-60.8	173.8	0	0	0	108.5	F144 C146 K151 Q158 C167	F144-L153 HydrophobicContact CD1-CB 3.76Å; F144-L153 VanDerWaalsContact CD1-O 3.29Å; F144-L153 WeakPolarHBondContact CD1-O 2.89Å; F144-L153 HydrophobicContact CE1-CB 3.6Å; F144-L153 PolarHBondContact O-N 2.96Å; C146-L153 HydrophobicContact CB-CD1 4.11Å; C146-L153 HydrophobicContact CB-CG 4.43Å; K151-L153 PolarHBondContact O-N 3.12Å; L153-Q158 HydrophobicContact CD1-CB 4.16Å; L153-C167 HydrophobicContact CD2-CB 3.57Å
154	E	73.6	Confident	79.4	Confident	150 Å²	150	71.9 Å²	71.9	70%	0.701	40%	0.403	S	S	*	.			trans	-109.1	152.6	167.4	-75	-179.7	103.8	0	0	108.6	T156 T157 Q158	E154-T156 PolarHBondContact O-N 3.39Å; E154-T157 PolarHBondContact O-N 2.91Å; E154-T157 PolarHBondContact O-OG1 3.25Å; E154-Q158 PolarHBondContact O-OE1 2.95Å
155	S	67.1	Low	79.4	Confident	72 Å²	72	71.9 Å²	71.9	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-21.6	-173.4	39.3	0	0	0	0	115.2	Q158	S155-Q158 PolarHBondContact O-NE2 2.97Å; S155-Q158 PolarHBondContact O-OE1 3.06Å
156	T	65.2	Low	79.3	Confident	119 Å²	119	67.1 Å²	67.1	73%	0.73	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.7	-176.5	-46.4	0	0	0	0	113.5	E154	E154-T156 PolarHBondContact O-N 3.39Å
157	T	67.5	Low	79.3	Confident	59 Å²	59	67.7 Å²	67.7	36%	0.362	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	7.6	-170.9	62.3	0	0	0	0	115.1	E154	E154-T157 PolarHBondContact O-N 2.91Å; E154-T157 PolarHBondContact O-OG1 3.25Å
158	Q	74.3	Confident	79.2	Confident	32 Å²	32	71.7 Å²	71.7	15%	0.15	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	161.3	175.7	71.8	-104.2	9.4	0	0	114.4	F144 L153 E154 S155	F144-Q158 HydrophobicContact CE1-CB 3.93Å; F144-Q158 HydrophobicContact CE1-CG 4.21Å; F144-Q158 HydrophobicContact CZ-CB 3.61Å; F144-Q158 HydrophobicContact CZ-CG 3.57Å; L153-Q158 HydrophobicContact CD1-CB 4.16Å; E154-Q158 PolarHBondContact O-OE1 2.95Å; S155-Q158 PolarHBondContact O-NE2 2.97Å; S155-Q158 PolarHBondContact O-OE1 3.06Å
159	T	80.4	Confident	79.1	Confident	37 Å²	37	68.4 Å²	68.4	23%	0.227	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.7	164.5	40.8	0	0	0	0	108.3	Y166 Y171	T159-Y166 PolarHBondContact N-O 3.14Å; T159-Y166 PolarHBondContact O-N 3.02Å; T159-Y166 PolarHBondContact OG1-O 2.94Å; T159-Y171 HydrophobicContact CG2-CD2 4Å; T159-Y171 HydrophobicContact CG2-CE2 4.44Å; T159-Y171 HydrophobicContact CG2-CG 4.35Å; T159-Y171 WeakPolarHBondContact OG1-CB 3.47Å; T159-Y171 WeakPolarHBondContact OG1-CD2 3.08Å
