X5DQX2_HUMAN Loading...

V-erb-b2 avian erythroblastic leukemia viral oncoprotein 2 isoform C

AlphaFold DB , UniProt , Accession X5DQX2, Species HUMAN (Homo sapiens, Human), Gene ERBB2, Length 147 aa.

						>X5DQX2_HUMAN|X5DQX2|ERBB2
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
					

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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	54.3	Low	53.9	Low	236 Å²	236	131.5 Å²	131.5	100%	1.163	69%	0.688	S	S	*	*				0	14.3	0	-75.4	-178.9	-83.7	0	0	113.4
2	E	56.6	Low	54	Low	171 Å²	171	131.1 Å²	131.1	80%	0.799	69%	0.686	S	S	*	*			trans	-105.1	-14.4	-173.3	-73.3	-163.7	101.6	0	0	116.5	A4	E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.3Å
3	L	49.8	Very low	54.1	Low	150 Å²	150	131.8 Å²	131.8	79%	0.785	69%	0.689	S	S	*	*	H	α-helix	trans	-74.3	-21.1	-179.8	-68	167	0	0	0	113.5	A5	L3-A5 VanDerWaalsContact C-N 3.33Å
4	A	53.3	Low	54.4	Low	58 Å²	58	128.3 Å²	128.3	48%	0.479	69%	0.689	S	S	.	*	H	α-helix	trans	-80.4	-12.4	-178.7	0	0	0	0	0	113.7	E2 R8	E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.3Å; A4-R8 WeakPolarHBondContact O-CG 3.17Å; A4-R8 PolarHBondContact O-NE 2.98Å
5	A	53.1	Low	54.8	Low	53 Å²	53	129.2 Å²	129.2	44%	0.438	69%	0.693	S	S	.	*	H	α-helix	trans	-81.9	-41.1	178	0	0	0	0	0	111.2	L3 C7 R8	L3-A5 VanDerWaalsContact C-N 3.33Å; A5-C7 PolarHBondContact O-N 3.35Å; A5-R8 PolarHBondContact O-N 3.4Å
6	L	54	Low	55.1	Low	133 Å²	133	129.4 Å²	129.4	70%	0.696	69%	0.693	S	S	*	*	H	α-helix	trans	-65.7	-38.1	-177.5	-69.7	162.6	0	0	0	113.1	R8 W9 G10	L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 3.45Å; L6-W9 PolarHBondContact O-N 3.23Å; L6-G10 PolarHBondContact O-N 3.26Å
7	C	54	Low	55.8	Low	89 Å²	89	128.2 Å²	128.2	60%	0.601	69%	0.694	S	S	*	*	H	α-helix	trans	-65.7	-27.8	176.4	-82.1	0	0	0	0	113.8	A5 L11	A5-C7 PolarHBondContact O-N 3.35Å; C7-L11 WeakPolarHBondContact O-CD1 3.33Å; C7-L11 PolarHBondContact O-N 3.41Å
8	R	53.1	Low	56	Low	180 Å²	180	128.3 Å²	128.3	68%	0.679	70%	0.702	S	S	*	*	H	α-helix	trans	-74.8	-30.9	-179	-67.6	178.2	-161	-111.4	3.7	112.1	A4 A5 L6 L12	A4-R8 WeakPolarHBondContact O-CG 3.17Å; A4-R8 PolarHBondContact O-NE 2.98Å; A5-R8 PolarHBondContact O-N 3.4Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 3.45Å; R8-L12 WeakPolarHBondContact O-CD1 3.2Å
9	W	53.1	Low	56.2	Low	199 Å²	199	125.1 Å²	125.1	75%	0.754	70%	0.701	S	S	*	*	H	α-helix	trans	-81.5	-33.9	177.8	-68.3	59	0	0	0	111.4	L6 L11 L12 L13	L6-W9 PolarHBondContact O-N 3.23Å; W9-L11 VanDerWaalsContact C-N 3.34Å; W9-L11 PolarHBondContact O-N 3.08Å; W9-L12 PolarHBondContact O-N 2.82Å; W9-L13 PolarHBondContact O-N 3.23Å
10	G	55.1	Low	56.5	Low	48 Å²	48	124 Å²	124	50%	0.495	71%	0.709	S	S	.	*	H	α-helix	trans	-63.2	-35.2	172.4	0	0	0	0	0	113.7	L6	L6-G10 PolarHBondContact O-N 3.26Å
11	L	56.2	Low	57.1	Low	129 Å²	129	122.4 Å²	122.4	68%	0.675	71%	0.711	S	S	*	*	H	α-helix	trans	-72.5	-25.3	174.8	-104.4	83.6	0	0	0	113.7	C7 W9	C7-L11 WeakPolarHBondContact O-CD1 3.33Å; C7-L11 PolarHBondContact O-N 3.41Å; W9-L11 VanDerWaalsContact C-N 3.34Å; W9-L11 PolarHBondContact O-N 3.08Å
12	L	55.2	Low	58.3	Low	127 Å²	127	115.6 Å²	115.6	67%	0.665	69%	0.687	S	S	*	*	H	α-helix	trans	-77.1	-29.3	-179.6	-105.9	134.7	0	0	0	112.7	R8 W9 A14	R8-L12 WeakPolarHBondContact O-CD1 3.2Å; W9-L12 PolarHBondContact O-N 2.82Å; L12-A14 VanDerWaalsContact C-N 3.33Å
13	L	55.7	Low	59.9	Low	140 Å²	140	111 Å²	111	73%	0.733	67%	0.671	S	S	*	*	H	α-helix	trans	-74.3	-21.2	172.3	-92.8	119.5	0	0	0	113.6	W9 L15	W9-L13 PolarHBondContact O-N 3.23Å; L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 PolarHBondContact O-N 2.73Å
14	A	57.8	Low	62.1	Low	83 Å²	83	108.7 Å²	108.7	69%	0.686	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-7.5	178.7	0	0	0	0	0	113.9	L12	L12-A14 VanDerWaalsContact C-N 3.33Å
15	L	59.9	Low	64.2	Low	142 Å²	142	109.5 Å²	109.5	74%	0.743	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	2.1	177.4	-71.1	167.8	0	0	0	113.1	L13 P17	L13-L15 VanDerWaalsContact C-N 3.26Å; L13-L15 PolarHBondContact O-N 2.73Å; L15-P17 VanDerWaalsContact O-CD 3.3Å; L15-P17 WeakPolarHBondContact O-CD 3.38Å
16	L	61.1	Low	66.4	Low	132 Å²	132	107.8 Å²	107.8	69%	0.691	64%	0.639	S	S	*	*	S	Bend	trans	-69.4	119	171.7	-114.2	80.9	0	0	0	108.6
17	P	66.6	Low	68.5	Low	110 Å²	110	105.9 Å²	105.9	71%	0.714	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.3	134.9	173.2	22.8	-30.8	0	0	0	109	L15 G19	L15-P17 VanDerWaalsContact O-CD 3.3Å; L15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-G19 PolarHBondContact O-N 2.62Å; P17-G19 VanDerWaalsContact O-N 3.1Å
18	P	59.4	Low	70.6	Confident	129 Å²	129	102.4 Å²	102.4	84%	0.838	61%	0.612	S	S	*	*	S	Bend	trans	-62	118.3	178.4	22.3	-29.3	0	0	0	109.6
19	G	58.5	Low	72.8	Confident	67 Å²	67	94.7 Å²	94.7	69%	0.691	59%	0.585	S	S	*	*			trans	65.5	120.4	153.1	0	0	0	0	0	116.6	P17 A21	P17-G19 PolarHBondContact O-N 2.62Å; P17-G19 VanDerWaalsContact O-N 3.1Å; G19-A21 PolarHBondContact O-N 3.47Å; G19-A21 VanDerWaalsContact O-N 3.11Å
20	A	62.7	Low	74.9	Confident	103 Å²	103	89.7 Å²	89.7	85%	0.851	57%	0.573	S	S	*	*			trans	-46.5	123.2	151.9	0	0	0	0	0	108.1	S22	A20-S22 PolarHBondContact O-N 3.05Å
21	A	68.7	Low	76.9	Confident	91 Å²	91	88.7 Å²	88.7	75%	0.752	56%	0.556	S	S	*	*			trans	-53.2	113.6	177.8	0	0	0	0	0	108.1	G19 T23	G19-A21 PolarHBondContact O-N 3.47Å; G19-A21 VanDerWaalsContact O-N 3.11Å; A21-T23 PolarHBondContact O-N 3.03Å
22	S	81.1	Confident	78.8	Confident	94 Å²	94	85.4 Å²	85.4	66%	0.657	54%	0.536	S	S	*	.			trans	-62.5	113.7	-178.8	-175	0	0	0	0	108.3	A20 Q24	A20-S22 PolarHBondContact O-N 3.05Å; S22-Q24 PolarHBondContact O-N 3.34Å; S22-Q24 PolarHBondContact O-NE2 3.43Å
23	T	88.7	Confident	80.8	Confident	75 Å²	75	82 Å²	82	46%	0.46	52%	0.518	S	S	.	.			trans	-59.3	124.3	178.4	-56	0	0	0	0	109.3	A21 V25 Q54 V55	A21-T23 PolarHBondContact O-N 3.03Å; T23-V25 PolarHBondContact O-N 3.06Å; T23-Q54 HydrophobicContact CG2-CB 4.04Å; T23-V55 HydrophobicContact CG2-CB 4.3Å; T23-V55 HydrophobicContact CG2-CG2 3.34Å