160	E	81.8	Confident	79	Confident	69 Å²	69	65.9 Å²	65.9	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143.6	174.8	-175.1	-178.5	92.5	0	0	110	A135 E164	A135-E160 HydrophobicContact CB-CB 3.35Å; A135-E160 HydrophobicContact CB-CG 3.94Å; A135-E160 VanDerWaalsContact CB-OE2 3.23Å; A135-E160 WeakPolarHBondContact CB-OE2 3.41Å; E160-E164 WeakPolarHBondContact CA-O 3.41Å
161	K	78.1	Confident	79.2	Confident	18 Å²	18	68 Å²	68	8%	0.078	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	133.4	169.3	38.6	-102	-98.4	-116.5	0	107.9	G163 E164 Y166 Y171 F175	K161-G163 PolarHBondContact O-N 2.98Å; K161-G163 VanDerWaalsContact O-N 3.12Å; K161-E164 PolarHBondContact N-O 3.37Å; K161-E164 PolarHBondContact O-N 3.07Å; K161-E164 VanDerWaalsContact O-O 3.06Å; K161-Y166 HydrophobicContact CD-CD2 3.26Å; K161-Y166 HydrophobicContact CD-CE2 3.73Å; K161-Y166 HydrophobicContact CD-CG 3.86Å; K161-Y166 HydrophobicContact CG-CD2 3.32Å; K161-Y166 HydrophobicContact CG-CE2 3.21Å; K161-Y166 HydrophobicContact CG-CG 4.29Å; K161-Y171 HydrophobicContact CD-CD2 3.3Å; K161-Y171 HydrophobicContact CD-CE2 3.39Å; K161-Y171 HydrophobicContact CD-CG 4.47Å; K161-F175 HydrophobicContact CG-CZ 4.49Å
162	D	74.7	Confident	79.2	Confident	161 Å²	161	63.9 Å²	63.9	86%	0.861	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.7	175.3	-54.2	-65	0	0	0	113.8	E164	D162-E164 VanDerWaalsContact C-N 3.27Å; D162-E164 PolarHBondContact O-N 3.08Å
163	G	74.4	Confident	79.1	Confident	38 Å²	38	67.7 Å²	67.7	39%	0.392	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	7	-178.6	0	0	0	0	0	115.1	K161	K161-G163 PolarHBondContact O-N 2.98Å; K161-G163 VanDerWaalsContact O-N 3.12Å
164	E	80.3	Confident	79.2	Confident	74 Å²	74	70.7 Å²	70.7	35%	0.346	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.4	-175.7	-163.9	96	90.9	0	0	111	R121 A147 E160 K161 D162 Y166	R121-E164 IonicContact CZ-OE2 3.57Å; R121-E164 IonicContact NE-OE2 3.53Å; R121-E164 IonicContact NH2-OE2 2.77Å; R121-E164 PolarHBondContact NH2-OE2 3.07Å; A147-E164 HydrophobicContact CB-CG 3.48Å; A147-E164 VanDerWaalsContact CB-CG 3.48Å; E160-E164 WeakPolarHBondContact CA-O 3.41Å; K161-E164 PolarHBondContact N-O 3.37Å; K161-E164 PolarHBondContact O-N 3.07Å; K161-E164 VanDerWaalsContact O-O 3.06Å; D162-E164 VanDerWaalsContact C-N 3.27Å; D162-E164 PolarHBondContact O-N 3.08Å; E164-Y166 HydrophobicContact CB-CE2 3.78Å; E164-Y166 HydrophobicContact CG-CE2 3.89Å; E164-Y166 VanDerWaalsContact O-CD2 3.31Å; E164-Y166 WeakPolarHBondContact O-CD2 3.41Å; E164-Y166 WeakPolarHBondContact O-CE2 3.35Å
165	I	86.1	Confident	79.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.7	-175.3	58.4	168.8	0	0	0	112.8	W139 F144 R145 C146 A147	W139-I165 HydrophobicContact CE3-CD1 4.19Å; W139-I165 HydrophobicContact CH2-CG1 4.28Å; W139-I165 HydrophobicContact CH2-CG2 4.01Å; W139-I165 HydrophobicContact CZ2-CG2 3.8Å; W139-I165 HydrophobicContact CZ3-CD1 4.1Å; W139-I165 HydrophobicContact CZ3-CG1 4.17Å; F144-I165 HydrophobicContact CB-CD1 4.41Å; F144-I165 HydrophobicContact CD1-CD1 4.41Å; F144-I165 HydrophobicContact CD2-CD1 3.44Å; F144-I165 VanDerWaalsContact CD2-CD1 3.44Å; F144-I165 HydrophobicContact CE2-CD1 3.57Å; F144-I165 HydrophobicContact CE2-CG2 4.11Å; F144-I165 HydrophobicContact CG-CD1 3.87Å; F144-I165 HydrophobicContact CZ-CD1 4.06Å; R145-I165 WeakPolarHBondContact O-CD1 2.99Å; R145-I165 VanDerWaalsContact O-CG1 3.31Å; R145-I165 WeakPolarHBondContact O-CG1 2.91Å; C146-I165 WeakPolarHBondContact CA-O 3.45Å; A147-I165 PolarHBondContact N-O 3.24Å
166	Y	86.3	Confident	80	Confident	29 Å²	29	65.2 Å²	65.2	11%	0.114	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.3	-177.4	-64	-106.8	0	0	0	112.2	A147 K148 T159 K161 E164 F175	A147-Y166 HydrophobicContact CB-CE1 4.41Å; K148-Y166 HydrophobicContact CD-CE1 4.32Å; K148-Y166 HydrophobicContact CG-CD1 3.75Å; K148-Y166 HydrophobicContact CG-CE1 3.55Å; T159-Y166 PolarHBondContact N-O 3.14Å; T159-Y166 PolarHBondContact O-N 3.02Å; T159-Y166 PolarHBondContact OG1-O 2.94Å; K161-Y166 HydrophobicContact CD-CD2 3.26Å; K161-Y166 HydrophobicContact CD-CE2 3.73Å; K161-Y166 HydrophobicContact CD-CG 3.86Å; K161-Y166 HydrophobicContact CG-CD2 3.32Å; K161-Y166 HydrophobicContact CG-CE2 3.21Å; K161-Y166 HydrophobicContact CG-CG 4.29Å; E164-Y166 HydrophobicContact CB-CE2 3.78Å; E164-Y166 HydrophobicContact CG-CE2 3.89Å; E164-Y166 VanDerWaalsContact O-CD2 3.31Å; E164-Y166 WeakPolarHBondContact O-CD2 3.41Å; E164-Y166 WeakPolarHBondContact O-CE2 3.35Å; Y166-F175 HydrophobicContact CD1-CE2 4.29Å; Y166-F175 AromaticContact CE1-CE2 3.98Å; Y166-F175 HydrophobicContact CE1-CE2 3.98Å; Y166-F175 HydrophobicContact CE1-CZ 4.39Å
167	C	87.8	Confident	80.4	Confident	15 Å²	15	66 Å²	66	10%	0.101	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145.3	171.2	92.5	0	0	0	0	110.1	C146 L153 A169 C170 Y171	C146-C167 HydrophobicContact CB-CB 4Å; C146-C167 PolarHBondContact SG-N 2.84Å; L153-C167 HydrophobicContact CD2-CB 3.57Å; C167-A169 PolarHBondContact O-N 3.19Å; C167-C170 HydrophobicContact CB-CB 4.12Å; C167-C170 WeakPolarHBondContact CB-SG 3.31Å; C167-C170 CarbonylContact O-C 3.58Å; C167-C170 WeakPolarHBondContact O-CA 3.23Å; C167-C170 WeakPolarHBondContact O-CB 3.47Å; C167-C170 PolarHBondContact O-N 2.8Å; C167-C170 WeakPolarHBondContact SG-CB 3.37Å; C167-C170 PolarHBondContact SG-N 3.39Å; C167-C170 CovalentContact SG-SG 2.08Å; C167-C170 PolarHBondContact SG-SG 2.84Å; C167-Y171 WeakPolarHBondContact O-CB 3.43Å; C167-Y171 PolarHBondContact O-N 2.87Å