24	Q	96.4	Very high	82.7	Confident	101 Å²	101	82.8 Å²	82.8	47%	0.472	51%	0.511	S	S	.	.			trans	-80.1	121.8	179	-61.9	-56.7	-67.4	0	0	109.4	S22 G52 Q54 V55	S22-Q24 PolarHBondContact O-N 3.34Å; S22-Q24 PolarHBondContact O-NE2 3.43Å; Q24-G52 WeakPolarHBondContact CB-O 3.4Å; Q24-Q54 HydrophobicContact CB-CG 4.31Å; Q24-Q54 WeakPolarHBondContact O-CA 3.43Å; Q24-Q54 WeakPolarHBondContact O-CB 3.2Å; Q24-Q54 PolarHBondContact O-N 2.96Å; Q24-V55 PolarHBondContact O-N 2.95Å
25	V	98	Very high	84.5	Confident	75 Å²	75	85.4 Å²	85.4	46%	0.455	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.9	-176	-174	0	0	0	0	109.2	T23 V55 Q57	T23-V25 PolarHBondContact O-N 3.06Å; V25-V55 WeakPolarHBondContact CA-O 3.39Å; V25-V55 HydrophobicContact CG2-CB 4.28Å; V25-Q57 HydrophobicContact CG1-CG 3.55Å
26	C	98.5	Very high	86.1	Confident	16 Å²	16	79.5 Å²	79.5	11%	0.108	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.6	174	60.6	0	0	0	0	110.4	L49 Y50 C53 V55 Q57	C26-L49 WeakPolarHBondContact CB-O 3.36Å; C26-Y50 VanDerWaalsContact SG-CD1 3.57Å; C26-C53 HydrophobicContact CB-CB 3.71Å; C26-C53 WeakPolarHBondContact CB-SG 3.28Å; C26-C53 PolarHBondContact N-SG 2.96Å; C26-C53 WeakPolarHBondContact SG-CB 3.49Å; C26-C53 CovalentContact SG-SG 2.03Å; C26-C53 PolarHBondContact SG-SG 3.11Å; C26-V55 PolarHBondContact N-O 3.11Å; C26-Q57 PolarHBondContact O-N 3Å
27	T	98.5	Very high	87.7	Confident	94 Å²	94	78.2 Å²	78.2	58%	0.577	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	130.7	171.2	-54	0	0	0	0	109.2
28	G	98.4	Very high	89.1	Confident	15 Å²	15	75.7 Å²	75.7	16%	0.155	48%	0.477	C	S	.	.			trans	-77.3	-167.1	173.2	0	0	0	0	0	112.8	Q57 N59	G28-Q57 PolarHBondContact N-O 3.48Å; G28-N59 CarbonylContact C-O 3.22Å; G28-N59 WeakPolarHBondContact CA-O 3.4Å
29	T	98.5	Very high	90.7	Very high	18 Å²	18	73.7 Å²	73.7	11%	0.11	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-118.4	168.7	-174.9	58.1	0	0	0	0	112.5	L49 N59 E61	T29-L49 HydrophobicContact CG2-CD1 3.74Å; T29-N59 PolarHBondContact N-O 2.81Å; T29-N59 WeakPolarHBondContact O-CB 3.43Å; T29-N59 PolarHBondContact O-ND2 2.87Å; T29-E61 WeakPolarHBondContact CB-OE2 3.46Å; T29-E61 WeakPolarHBondContact OG1-CB 3.48Å; T29-E61 WeakPolarHBondContact OG1-CG 3.44Å; T29-E61 PolarHBondContact OG1-OE2 2.82Å
30	D	98.1	Very high	92.4	Very high	94 Å²	94	77.9 Å²	77.9	50%	0.503	47%	0.465	S	S	.	.			trans	-138.5	48	172.1	-167.2	5.7	0	0	0	110.2	K32 R34 E61	D30-K32 IonicContact OD1-NZ 2.62Å; D30-K32 PolarHBondContact OD1-NZ 2.94Å; D30-R34 PolarHBondContact O-NH2 3.43Å; D30-E61 PolarHBondContact N-OE2 2.87Å
31	M	96.9	Very high	94	Very high	27 Å²	27	76.9 Å²	76.9	13%	0.133	45%	0.449	C	S	.	.			trans	-81.8	-28.9	177.1	-67.2	176.7	25.2	0	0	112.2	L33 R34 H42 M45 E61	M31-L33 PolarHBondContact O-N 2.73Å; M31-R34 VanDerWaalsContact O-CB 3.26Å; M31-R34 WeakPolarHBondContact O-CB 3.39Å; M31-R34 WeakPolarHBondContact O-CG 3.33Å; M31-R34 PolarHBondContact O-N 2.94Å; M31-R34 PolarHBondContact O-NE 2.67Å; M31-H42 VanDerWaalsContact CE-CE1 3.47Å; M31-H42 WeakPolarHBondContact CE-CE1 3.41Å; M31-M45 HydrophobicContact SD-CE 3.95Å; M31-E61 WeakPolarHBondContact CA-OE2 3.47Å; M31-E61 VanDerWaalsContact CB-OE2 3.32Å; M31-E61 WeakPolarHBondContact CB-OE2 3.3Å; M31-E61 PolarHBondContact N-OE2 2.88Å
32	K	96.8	Very high	95.4	Very high	60 Å²	60	73.1 Å²	73.1	26%	0.261	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	-133	-173.6	-56.5	-76.9	-171.1	-75.6	0	109.5	D30 E61 Y83 F108	D30-K32 IonicContact OD1-NZ 2.62Å; D30-K32 PolarHBondContact OD1-NZ 2.94Å; K32-E61 PolarHBondContact N-OE1 3.46Å; K32-E61 PolarHBondContact N-OE2 2.75Å; K32-Y83 VanDerWaalsContact CD-OH 3.29Å; K32-Y83 WeakPolarHBondContact CD-OH 3.36Å; K32-Y83 WeakPolarHBondContact CE-OH 3.29Å; K32-Y83 PolarHBondContact NZ-OH 2.81Å; K32-F108 HydrophobicContact CB-CE2 4.25Å; K32-F108 HydrophobicContact CD-CD2 3.51Å; K32-F108 HydrophobicContact CD-CE2 3.79Å
33	L	96	Very high	96.2	Very high	55 Å²	55	70.1 Å²	70.1	29%	0.288	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	19.7	174.6	-58.4	177.6	0	0	0	113.2	M31 L35 Y64 L85 A87 F108	M31-L33 PolarHBondContact O-N 2.73Å; L33-L35 PolarHBondContact O-N 3.45Å; L33-Y64 PolarHBondContact O-OH 3.18Å; L33-L85 HydrophobicContact CD2-CD1 4.27Å; L33-L85 HydrophobicContact CD2-CD2 4.24Å; L33-A87 HydrophobicContact CD2-CB 3.62Å; L33-F108 HydrophobicContact CD1-CZ 3.88Å; L33-F108 HydrophobicContact CD2-CZ 4.47Å; L33-F108 HydrophobicContact CG-CE2 4.34Å; L33-F108 HydrophobicContact CG-CZ 3.88Å
34	R	96.3	Very high	96.7	Very high	158 Å²	158	71.1 Å²	71.1	60%	0.596	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-71.3	132.7	176.4	-65.6	-177.3	-69.6	127.8	-8.9	109.9	D30 M31	D30-R34 PolarHBondContact O-NH2 3.43Å; M31-R34 VanDerWaalsContact O-CB 3.26Å; M31-R34 WeakPolarHBondContact O-CB 3.39Å; M31-R34 WeakPolarHBondContact O-CG 3.33Å; M31-R34 PolarHBondContact O-N 2.94Å; M31-R34 PolarHBondContact O-NE 2.67Å
35	L	94.9	Very high	96.8	Very high	137 Å²	137	69.6 Å²	69.6	72%	0.717	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-56.8	135.1	174.6	-80.1	131.2	0	0	0	110.8	L33 A37 Y64	L33-L35 PolarHBondContact O-N 3.45Å; L35-A37 PolarHBondContact O-N 3.24Å; L35-Y64 HydrophobicContact CD2-CD1 4.49Å; L35-Y64 HydrophobicContact CD2-CE1 4.19Å; L35-Y64 HydrophobicContact CG-CE1 4.39Å
36	P	95.1	Very high	96.8	Very high	18 Å²	18	66 Å²	66	12%	0.117	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-58.2	132.3	172.6	-23.6	33.2	0	0	0	110.6	S38 H42 Y64	P36-S38 PolarHBondContact O-N 3.47Å; P36-H42 HydrophobicContact CB-CB 3.96Å; P36-H42 HydrophobicContact CG-CB 4.25Å; P36-Y64 VanDerWaalsContact CD-CD2 3.49Å; P36-Y64 HydrophobicContact CG-CD2 4.13Å; P36-Y64 HydrophobicContact CG-CG 4.43Å
37	A	93.9	Very high	96.8	Very high	105 Å²	105	68.4 Å²	68.4	87%	0.868	37%	0.373	S	S	*	.	S	Bend	trans	-62.7	-25.4	178.2	0	0	0	0	0	112.9	L35	L35-A37 PolarHBondContact O-N 3.24Å