168	K	82.9	Confident	80	Confident	129 Å²	129	72.2 Å²	72.2	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-50.1	-42.6	176.9	-78.1	179.2	-178	179.5	0	112.9	C170 Y171 A172	K168-C170 PolarHBondContact O-N 3.11Å; K168-Y171 PolarHBondContact O-N 3.03Å; K168-A172 WeakPolarHBondContact O-CB 3.28Å; K168-A172 PolarHBondContact O-N 3.21Å
169	A	84	Confident	79.1	Confident	58 Å²	58	74.1 Å²	74.1	48%	0.479	41%	0.414	S	S	.	.	H	α-helix	trans	-64.6	-39.1	177.3	0	0	0	0	0	112.9	C167 K173	C167-A169 PolarHBondContact O-N 3.19Å; A169-K173 WeakPolarHBondContact O-CB 3.38Å; A169-K173 WeakPolarHBondContact O-CG 3.46Å; A169-K173 PolarHBondContact O-N 3.06Å
170	C	84.6	Confident	78.1	Confident	17 Å²	17	81.4 Å²	81.4	12%	0.115	44%	0.443	C	S	.	.	H	α-helix	trans	-73.5	-36.9	-180	-48.6	0	0	0	0	110.7	C146 K148 C149 C167 K168 N174	C146-C170 PolarHBondContact SG-SG 2.75Å; K148-C170 HydrophobicContact CB-CB 4.37Å; C149-C170 PolarHBondContact SG-SG 3.5Å; C167-C170 HydrophobicContact CB-CB 4.12Å; C167-C170 WeakPolarHBondContact CB-SG 3.31Å; C167-C170 CarbonylContact O-C 3.58Å; C167-C170 WeakPolarHBondContact O-CA 3.23Å; C167-C170 WeakPolarHBondContact O-CB 3.47Å; C167-C170 PolarHBondContact O-N 2.8Å; C167-C170 WeakPolarHBondContact SG-CB 3.37Å; C167-C170 PolarHBondContact SG-N 3.39Å; C167-C170 CovalentContact SG-SG 2.08Å; C167-C170 PolarHBondContact SG-SG 2.84Å; K168-C170 PolarHBondContact O-N 3.11Å; C170-N174 VanDerWaalsContact O-CB 3.23Å; C170-N174 WeakPolarHBondContact O-CB 3.25Å; C170-N174 PolarHBondContact O-N 3.31Å; C170-N174 VanDerWaalsContact O-N 3.14Å
171	Y	86.6	Confident	76.8	Confident	91 Å²	91	81.2 Å²	81.2	36%	0.357	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-54.6	172.2	-172.1	-69.9	0	0	0	110.1	T159 K161 C167 K168 K173 N174 F175 G176	T159-Y171 HydrophobicContact CG2-CD2 4Å; T159-Y171 HydrophobicContact CG2-CE2 4.44Å; T159-Y171 HydrophobicContact CG2-CG 4.35Å; T159-Y171 WeakPolarHBondContact OG1-CB 3.47Å; T159-Y171 WeakPolarHBondContact OG1-CD2 3.08Å; K161-Y171 HydrophobicContact CD-CD2 3.3Å; K161-Y171 HydrophobicContact CD-CE2 3.39Å; K161-Y171 HydrophobicContact CD-CG 4.47Å; C167-Y171 WeakPolarHBondContact O-CB 3.43Å; C167-Y171 PolarHBondContact O-N 2.87Å; K168-Y171 PolarHBondContact O-N 3.03Å; Y171-K173 PolarHBondContact O-N 2.98Å; Y171-N174 PolarHBondContact O-N 2.96Å; Y171-F175 HydrophobicContact CD1-CB 4.32Å; Y171-F175 HydrophobicContact CE1-CB 4.16Å; Y171-F175 CarbonylContact O-C 3.53Å; Y171-F175 WeakPolarHBondContact O-CA 3.4Å; Y171-F175 WeakPolarHBondContact O-CB 3.37Å; Y171-F175 PolarHBondContact O-N 3.33Å; Y171-G176 PolarHBondContact O-N 2.66Å
172	A	84.3	Confident	75.5	Confident	60 Å²	60	91 Å²	91	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-41.6	-179.7	0	0	0	0	0	112.7	K168 N174 G176	K168-A172 WeakPolarHBondContact O-CB 3.28Å; K168-A172 PolarHBondContact O-N 3.21Å; A172-N174 PolarHBondContact O-N 3Å; A172-G176 WeakPolarHBondContact O-CA 3.36Å; A172-G176 PolarHBondContact O-N 3.03Å
173	K	82.2	Confident	74.3	Confident	173 Å²	173	86.9 Å²	86.9	75%	0.752	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-38.3	178.6	-75.1	176	-178	-172.2	0	113.6	A169 Y171	A169-K173 WeakPolarHBondContact O-CB 3.38Å; A169-K173 WeakPolarHBondContact O-CG 3.46Å; A169-K173 PolarHBondContact O-N 3.06Å; Y171-K173 PolarHBondContact O-N 2.98Å
174	N	80.6	Confident	73.3	Confident	84 Å²	84	95 Å²	95	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-103.3	-20.9	-168.8	-153.7	113.4	0	0	0	113.2	C170 Y171 A172	C170-N174 VanDerWaalsContact O-CB 3.23Å; C170-N174 WeakPolarHBondContact O-CB 3.25Å; C170-N174 PolarHBondContact O-N 3.31Å; C170-N174 VanDerWaalsContact O-N 3.14Å; Y171-N174 PolarHBondContact O-N 2.96Å; A172-N174 PolarHBondContact O-N 3Å
175	F	80.6	Confident	71.6	Confident	86 Å²	86	95.1 Å²	95.1	38%	0.377	54%	0.542	S	S	.	.	H	α-helix	trans	-136.9	-1.1	-175.3	-54.8	-95.7	0	0	0	112.9	K161 Y166 Y171	K161-F175 HydrophobicContact CG-CZ 4.49Å; Y166-F175 HydrophobicContact CD1-CE2 4.29Å; Y166-F175 AromaticContact CE1-CE2 3.98Å; Y166-F175 HydrophobicContact CE1-CE2 3.98Å; Y166-F175 HydrophobicContact CE1-CZ 4.39Å; Y171-F175 HydrophobicContact CD1-CB 4.32Å; Y171-F175 HydrophobicContact CE1-CB 4.16Å; Y171-F175 CarbonylContact O-C 3.53Å; Y171-F175 WeakPolarHBondContact O-CA 3.4Å; Y171-F175 WeakPolarHBondContact O-CB 3.37Å; Y171-F175 PolarHBondContact O-N 3.33Å
176	G	76.8	Confident	70.2	Confident	21 Å²	21	100.6 Å²	100.6	22%	0.216	59%	0.587	C	S	.	*	S	Bend	trans	-69	158.5	169.6	0	0	0	0	0	110.7	Y171 A172 K178	Y171-G176 PolarHBondContact O-N 2.66Å; A172-G176 WeakPolarHBondContact O-CA 3.36Å; A172-G176 PolarHBondContact O-N 3.03Å; G176-K178 PolarHBondContact O-N 3.37Å
177	P	73.6	Confident	68.3	Low	136 Å²	136	102.8 Å²	102.8	88%	0.883	62%	0.619	S	S	*	*			trans	-57.3	114.1	175.4	24.4	-32.6	0	0	0	108.7	G179	P177-G179 PolarHBondContact O-N 3.18Å