38	S	95.1	Very high	96.8	Very high	58 Å²	58	71.6 Å²	71.6	41%	0.406	38%	0.381	S	S	.	.			trans	-140.4	89.8	177.2	-56.5	0	0	0	0	108.7	P36 E40 T41 H42	P36-S38 PolarHBondContact O-N 3.47Å; S38-E40 PolarHBondContact O-N 3.26Å; S38-E40 VanDerWaalsContact O-N 3.17Å; S38-T41 WeakPolarHBondContact CB-OG1 3.44Å; S38-T41 PolarHBondContact O-N 3.21Å; S38-T41 PolarHBondContact O-OG1 2.88Å; S38-H42 PolarHBondContact O-N 2.98Å
39	P	93.8	Very high	96.8	Very high	86 Å²	86	73.6 Å²	73.6	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-53.8	-32	179.9	-27.5	36.3	0	0	0	113.3	T41 H42	P39-T41 VanDerWaalsContact C-N 3.33Å; P39-T41 PolarHBondContact O-N 3.44Å; P39-H42 PolarHBondContact O-N 3.24Å
40	E	94	Very high	96.8	Very high	155 Å²	155	72.7 Å²	72.7	72%	0.724	38%	0.383	S	S	*	.	H	α-helix	trans	-67	-33.4	-176.5	-56.2	70.8	-150.3	0	0	112.3	S38	S38-E40 PolarHBondContact O-N 3.26Å; S38-E40 VanDerWaalsContact O-N 3.17Å
41	T	96.7	Very high	96.8	Very high	82 Å²	82	75 Å²	75	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-103	-2.4	-178.4	59.2	0	0	0	0	112.8	S38 P39 L43 D44 M45	S38-T41 WeakPolarHBondContact CB-OG1 3.44Å; S38-T41 PolarHBondContact O-N 3.21Å; S38-T41 PolarHBondContact O-OG1 2.88Å; P39-T41 VanDerWaalsContact C-N 3.33Å; P39-T41 PolarHBondContact O-N 3.44Å; T41-L43 PolarHBondContact O-N 2.68Å; T41-D44 PolarHBondContact O-N 2.97Å; T41-M45 PolarHBondContact O-N 2.5Å
42	H	97.8	Very high	96.8	Very high	12 Å²	12	75.1 Å²	75.1	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-62.4	-46.2	-171.9	-177	48.1	0	0	0	112.6	M31 P36 S38 P39 D44 M45 L46 T63	M31-H42 VanDerWaalsContact CE-CE1 3.47Å; M31-H42 WeakPolarHBondContact CE-CE1 3.41Å; P36-H42 HydrophobicContact CB-CB 3.96Å; P36-H42 HydrophobicContact CG-CB 4.25Å; S38-H42 PolarHBondContact O-N 2.98Å; P39-H42 PolarHBondContact O-N 3.24Å; H42-D44 VanDerWaalsContact C-N 3.32Å; H42-D44 PolarHBondContact O-N 2.77Å; H42-M45 WeakPolarHBondContact O-CB 3.44Å; H42-M45 PolarHBondContact O-N 3.34Å; H42-L46 WeakPolarHBondContact O-CG 3.06Å; H42-L46 PolarHBondContact O-N 2.98Å; H42-L46 VanDerWaalsContact O-N 3.11Å; H42-T63 PolarHBondContact CD2-O 3.38Å; H42-T63 PolarHBondContact NE2-O 2.82Å; H42-T63 VanDerWaalsContact NE2-O 3.16Å
43	L	98.3	Very high	96.9	Very high	32 Å²	32	72.4 Å²	72.4	17%	0.168	39%	0.387	C	S	.	.	H	α-helix	trans	-62.6	-38.8	178	177.4	61.6	0	0	0	112.4	T41 L46 R47 L65 A69 L71 F73	T41-L43 PolarHBondContact O-N 2.68Å; L43-L46 PolarHBondContact O-N 3.01Å; L43-R47 PolarHBondContact O-N 3.03Å; L43-L65 HydrophobicContact CD1-CD2 4.18Å; L43-A69 HydrophobicContact CD1-CB 3.99Å; L43-A69 HydrophobicContact CD2-CB 3.78Å; L43-L71 HydrophobicContact CD1-CD2 3.8Å; L43-F73 HydrophobicContact CD1-CE1 4.03Å; L43-F73 HydrophobicContact CD1-CZ 4.15Å
44	D	98.3	Very high	97	Very high	95 Å²	95	72.2 Å²	72.2	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-69.6	-36.3	-179.6	-70.3	-16.6	0	0	0	111.5	T41 H42 R47 H48	T41-D44 PolarHBondContact O-N 2.97Å; H42-D44 VanDerWaalsContact C-N 3.32Å; H42-D44 PolarHBondContact O-N 2.77Å; D44-R47 PolarHBondContact O-N 3.39Å; D44-R47 IonicContact OD1-CZ 3.57Å; D44-R47 IonicContact OD1-NH1 3.91Å; D44-R47 PolarHBondContact OD1-NH1 2.85Å; D44-H48 WeakPolarHBondContact O-CB 3.36Å; D44-H48 PolarHBondContact O-N 3.05Å
45	M	98.2	Very high	97.1	Very high	69 Å²	69	65.6 Å²	65.6	34%	0.34	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-49.3	171.2	-179.5	-81.8	-70.5	0	0	111.3	M31 T41 H42 R47 H48 L49	M31-M45 HydrophobicContact SD-CE 3.95Å; T41-M45 PolarHBondContact O-N 2.5Å; H42-M45 WeakPolarHBondContact O-CB 3.44Å; H42-M45 PolarHBondContact O-N 3.34Å; M45-R47 VanDerWaalsContact C-N 3.32Å; M45-R47 PolarHBondContact O-N 3.4Å; M45-H48 PolarHBondContact O-N 2.66Å; M45-L49 PolarHBondContact O-N 2.03Å; M45-L49 HydrophobicContact SD-CD1 3.37Å; M45-L49 WeakPolarHBondContact SD-CD1 3.26Å; M45-L49 HydrophobicContact SD-CG 4.05Å
46	L	98.6	Very high	97.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-40.8	177.4	-65.8	172.8	0	0	0	112.1	H42 L43 H48 L49 Y50 L62 L65 F73	H42-L46 WeakPolarHBondContact O-CG 3.06Å; H42-L46 PolarHBondContact O-N 2.98Å; H42-L46 VanDerWaalsContact O-N 3.11Å; L43-L46 PolarHBondContact O-N 3.01Å; L46-H48 VanDerWaalsContact C-N 3.34Å; L46-H48 PolarHBondContact O-N 2.96Å; L46-L49 PolarHBondContact O-N 3.26Å; L46-Y50 HydrophobicContact CB-CD2 4.36Å; L46-Y50 HydrophobicContact CD2-CD2 4.44Å; L46-Y50 HydrophobicContact CD2-CE2 3.84Å; L46-Y50 WeakPolarHBondContact O-CD2 3.39Å; L46-Y50 PolarHBondContact O-N 3.22Å; L46-L62 HydrophobicContact CD1-CD2 4.44Å; L46-L65 HydrophobicContact CD1-CD2 3.61Å; L46-F73 HydrophobicContact CB-CE2 4.33Å; L46-F73 HydrophobicContact CB-CZ 4.19Å
47	R	98.6	Very high	97.5	Very high	66 Å²	66	62.8 Å²	62.8	25%	0.249	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-46	175.2	-175.9	177	-59.4	100.2	5.2	111	L43 D44 M45 L49 Y50 Q51 S70 F73	L43-R47 PolarHBondContact O-N 3.03Å; D44-R47 PolarHBondContact O-N 3.39Å; D44-R47 IonicContact OD1-CZ 3.57Å; D44-R47 IonicContact OD1-NH1 3.91Å; D44-R47 PolarHBondContact OD1-NH1 2.85Å; M45-R47 VanDerWaalsContact C-N 3.32Å; M45-R47 PolarHBondContact O-N 3.4Å; R47-L49 VanDerWaalsContact C-N 3.3Å; R47-L49 PolarHBondContact O-N 3.01Å; R47-Y50 PolarHBondContact O-N 3.01Å; R47-Q51 WeakPolarHBondContact O-CB 3.32Å; R47-Q51 PolarHBondContact O-N 2.82Å; R47-S70 PolarHBondContact NH2-O 3.01Å; R47-F73 HydrophobicContact CB-CD1 3.9Å; R47-F73 HydrophobicContact CB-CE1 3.87Å; R47-F73 HydrophobicContact CB-CG 4.24Å; R47-F73 HydrophobicContact CB-CZ 4.2Å; R47-F73 HydrophobicContact CG-CB 4.23Å; R47-F73 HydrophobicContact CG-CD1 3.76Å; R47-F73 HydrophobicContact CG-CE1 4.25Å; R47-F73 HydrophobicContact CG-CG 3.99Å
48	H	98.4	Very high	97.7	Very high	162 Å²	162	58.5 Å²	58.5	75%	0.75	31%	0.31	S	S	*	.	H	α-helix	trans	-61.9	-38.3	179.1	-171.7	69.2	0	0	0	112.4	D44 M45 L46	D44-H48 WeakPolarHBondContact O-CB 3.36Å; D44-H48 PolarHBondContact O-N 3.05Å; M45-H48 PolarHBondContact O-N 2.66Å; L46-H48 VanDerWaalsContact C-N 3.34Å; L46-H48 PolarHBondContact O-N 2.96Å