178	K	60.8	Low	66.9	Low	188 Å²	188	106.5 Å²	106.5	82%	0.817	65%	0.651	S	S	*	*			trans	-72.3	78.5	168.6	-77	177.5	177.3	170.1	0	107.3	G176 F180	G176-K178 PolarHBondContact O-N 3.37Å; K178-F180 PolarHBondContact O-N 2.94Å; K178-F180 VanDerWaalsContact O-N 3.1Å
179	G	55.2	Low	65.4	Low	73 Å²	73	108.3 Å²	108.3	75%	0.753	67%	0.666	S	S	*	*			trans	-67.1	104	170.5	0	0	0	0	0	108.6	P177 G181	P177-G179 PolarHBondContact O-N 3.18Å; G179-G181 PolarHBondContact O-N 2.96Å
180	F	58	Low	63.9	Low	190 Å²	190	112.1 Å²	112.1	83%	0.833	68%	0.683	S	S	*	*			trans	-59.5	122.9	164.3	-128.6	-96.8	0	0	0	107.5	K178 Y182	K178-F180 PolarHBondContact O-N 2.94Å; K178-F180 VanDerWaalsContact O-N 3.1Å; F180-Y182 PolarHBondContact O-N 2.62Å
181	G	55.3	Low	62	Low	65 Å²	65	120.3 Å²	120.3	67%	0.67	72%	0.719	S	S	*	*			trans	-60.5	134	179.5	0	0	0	0	0	111.5	G179	G179-G181 PolarHBondContact O-N 2.96Å
182	Y	51	Low	60.1	Low	222 Å²	222	120.5 Å²	120.5	87%	0.871	74%	0.739	S	S	*	*			trans	-142.4	131.7	153.4	-83.8	-82.1	0	0	0	107.9	F180	F180-Y182 PolarHBondContact O-N 2.62Å
183	G	48.5	Very low	58.6	Low	75 Å²	75	130.5 Å²	130.5	77%	0.773	78%	0.776	S	S	*	*			trans	154.2	59.5	172.7	0	0	0	0	0	115
184	Q	54.5	Low	57.4	Low	209 Å²	209	128.4 Å²	128.4	98%	0.977	78%	0.777	S	S	*	*			trans	-52.4	134.8	149.7	-113	165.6	-18.9	0	0	108.7
185	G	43.9	Very low	56.2	Low	77 Å²	77	130.7 Å²	130.7	79%	0.794	79%	0.794	S	S	*	*			trans	179.7	79.2	174	0	0	0	0	0	113.2
186	A	57.8	Low	54.8	Low	114 Å²	114	133.2 Å²	133.2	94%	0.942	82%	0.817	S	S	*	*			trans	-62.5	141.8	161.1	0	0	0	0	0	109.9
187	G	46.4	Very low	53.6	Low	75 Å²	75	139.8 Å²	139.8	77%	0.773	85%	0.852	S	S	*	*			trans	-171.3	67.4	175.8	0	0	0	0	0	110.9
188	A	57	Low	52.3	Low	94 Å²	94	140 Å²	140	78%	0.777	85%	0.85	S	S	*	*			trans	-63.6	132.9	158.6	0	0	0	0	0	108.1
189	L	52.5	Low	51.7	Low	167 Å²	167	136.8 Å²	136.8	87%	0.874	85%	0.853	S	S	*	*			trans	-155.2	115.3	139.7	-63.5	-176.3	0	0	0	108.2
190	V	51.2	Low	51.5	Low	138 Å²	138	141.4 Å²	141.4	84%	0.836	86%	0.86	S	S	*	*			trans	-64.9	142.9	163.5	-71.1	0	0	0	0	109.1
191	H	44.9	Very low	51	Low	189 Å²	189	137.6 Å²	137.6	88%	0.875	86%	0.862	S	S	*	*			trans	-115.3	112.3	162.8	-115.1	72.6	0	0	0	108.4
192	A	46.3	Very low	50.6	Low	95 Å²	95	143.7 Å²	143.7	79%	0.785	88%	0.878	S	S	*	*			trans	-100.5	123.1	164.2	0	0	0	0	0	107.3
193	Q	53.4	Low	50.6	Low	269 Å²	269	136.5 Å²	136.5	100%	1.257	88%	0.879	S	S	*	*				178.6	0	114	-165.4	154.9	52.1	0	0	109.1

Retrieved 193 of 193 residues in 126.8 ms (Link to these results)

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