49	L	98.3	Very high	97.9	Very high	56 Å²	56	55.9 Å²	55.9	29%	0.293	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-44.3	177.1	-73.1	178.2	0	0	0	113	C26 T29 M45 L46 R47	C26-L49 WeakPolarHBondContact CB-O 3.36Å; T29-L49 HydrophobicContact CG2-CD1 3.74Å; M45-L49 PolarHBondContact O-N 2.03Å; M45-L49 HydrophobicContact SD-CD1 3.37Å; M45-L49 WeakPolarHBondContact SD-CD1 3.26Å; M45-L49 HydrophobicContact SD-CG 4.05Å; L46-L49 PolarHBondContact O-N 3.26Å; R47-L49 VanDerWaalsContact C-N 3.3Å; R47-L49 PolarHBondContact O-N 3.01Å
50	Y	98.8	Very high	98.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-105.8	-9.1	-164.6	-61.2	-56.4	0	0	0	114.7	C26 L46 R47 G52 C53 V56 N59 L60 F73 L74 I77	C26-Y50 VanDerWaalsContact SG-CD1 3.57Å; L46-Y50 HydrophobicContact CB-CD2 4.36Å; L46-Y50 HydrophobicContact CD2-CD2 4.44Å; L46-Y50 HydrophobicContact CD2-CE2 3.84Å; L46-Y50 WeakPolarHBondContact O-CD2 3.39Å; L46-Y50 PolarHBondContact O-N 3.22Å; R47-Y50 PolarHBondContact O-N 3.01Å; Y50-G52 PolarHBondContact O-N 3.31Å; Y50-G52 VanDerWaalsContact O-N 3.12Å; Y50-C53 WeakPolarHBondContact O-CB 3.34Å; Y50-C53 PolarHBondContact O-N 3.47Å; Y50-V56 HydrophobicContact CD1-CG2 4.2Å; Y50-V56 HydrophobicContact CE1-CG1 3.99Å; Y50-V56 HydrophobicContact CE1-CG2 4.04Å; Y50-N59 PolarHBondContact OH-O 3.04Å; Y50-L60 HydrophobicContact CD1-CD1 4.39Å; Y50-L60 HydrophobicContact CD2-CD1 4.29Å; Y50-L60 HydrophobicContact CE1-CD1 3.99Å; Y50-L60 HydrophobicContact CE2-CD1 3.85Å; Y50-F73 HydrophobicContact CD2-CE2 4.41Å; Y50-L74 HydrophobicContact CD2-CD2 4.06Å; Y50-L74 HydrophobicContact CG-CD2 4.12Å; Y50-I77 HydrophobicContact CD1-CD1 4.37Å; Y50-I77 HydrophobicContact CG-CD1 4.49Å
51	Q	98.3	Very high	98.3	Very high	141 Å²	141	44.4 Å²	44.4	66%	0.659	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	117.9	-179.3	179.6	169.6	3.5	0	0	111.9	R47 C53 F73	R47-Q51 WeakPolarHBondContact O-CB 3.32Å; R47-Q51 PolarHBondContact O-N 2.82Å; Q51-C53 PolarHBondContact O-N 3.25Å; Q51-F73 HydrophobicContact CB-CB 4.27Å
52	G	97.4	Very high	98.4	Very high	30 Å²	30	40.5 Å²	40.5	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	4.4	-177.6	0	0	0	0	0	114.3	Q24 Y50	Q24-G52 WeakPolarHBondContact CB-O 3.4Å; Y50-G52 PolarHBondContact O-N 3.31Å; Y50-G52 VanDerWaalsContact O-N 3.12Å
53	C	98.5	Very high	98.4	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.027	20%	0.203	C	C	.	.			trans	-73.3	136.5	179.2	-174.4	0	0	0	0	111.5	C26 Y50 Q51 V55 D76 I77	C26-C53 HydrophobicContact CB-CB 3.71Å; C26-C53 WeakPolarHBondContact CB-SG 3.28Å; C26-C53 PolarHBondContact N-SG 2.96Å; C26-C53 WeakPolarHBondContact SG-CB 3.49Å; C26-C53 CovalentContact SG-SG 2.03Å; C26-C53 PolarHBondContact SG-SG 3.11Å; Y50-C53 WeakPolarHBondContact O-CB 3.34Å; Y50-C53 PolarHBondContact O-N 3.47Å; Q51-C53 PolarHBondContact O-N 3.25Å; C53-V55 PolarHBondContact SG-O 3.1Å; C53-D76 CarbonylContact O-C 3.57Å; C53-D76 VanDerWaalsContact O-C 3.22Å; C53-I77 WeakPolarHBondContact O-CA 3.12Å; C53-I77 PolarHBondContact O-N 3.05Å
54	Q	98.5	Very high	98.2	Very high	50 Å²	50	41.7 Å²	41.7	23%	0.234	21%	0.209	C	C	.	.	S	Bend	trans	-110.5	-33.5	176.1	-63.9	179.3	-15.2	0	0	112	T23 Q24 Q78 E79	T23-Q54 HydrophobicContact CG2-CB 4.04Å; Q24-Q54 HydrophobicContact CB-CG 4.31Å; Q24-Q54 WeakPolarHBondContact O-CA 3.43Å; Q24-Q54 WeakPolarHBondContact O-CB 3.2Å; Q24-Q54 PolarHBondContact O-N 2.96Å; Q54-Q78 PolarHBondContact O-N 3.21Å; Q54-E79 PolarHBondContact O-N 3.12Å
55	V	98.6	Very high	98.1	Very high	20 Å²	20	37.3 Å²	37.3	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.8	178.9	-179.6	0	0	0	0	109.9	T23 Q24 V25 C26 C53 E79	T23-V55 HydrophobicContact CG2-CB 4.3Å; T23-V55 HydrophobicContact CG2-CG2 3.34Å; Q24-V55 PolarHBondContact O-N 2.95Å; V25-V55 WeakPolarHBondContact CA-O 3.39Å; V25-V55 HydrophobicContact CG2-CB 4.28Å; C26-V55 PolarHBondContact N-O 3.11Å; C53-V55 PolarHBondContact SG-O 3.1Å; V55-E79 WeakPolarHBondContact CA-O 3.4Å; V55-E79 HydrophobicContact CB-CB 4.5Å; V55-E79 HydrophobicContact CG1-CB 4.26Å; V55-E79 HydrophobicContact CG1-CG 4.32Å; V55-E79 HydrophobicContact CG2-CB 4.12Å
56	V	98.8	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.3	175	-176.3	0	0	0	0	109.2	Y50 G58 I77 E79 V80 Q81	Y50-V56 HydrophobicContact CD1-CG2 4.2Å; Y50-V56 HydrophobicContact CE1-CG1 3.99Å; Y50-V56 HydrophobicContact CE1-CG2 4.04Å; V56-G58 PolarHBondContact O-N 2.98Å; V56-I77 HydrophobicContact CG2-CD1 4.16Å; V56-I77 HydrophobicContact CG2-CG1 4.46Å; V56-I77 HydrophobicContact CG2-CG2 4.09Å; V56-E79 PolarHBondContact N-O 3.48Å; V56-V80 HydrophobicContact CB-CB 4.45Å; V56-V80 HydrophobicContact CB-CG1 4.34Å; V56-V80 HydrophobicContact CB-CG2 4.15Å; V56-V80 HydrophobicContact CG2-CG2 4.14Å; V56-Q81 PolarHBondContact O-N 3.13Å
57	Q	98.6	Very high	97.8	Very high	95 Å²	95	40.6 Å²	40.6	44%	0.444	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.8	167	-73.8	-176	1.1	0	0	109.5	V25 C26 G28	V25-Q57 HydrophobicContact CG1-CG 3.55Å; C26-Q57 PolarHBondContact O-N 3Å; G28-Q57 PolarHBondContact N-O 3.48Å
58	G	98.5	Very high	97.5	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	24%	0.235	C	C	.	.	S	Bend	trans	97.4	-147.5	-170.7	0	0	0	0	0	111.5	V56 V80 G82	V56-G58 PolarHBondContact O-N 2.98Å; G58-V80 WeakPolarHBondContact O-CG1 3.47Å; G58-G82 WeakPolarHBondContact O-CA 3.37Å; G58-G82 PolarHBondContact O-N 3.43Å
59	N	98.8	Very high	97.4	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-101.7	145.5	-168.6	-41.5	-58.3	0	0	0	111.4	G28 T29 Y50 E61 G82 Y83 Q106	G28-N59 CarbonylContact C-O 3.22Å; G28-N59 WeakPolarHBondContact CA-O 3.4Å; T29-N59 PolarHBondContact N-O 2.81Å; T29-N59 WeakPolarHBondContact O-CB 3.43Å; T29-N59 PolarHBondContact O-ND2 2.87Å; Y50-N59 PolarHBondContact OH-O 3.04Å; N59-E61 HydrophobicContact CB-CG 4Å; N59-G82 WeakPolarHBondContact OD1-CA 3.41Å; N59-Y83 WeakPolarHBondContact CA-O 3.48Å; N59-Y83 HydrophobicContact CB-CD1 4.21Å; N59-Y83 HydrophobicContact CB-CD2 4.15Å; N59-Y83 HydrophobicContact CB-CE1 3.88Å; N59-Y83 HydrophobicContact CB-CE2 3.77Å; N59-Y83 HydrophobicContact CB-CG 4.33Å; N59-Y83 VanDerWaalsContact CG-CZ 3.44Å; N59-Y83 WeakPolarHBondContact OD1-CD1 3.44Å; N59-Y83 WeakPolarHBondContact OD1-CE1 3.36Å; N59-Y83 PolarHBondContact OD1-N 2.88Å; N59-Q106 PolarHBondContact ND2-OE1 3.39Å; N59-Q106 PolarHBondContact OD1-OE1 2.94Å
60	L	98.8	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.4	167.8	175.6	62.5	0	0	0	107.9	Y50 L62 L74 I77 V80 Y83 V84 L85 L96	Y50-L60 HydrophobicContact CD1-CD1 4.39Å; Y50-L60 HydrophobicContact CD2-CD1 4.29Å; Y50-L60 HydrophobicContact CE1-CD1 3.99Å; Y50-L60 HydrophobicContact CE2-CD1 3.85Å; L60-L62 HydrophobicContact CD1-CD2 4.1Å; L60-L62 HydrophobicContact CD1-CG 4.23Å; L60-L62 HydrophobicContact CG-CG 4.38Å; L60-L74 HydrophobicContact CD1-CD2 4.4Å; L60-I77 HydrophobicContact CD1-CD1 4.17Å; L60-I77 HydrophobicContact CD2-CD1 4.23Å; L60-V80 HydrophobicContact CB-CG1 4.03Å; L60-V80 HydrophobicContact CB-CG2 3.84Å; L60-V80 HydrophobicContact CD2-CG2 4.1Å; L60-Y83 PolarHBondContact N-O 3.26Å; L60-V84 HydrophobicContact CB-CG2 4.34Å; L60-V84 HydrophobicContact CD2-CG1 4.36Å; L60-V84 HydrophobicContact CD2-CG2 4.5Å; L60-V84 WeakPolarHBondContact O-CA 3.37Å; L60-L85 PolarHBondContact O-N 3.36Å; L60-L96 HydrophobicContact CD2-CD1 4Å; L60-L96 HydrophobicContact CD2-CD2 3.83Å
61	E	98.6	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.5	-179.4	-49.5	176.2	137.7	0	0	109.7	T29 D30 M31 K32 N59 Y83 L85	T29-E61 WeakPolarHBondContact CB-OE2 3.46Å; T29-E61 WeakPolarHBondContact OG1-CB 3.48Å; T29-E61 WeakPolarHBondContact OG1-CG 3.44Å; T29-E61 PolarHBondContact OG1-OE2 2.82Å; D30-E61 PolarHBondContact N-OE2 2.87Å; M31-E61 WeakPolarHBondContact CA-OE2 3.47Å; M31-E61 VanDerWaalsContact CB-OE2 3.32Å; M31-E61 WeakPolarHBondContact CB-OE2 3.3Å; M31-E61 PolarHBondContact N-OE2 2.88Å; K32-E61 PolarHBondContact N-OE1 3.46Å; K32-E61 PolarHBondContact N-OE2 2.75Å; N59-E61 HydrophobicContact CB-CG 4Å; E61-Y83 HydrophobicContact CG-CE2 3.97Å; E61-Y83 PolarHBondContact OE1-OH 2.92Å; E61-L85 WeakPolarHBondContact CA-O 3.22Å; E61-L85 HydrophobicContact CB-CB 4.37Å; E61-L85 HydrophobicContact CB-CD2 4.48Å; E61-L85 HydrophobicContact CG-CB 4.23Å; E61-L85 HydrophobicContact CG-CD2 4.37Å
62	L	98	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	100.6	178.3	-56.5	173.4	0	0	0	106.5	L46 L60 L65 L74 L85 I86 A87 N89 V94	L46-L62 HydrophobicContact CD1-CD2 4.44Å; L60-L62 HydrophobicContact CD1-CD2 4.1Å; L60-L62 HydrophobicContact CD1-CG 4.23Å; L60-L62 HydrophobicContact CG-CG 4.38Å; L62-L65 HydrophobicContact CB-CD1 3.98Å; L62-L74 HydrophobicContact CD1-CD1 3.56Å; L62-L74 HydrophobicContact CD2-CD1 3.97Å; L62-L74 HydrophobicContact CD2-CD2 4.3Å; L62-L74 HydrophobicContact CG-CD1 4.44Å; L62-L85 PolarHBondContact N-O 2.76Å; L62-I86 HydrophobicContact CB-CG1 4.29Å; L62-I86 HydrophobicContact CD1-CD1 4.13Å; L62-I86 HydrophobicContact CD1-CG1 4.21Å; L62-I86 WeakPolarHBondContact O-CA 3.35Å; L62-A87 PolarHBondContact O-N 3.1Å; L62-N89 PolarHBondContact O-ND2 2.95Å; L62-N89 PolarHBondContact O-OD1 3.15Å; L62-V94 HydrophobicContact CD1-CG1 3.43Å; L62-V94 VanDerWaalsContact CD1-CG1 3.43Å
63	T	96.7	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.8	-176.5	59.5	0	0	0	0	111.8	H42 L65 L85 A87 N89	H42-T63 PolarHBondContact CD2-O 3.38Å; H42-T63 PolarHBondContact NE2-O 2.82Å; H42-T63 VanDerWaalsContact NE2-O 3.16Å; T63-L65 VanDerWaalsContact C-N 3.25Å; T63-L65 PolarHBondContact O-N 3.05Å; T63-L65 VanDerWaalsContact O-N 3.15Å; T63-L85 HydrophobicContact CG2-CD2 4.19Å; T63-L85 HydrophobicContact CG2-CG 4.19Å; T63-A87 VanDerWaalsContact CA-O 3.24Å; T63-A87 WeakPolarHBondContact CA-O 3.35Å; T63-A87 HydrophobicContact CG2-CB 4.31Å; T63-N89 WeakPolarHBondContact CA-OD1 3.23Å
64	Y	95.9	Very high	97.4	Very high	70 Å²	70	33.8 Å²	33.8	28%	0.275	19%	0.194	S	C	.	.	S	Bend	trans	56.5	31.5	174	-54.3	-77.6	0	0	0	115.3	L33 L35 P36 A87 H88 N89	L33-Y64 PolarHBondContact O-OH 3.18Å; L35-Y64 HydrophobicContact CD2-CD1 4.49Å; L35-Y64 HydrophobicContact CD2-CE1 4.19Å; L35-Y64 HydrophobicContact CG-CE1 4.39Å; P36-Y64 VanDerWaalsContact CD-CD2 3.49Å; P36-Y64 HydrophobicContact CG-CD2 4.13Å; P36-Y64 HydrophobicContact CG-CG 4.43Å; Y64-A87 PolarHBondContact N-O 3.36Å; Y64-H88 VanDerWaalsContact CA-O 3.27Å; Y64-H88 WeakPolarHBondContact CA-O 3.27Å; Y64-H88 HydrophobicContact CD1-CB 3.8Å; Y64-H88 HydrophobicContact CE1-CB 3.69Å; Y64-H88 AromaticContact CE1-CD2 3.84Å; Y64-H88 AromaticContact CE1-CG 3.9Å; Y64-H88 HydrophobicContact CG-CB 4.4Å; Y64-H88 AromaticContact CZ-CD2 3.67Å; Y64-H88 PolarHBondContact N-O 3.45Å; Y64-H88 PolarHBondContact OH-CD2 3.22Å; Y64-N89 PolarHBondContact N-OD1 3.16Å
65	L	96.1	Very high	97.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.202	C	C	.	.			trans	-82.2	130.4	-179.5	-60.1	171	0	0	0	112	L43 L46 L62 T63 A69 L71 N89 Q90 V91	L43-L65 HydrophobicContact CD1-CD2 4.18Å; L46-L65 HydrophobicContact CD1-CD2 3.61Å; L62-L65 HydrophobicContact CB-CD1 3.98Å; T63-L65 VanDerWaalsContact C-N 3.25Å; T63-L65 PolarHBondContact O-N 3.05Å; T63-L65 VanDerWaalsContact O-N 3.15Å; L65-A69 HydrophobicContact CB-CB 4.33Å; L65-L71 HydrophobicContact CD1-CD1 3.91Å; L65-L71 HydrophobicContact CD1-CD2 3.88Å; L65-N89 HydrophobicContact CB-CB 4.26Å; L65-N89 VanDerWaalsContact CB-OD1 3.27Å; L65-N89 WeakPolarHBondContact CB-OD1 3.37Å; L65-N89 VanDerWaalsContact CG-OD1 3.23Å; L65-N89 WeakPolarHBondContact CG-OD1 3.27Å; L65-N89 PolarHBondContact N-OD1 3.49Å; L65-Q90 PolarHBondContact O-N 3.01Å; L65-V91 HydrophobicContact CB-CG1 3.81Å
66	P	94.8	Very high	97.3	Very high	55 Å²	55	36.3 Å²	36.3	36%	0.357	21%	0.206	S	C	.	.			trans	-71.9	160	-179.5	30.6	-36.4	0	0	0	111.9	N68 A69 V91	P66-N68 PolarHBondContact O-N 3.34Å; P66-A69 HydrophobicContact CG-CB 4.14Å; P66-A69 WeakPolarHBondContact O-CB 3.27Å; P66-A69 PolarHBondContact O-N 2.81Å; P66-V91 WeakPolarHBondContact O-CG1 3.15Å
67	T	94.3	Very high	97.3	Very high	83 Å²	83	36.3 Å²	36.3	51%	0.509	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.7	-176	-57.7	0	0	0	0	114	Q90	T67-Q90 WeakPolarHBondContact OG1-CB 3.34Å; T67-Q90 PolarHBondContact OG1-OE1 3.15Å
68	N	93.7	Very high	97.3	Very high	144 Å²	144	35.5 Å²	35.5	77%	0.77	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	6.8	-176.4	64.5	-16.3	0	0	0	114.2	P66 S70	P66-N68 PolarHBondContact O-N 3.34Å; N68-S70 PolarHBondContact O-N 3.32Å
69	A	96.4	Very high	97.3	Very high	15 Å²	15	36.1 Å²	36.1	12%	0.124	20%	0.201	C	C	.	.			trans	-64.5	123.3	179.4	0	0	0	0	0	111.4	L43 L65 P66 L71 V91	L43-A69 HydrophobicContact CD1-CB 3.99Å; L43-A69 HydrophobicContact CD2-CB 3.78Å; L65-A69 HydrophobicContact CB-CB 4.33Å; P66-A69 HydrophobicContact CG-CB 4.14Å; P66-A69 WeakPolarHBondContact O-CB 3.27Å; P66-A69 PolarHBondContact O-N 2.81Å; A69-L71 HydrophobicContact CB-CD2 4.2Å; A69-V91 HydrophobicContact CB-CG1 3.78Å
70	S	96.8	Very high	97.3	Very high	70 Å²	70	36 Å²	36	49%	0.49	20%	0.2	S	C	.	.			trans	-86.3	113.9	172.3	-179.6	0	0	0	0	110.2	R47 N68 F73	R47-S70 PolarHBondContact NH2-O 3.01Å; N68-S70 PolarHBondContact O-N 3.32Å; S70-F73 WeakPolarHBondContact O-CE1 3.43Å
71	L	98.2	Very high	97.3	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.042	21%	0.213	C	C	.	.			trans	-105.9	17.4	-175.2	-55.5	-176.6	0	0	0	113.8	L43 L65 A69 F73 L74 V91 V94 P95	L43-L71 HydrophobicContact CD1-CD2 3.8Å; L65-L71 HydrophobicContact CD1-CD1 3.91Å; L65-L71 HydrophobicContact CD1-CD2 3.88Å; A69-L71 HydrophobicContact CB-CD2 4.2Å; L71-F73 HydrophobicContact CD2-CE1 4.05Å; L71-F73 HydrophobicContact CD2-CZ 3.9Å; L71-F73 PolarHBondContact O-N 3.42Å; L71-L74 HydrophobicContact CB-CD1 3.99Å; L71-L74 HydrophobicContact CB-CG 4.48Å; L71-L74 HydrophobicContact CD1-CD1 4.39Å; L71-L74 WeakPolarHBondContact O-CB 3.35Å; L71-L74 PolarHBondContact O-N 3.49Å; L71-V91 HydrophobicContact CD1-CB 4.37Å; L71-V91 HydrophobicContact CD1-CG1 4.21Å; L71-V91 HydrophobicContact CD1-CG2 3.98Å; L71-V94 HydrophobicContact CD1-CG2 4.21Å; L71-P95 HydrophobicContact CB-CG 4.11Å; L71-P95 WeakPolarHBondContact O-CG 3.03Å
72	S	97.9	Very high	97.3	Very high	67 Å²	67	38.9 Å²	38.9	47%	0.469	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58.1	-23.8	-178.3	57.4	0	0	0	0	113.8	L74 Q75	S72-L74 PolarHBondContact O-N 3.18Å; S72-L74 VanDerWaalsContact O-N 3.14Å; S72-Q75 VanDerWaalsContact O-CB 3.3Å; S72-Q75 WeakPolarHBondContact O-CB 3.18Å; S72-Q75 WeakPolarHBondContact O-CG 3.04Å; S72-Q75 PolarHBondContact O-N 3.39Å; S72-Q75 VanDerWaalsContact O-N 3.15Å; S72-Q75 PolarHBondContact O-OE1 3.01Å
73	F	98.1	Very high	97.3	Very high	13 Å²	13	39 Å²	39	6%	0.057	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-63.7	-14.4	176.2	60.3	-98.6	0	0	0	114	L43 L46 R47 Y50 Q51 S70 L71	L43-F73 HydrophobicContact CD1-CE1 4.03Å; L43-F73 HydrophobicContact CD1-CZ 4.15Å; L46-F73 HydrophobicContact CB-CE2 4.33Å; L46-F73 HydrophobicContact CB-CZ 4.19Å; R47-F73 HydrophobicContact CB-CD1 3.9Å; R47-F73 HydrophobicContact CB-CE1 3.87Å; R47-F73 HydrophobicContact CB-CG 4.24Å; R47-F73 HydrophobicContact CB-CZ 4.2Å; R47-F73 HydrophobicContact CG-CB 4.23Å; R47-F73 HydrophobicContact CG-CD1 3.76Å; R47-F73 HydrophobicContact CG-CE1 4.25Å; R47-F73 HydrophobicContact CG-CG 3.99Å; Y50-F73 HydrophobicContact CD2-CE2 4.41Å; Q51-F73 HydrophobicContact CB-CB 4.27Å; S70-F73 WeakPolarHBondContact O-CE1 3.43Å; L71-F73 HydrophobicContact CD2-CE1 4.05Å; L71-F73 HydrophobicContact CD2-CZ 3.9Å; L71-F73 PolarHBondContact O-N 3.42Å
74	L	98.6	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-84.1	-11.7	176.7	-59.1	177.3	0	0	0	113.7	Y50 L60 L62 L71 S72 D76 I77 V94 P95 L96	Y50-L74 HydrophobicContact CD2-CD2 4.06Å; Y50-L74 HydrophobicContact CG-CD2 4.12Å; L60-L74 HydrophobicContact CD1-CD2 4.4Å; L62-L74 HydrophobicContact CD1-CD1 3.56Å; L62-L74 HydrophobicContact CD2-CD1 3.97Å; L62-L74 HydrophobicContact CD2-CD2 4.3Å; L62-L74 HydrophobicContact CG-CD1 4.44Å; L71-L74 HydrophobicContact CB-CD1 3.99Å; L71-L74 HydrophobicContact CB-CG 4.48Å; L71-L74 HydrophobicContact CD1-CD1 4.39Å; L71-L74 WeakPolarHBondContact O-CB 3.35Å; L71-L74 PolarHBondContact O-N 3.49Å; S72-L74 PolarHBondContact O-N 3.18Å; S72-L74 VanDerWaalsContact O-N 3.14Å; L74-D76 PolarHBondContact O-N 3.4Å; L74-I77 HydrophobicContact CB-CD1 4.3Å; L74-I77 HydrophobicContact CD2-CD1 3.7Å; L74-I77 WeakPolarHBondContact O-CB 3.3Å; L74-I77 PolarHBondContact O-N 2.92Å; L74-I77 VanDerWaalsContact O-N 3.14Å; L74-V94 HydrophobicContact CD1-CG1 3.93Å; L74-P95 CarbonylContact C-O 3.14Å; L74-L96 HydrophobicContact CB-CD2 4.17Å
75	Q	97.9	Very high	97.5	Very high	87 Å²	87	35.9 Å²	35.9	41%	0.407	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22	-169.6	73	-175.3	19	0	0	114.4	S72 P95 R98	S72-Q75 VanDerWaalsContact O-CB 3.3Å; S72-Q75 WeakPolarHBondContact O-CB 3.18Å; S72-Q75 WeakPolarHBondContact O-CG 3.04Å; S72-Q75 PolarHBondContact O-N 3.39Å; S72-Q75 VanDerWaalsContact O-N 3.15Å; S72-Q75 PolarHBondContact O-OE1 3.01Å; Q75-P95 WeakPolarHBondContact CA-O 3.47Å; Q75-R98 WeakPolarHBondContact O-CB 3.5Å; Q75-R98 VanDerWaalsContact O-CD 3.29Å; Q75-R98 WeakPolarHBondContact O-CD 3.45Å; Q75-R98 VanDerWaalsContact O-CG 3.3Å; Q75-R98 WeakPolarHBondContact O-CG 3.45Å
76	D	97.8	Very high	97.6	Very high	36 Å²	36	36 Å²	36	19%	0.193	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.6	-174.9	-63.8	-46.7	0	0	0	113.1	C53 L74 Q78 R98	C53-D76 CarbonylContact O-C 3.57Å; C53-D76 VanDerWaalsContact O-C 3.22Å; L74-D76 PolarHBondContact O-N 3.4Å; D76-Q78 PolarHBondContact O-N 2.95Å; D76-Q78 PolarHBondContact O-NE2 3.38Å; D76-R98 IonicContact OD1-CZ 2.68Å; D76-R98 IonicContact OD1-NH1 2.64Å; D76-R98 PolarHBondContact OD1-NH1 3.21Å
77	I	98.8	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.			trans	-64.6	125.9	-179.7	-62.4	175.4	0	0	0	109.3	Y50 C53 V56 L60 L74 V80 L96 R98 L99	Y50-I77 HydrophobicContact CD1-CD1 4.37Å; Y50-I77 HydrophobicContact CG-CD1 4.49Å; C53-I77 WeakPolarHBondContact O-CA 3.12Å; C53-I77 PolarHBondContact O-N 3.05Å; V56-I77 HydrophobicContact CG2-CD1 4.16Å; V56-I77 HydrophobicContact CG2-CG1 4.46Å; V56-I77 HydrophobicContact CG2-CG2 4.09Å; L60-I77 HydrophobicContact CD1-CD1 4.17Å; L60-I77 HydrophobicContact CD2-CD1 4.23Å; L74-I77 HydrophobicContact CB-CD1 4.3Å; L74-I77 HydrophobicContact CD2-CD1 3.7Å; L74-I77 WeakPolarHBondContact O-CB 3.3Å; L74-I77 PolarHBondContact O-N 2.92Å; L74-I77 VanDerWaalsContact O-N 3.14Å; I77-V80 HydrophobicContact CG2-CG2 4.17Å; I77-L96 HydrophobicContact CB-CD2 4.23Å; I77-L96 HydrophobicContact CD1-CD2 4.28Å; I77-L96 HydrophobicContact CG2-CD2 4.48Å; I77-R98 CarbonylContact O-C 3.6Å; I77-R98 WeakPolarHBondContact O-CB 3.46Å; I77-L99 HydrophobicContact CG2-CD1 4.17Å; I77-L99 WeakPolarHBondContact O-CA 3.43Å; I77-L99 PolarHBondContact O-N 3.47Å
78	Q	98.6	Very high	97.6	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.364	18%	0.181	S	C	.	.			trans	-116.4	-28.6	-178.9	-73.1	167.4	68.1	0	0	112.3	Q54 D76 R98 R100 I101	Q54-Q78 PolarHBondContact O-N 3.21Å; D76-Q78 PolarHBondContact O-N 2.95Å; D76-Q78 PolarHBondContact O-NE2 3.38Å; Q78-R98 WeakPolarHBondContact CA-O 3.31Å; Q78-R98 HydrophobicContact CG-CB 4.02Å; Q78-R100 PolarHBondContact O-N 3.32Å; Q78-I101 PolarHBondContact O-N 3.41Å
79	E	98.6	Very high	97.7	Very high	28 Å²	28	27.1 Å²	27.1	13%	0.131	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	140.7	-176.6	-177.1	178.1	128.1	0	0	112.1	Q54 V55 V56 I101 R103	Q54-E79 PolarHBondContact O-N 3.12Å; V55-E79 WeakPolarHBondContact CA-O 3.4Å; V55-E79 HydrophobicContact CB-CB 4.5Å; V55-E79 HydrophobicContact CG1-CB 4.26Å; V55-E79 HydrophobicContact CG1-CG 4.32Å; V55-E79 HydrophobicContact CG2-CB 4.12Å; V56-E79 PolarHBondContact N-O 3.48Å; E79-I101 CarbonylContact C-O 3.59Å; E79-I101 VanDerWaalsContact CA-O 3.27Å; E79-I101 WeakPolarHBondContact CA-O 3.3Å; E79-I101 HydrophobicContact CG-CB 4.13Å; E79-I101 HydrophobicContact CG-CG2 4.21Å; E79-R103 VanDerWaalsContact CD-NE 3.29Å; E79-R103 IonicContact OE1-CZ 3.21Å; E79-R103 IonicContact OE1-NE 2.67Å; E79-R103 PolarHBondContact OE1-NE 3.23Å; E79-R103 IonicContact OE1-NH2 2.94Å; E79-R103 PolarHBondContact OE1-NH2 3.15Å; E79-R103 IonicContact OE2-CZ 3.53Å; E79-R103 IonicContact OE2-NE 3.71Å; E79-R103 IonicContact OE2-NH2 2.73Å; E79-R103 PolarHBondContact OE2-NH2 3.04Å
80	V	98.8	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.8	168.1	-179.7	0	0	0	0	108.6	V56 G58 L60 I77 Y83 V84 L99 I101 V102 R103	V56-V80 HydrophobicContact CB-CB 4.45Å; V56-V80 HydrophobicContact CB-CG1 4.34Å; V56-V80 HydrophobicContact CB-CG2 4.15Å; V56-V80 HydrophobicContact CG2-CG2 4.14Å; G58-V80 WeakPolarHBondContact O-CG1 3.47Å; L60-V80 HydrophobicContact CB-CG1 4.03Å; L60-V80 HydrophobicContact CB-CG2 3.84Å; L60-V80 HydrophobicContact CD2-CG2 4.1Å; I77-V80 HydrophobicContact CG2-CG2 4.17Å; V80-Y83 WeakPolarHBondContact CG1-O 3.41Å; V80-V84 HydrophobicContact CB-CG2 4.2Å; V80-V84 HydrophobicContact CG1-CG2 4.24Å; V80-V84 HydrophobicContact CG2-CG2 4.02Å; V80-L99 HydrophobicContact CG2-CD1 3.94Å; V80-I101 PolarHBondContact N-O 3.41Å; V80-V102 HydrophobicContact CB-CG1 4.29Å; V80-V102 HydrophobicContact CB-CG2 4.2Å; V80-V102 CarbonylContact O-C 3.55Å; V80-V102 VanDerWaalsContact O-CA 3.28Å; V80-V102 WeakPolarHBondContact O-CA 3.42Å; V80-R103 PolarHBondContact O-N 3.3Å
81	Q	98.8	Very high	97.4	Very high	61 Å²	61	28.5 Å²	28.5	29%	0.285	14%	0.143	S	C	.	.	S	Bend	trans	-76.4	-39.9	-178.2	-69.2	-171	-2.6	0	0	112.9	V56 R103 G104 T105	V56-Q81 PolarHBondContact O-N 3.13Å; Q81-R103 WeakPolarHBondContact O-CB 3.35Å; Q81-G104 PolarHBondContact O-N 3.14Å; Q81-G104 VanDerWaalsContact O-N 3.11Å; Q81-T105 PolarHBondContact O-N 3.04Å; Q81-T105 PolarHBondContact O-OG1 3.29Å
82	G	98.7	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-85.6	-128.2	177.6	0	0	0	0	0	112.1	G58 N59 V102 G104 Q106	G58-G82 WeakPolarHBondContact O-CA 3.37Å; G58-G82 PolarHBondContact O-N 3.43Å; N59-G82 WeakPolarHBondContact OD1-CA 3.41Å; G82-V102 WeakPolarHBondContact O-CG1 3.2Å; G82-G104 WeakPolarHBondContact O-CA 3.46Å; G82-G104 PolarHBondContact O-N 3.04Å; G82-Q106 CarbonylContact C-O 3.48Å
83	Y	98.8	Very high	96.6	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	19%	0.19	C	C	.	.			trans	-108.7	170.6	174.7	61.2	-96.6	0	0	0	112.3	K32 N59 L60 E61 V80 L85 Q106 F108 L112	K32-Y83 VanDerWaalsContact CD-OH 3.29Å; K32-Y83 WeakPolarHBondContact CD-OH 3.36Å; K32-Y83 WeakPolarHBondContact CE-OH 3.29Å; K32-Y83 PolarHBondContact NZ-OH 2.81Å; N59-Y83 WeakPolarHBondContact CA-O 3.48Å; N59-Y83 HydrophobicContact CB-CD1 4.21Å; N59-Y83 HydrophobicContact CB-CD2 4.15Å; N59-Y83 HydrophobicContact CB-CE1 3.88Å; N59-Y83 HydrophobicContact CB-CE2 3.77Å; N59-Y83 HydrophobicContact CB-CG 4.33Å; N59-Y83 VanDerWaalsContact CG-CZ 3.44Å; N59-Y83 WeakPolarHBondContact OD1-CD1 3.44Å; N59-Y83 WeakPolarHBondContact OD1-CE1 3.36Å; N59-Y83 PolarHBondContact OD1-N 2.88Å; L60-Y83 PolarHBondContact N-O 3.26Å; E61-Y83 HydrophobicContact CG-CE2 3.97Å; E61-Y83 PolarHBondContact OE1-OH 2.92Å; V80-Y83 WeakPolarHBondContact CG1-O 3.41Å; Y83-L85 HydrophobicContact CD2-CB 3.92Å; Y83-L85 HydrophobicContact CE2-CB 3.69Å; Y83-L85 HydrophobicContact CE2-CD2 4.39Å; Y83-Q106 HydrophobicContact CD1-CB 4.16Å; Y83-Q106 HydrophobicContact CE1-CB 4.38Å; Y83-Q106 PolarHBondContact N-O 2.93Å; Y83-F108 HydrophobicContact CD1-CB 4.11Å; Y83-F108 HydrophobicContact CD2-CB 3.67Å; Y83-F108 HydrophobicContact CE1-CB 4.15Å; Y83-F108 HydrophobicContact CE2-CB 3.75Å; Y83-F108 HydrophobicContact CE2-CG 4.42Å; Y83-F108 HydrophobicContact CG-CB 3.88Å; Y83-L112 WeakPolarHBondContact CA-O 3.48Å; Y83-L112 WeakPolarHBondContact CB-O 3.48Å
84	V	98.6	Very high	96.6	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.6	171	179.2	0	0	0	0	109.4	L60 V80 I86 L99 V102 L112 Y113 Y114	L60-V84 HydrophobicContact CB-CG2 4.34Å; L60-V84 HydrophobicContact CD2-CG1 4.36Å; L60-V84 HydrophobicContact CD2-CG2 4.5Å; L60-V84 WeakPolarHBondContact O-CA 3.37Å; V80-V84 HydrophobicContact CB-CG2 4.2Å; V80-V84 HydrophobicContact CG1-CG2 4.24Å; V80-V84 HydrophobicContact CG2-CG2 4.02Å; V84-I86 HydrophobicContact CG1-CD1 3.88Å; V84-I86 HydrophobicContact CG1-CG1 4.01Å; V84-L99 HydrophobicContact CG2-CD2 4.35Å; V84-V102 HydrophobicContact CG2-CG1 4.09Å; V84-V102 HydrophobicContact CG2-CG2 3.66Å; V84-L112 PolarHBondContact N-O 3.28Å; V84-Y113 HydrophobicContact CB-CD1 3.87Å; V84-Y113 HydrophobicContact CB-CE1 4.23Å; V84-Y113 HydrophobicContact CG1-CD1 4.47Å; V84-Y113 HydrophobicContact CG2-CD1 4.26Å; V84-Y113 HydrophobicContact CG2-CE1 4.11Å; V84-Y113 WeakPolarHBondContact O-CA 3.3Å; V84-Y114 PolarHBondContact O-N 3.12Å
85	L	98.1	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	178.7	171	61.4	0	0	0	109.8	L33 L60 E61 L62 T63 Y83 A87 F108 Y114	L33-L85 HydrophobicContact CD2-CD1 4.27Å; L33-L85 HydrophobicContact CD2-CD2 4.24Å; L60-L85 PolarHBondContact O-N 3.36Å; E61-L85 WeakPolarHBondContact CA-O 3.22Å; E61-L85 HydrophobicContact CB-CB 4.37Å; E61-L85 HydrophobicContact CB-CD2 4.48Å; E61-L85 HydrophobicContact CG-CB 4.23Å; E61-L85 HydrophobicContact CG-CD2 4.37Å; L62-L85 PolarHBondContact N-O 2.76Å; T63-L85 HydrophobicContact CG2-CD2 4.19Å; T63-L85 HydrophobicContact CG2-CG 4.19Å; Y83-L85 HydrophobicContact CD2-CB 3.92Å; Y83-L85 HydrophobicContact CE2-CB 3.69Å; Y83-L85 HydrophobicContact CE2-CD2 4.39Å; L85-A87 HydrophobicContact CD1-CB 3.95Å; L85-F108 HydrophobicContact CD1-CD1 4.01Å; L85-F108 HydrophobicContact CD1-CE1 3.99Å; L85-F108 HydrophobicContact CD1-CG 4.37Å; L85-F108 HydrophobicContact CD1-CZ 4.36Å; L85-F108 HydrophobicContact CD2-CD2 4.17Å; L85-F108 HydrophobicContact CD2-CE2 4.19Å; L85-Y114 HydrophobicContact CD1-CD1 3.37Å; L85-Y114 HydrophobicContact CD1-CE1 4.2Å; L85-Y114 HydrophobicContact CD1-CG 3.87Å
86	I	97.2	Very high	96.4	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	98.1	178.3	-57.6	-180	0	0	0	107.8	L62 V84 N89 V94 L96 Y114 W115 D116	L62-I86 HydrophobicContact CB-CG1 4.29Å; L62-I86 HydrophobicContact CD1-CD1 4.13Å; L62-I86 HydrophobicContact CD1-CG1 4.21Å; L62-I86 WeakPolarHBondContact O-CA 3.35Å; V84-I86 HydrophobicContact CG1-CD1 3.88Å; V84-I86 HydrophobicContact CG1-CG1 4.01Å; I86-N89 WeakPolarHBondContact CG2-ND2 3.24Å; I86-V94 HydrophobicContact CD1-CB 4.42Å; I86-V94 HydrophobicContact CD1-CG1 4.1Å; I86-V94 HydrophobicContact CD1-CG2 4.42Å; I86-V94 HydrophobicContact CG2-CG2 4.11Å; I86-L96 HydrophobicContact CD1-CD1 4.1Å; I86-Y114 PolarHBondContact N-O 2.76Å; I86-W115 HydrophobicContact CB-CD2 4.09Å; I86-W115 HydrophobicContact CB-CE3 3.51Å; I86-W115 HydrophobicContact CB-CZ3 3.85Å; I86-W115 HydrophobicContact CD1-CE3 3.48Å; I86-W115 VanDerWaalsContact CD1-CE3 3.48Å; I86-W115 HydrophobicContact CD1-CH2 4.22Å; I86-W115 HydrophobicContact CD1-CZ3 3.17Å; I86-W115 HydrophobicContact CG1-CE3 3.97Å; I86-W115 HydrophobicContact CG1-CZ3 4.03Å; I86-W115 HydrophobicContact CG2-CD2 4.01Å; I86-W115 HydrophobicContact CG2-CE3 3.61Å; I86-W115 HydrophobicContact CG2-CH2 3.86Å; I86-W115 HydrophobicContact CG2-CZ2 4.23Å; I86-W115 HydrophobicContact CG2-CZ3 3.56Å; I86-W115 CarbonylContact O-C 3.55Å; I86-W115 VanDerWaalsContact O-CA 3.31Å; I86-W115 WeakPolarHBondContact O-CA 3.33Å; I86-D116 PolarHBondContact O-N 2.82Å
87	A	95.6	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.9	-170.9	0	0	0	0	0	112.3	L33 L62 T63 Y64 L85 N89 Y114 D116	L33-A87 HydrophobicContact CD2-CB 3.62Å; L62-A87 PolarHBondContact O-N 3.1Å; T63-A87 VanDerWaalsContact CA-O 3.24Å; T63-A87 WeakPolarHBondContact CA-O 3.35Å; T63-A87 HydrophobicContact CG2-CB 4.31Å; Y64-A87 PolarHBondContact N-O 3.36Å; L85-A87 HydrophobicContact CD1-CB 3.95Å; A87-N89 PolarHBondContact N-ND2 3.22Å; A87-N89 PolarHBondContact O-N 3.21Å; A87-N89 VanDerWaalsContact O-N 3.1Å; A87-N89 PolarHBondContact O-ND2 3.42Å; A87-Y114 HydrophobicContact CB-CD1 4.19Å; A87-Y114 HydrophobicContact CB-CE1 3.95Å; A87-D116 WeakPolarHBondContact CA-O 3.34Å; A87-D116 HydrophobicContact CB-CB 4.44Å
88	H	94.8	Very high	96.3	Very high	89 Å²	89	50.3 Å²	50.3	41%	0.412	23%	0.225	S	C	.	.	S	Bend	trans	53.9	30.9	176.8	-57.3	-55	0	0	0	114.6	Y64 D116	Y64-H88 VanDerWaalsContact CA-O 3.27Å; Y64-H88 WeakPolarHBondContact CA-O 3.27Å; Y64-H88 HydrophobicContact CD1-CB 3.8Å; Y64-H88 HydrophobicContact CE1-CB 3.69Å; Y64-H88 AromaticContact CE1-CD2 3.84Å; Y64-H88 AromaticContact CE1-CG 3.9Å; Y64-H88 HydrophobicContact CG-CB 4.4Å; Y64-H88 AromaticContact CZ-CD2 3.67Å; Y64-H88 PolarHBondContact N-O 3.45Å; Y64-H88 PolarHBondContact OH-CD2 3.22Å; H88-D116 PolarHBondContact N-O 2.96Å
89	N	94.1	Very high	96.3	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.043	22%	0.215	C	C	.	.			trans	-97.8	142.8	177.7	-58	-60.9	0	0	0	111.1	L62 T63 Y64 L65 I86 A87 V91	L62-N89 PolarHBondContact O-ND2 2.95Å; L62-N89 PolarHBondContact O-OD1 3.15Å; T63-N89 WeakPolarHBondContact CA-OD1 3.23Å; Y64-N89 PolarHBondContact N-OD1 3.16Å; L65-N89 HydrophobicContact CB-CB 4.26Å; L65-N89 VanDerWaalsContact CB-OD1 3.27Å; L65-N89 WeakPolarHBondContact CB-OD1 3.37Å; L65-N89 VanDerWaalsContact CG-OD1 3.23Å; L65-N89 WeakPolarHBondContact CG-OD1 3.27Å; L65-N89 PolarHBondContact N-OD1 3.49Å; I86-N89 WeakPolarHBondContact CG2-ND2 3.24Å; A87-N89 PolarHBondContact N-ND2 3.22Å; A87-N89 PolarHBondContact O-N 3.21Å; A87-N89 VanDerWaalsContact O-N 3.1Å; A87-N89 PolarHBondContact O-ND2 3.42Å; N89-V91 HydrophobicContact CB-CG2 3.84Å
90	Q	93.7	Very high	96.3	Very high	107 Å²	107	56.1 Å²	56.1	50%	0.5	24%	0.244	S	C	.	.			trans	-96.1	-2.6	171.4	-56.3	178.3	-2.4	0	0	112.5	L65 T67	L65-Q90 PolarHBondContact O-N 3.01Å; T67-Q90 WeakPolarHBondContact OG1-CB 3.34Å; T67-Q90 PolarHBondContact OG1-OE1 3.15Å
91	V	93.6	Very high	96.2	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	26%	0.263	C	S	.	.			trans	-67.1	137.9	175.2	-58.9	0	0	0	0	110.7	L65 P66 A69 L71 N89 V94 Q117	L65-V91 HydrophobicContact CB-CG1 3.81Å; P66-V91 WeakPolarHBondContact O-CG1 3.15Å; A69-V91 HydrophobicContact CB-CG1 3.78Å; L71-V91 HydrophobicContact CD1-CB 4.37Å; L71-V91 HydrophobicContact CD1-CG1 4.21Å; L71-V91 HydrophobicContact CD1-CG2 3.98Å; N89-V91 HydrophobicContact CB-CG2 3.84Å; V91-V94 HydrophobicContact CG2-CG2 4.03Å; V91-Q117 PolarHBondContact O-NE2 3.03Å
92	R	88.9	Confident	96.2	Very high	231 Å²	231	57.6 Å²	57.6	87%	0.872	25%	0.254	S	S	*	.	S	Bend	trans	-78.7	-24.5	-178.7	-63.3	-174.7	-178.4	-168.7	0.3	113.9
93	Q	91.6	Very high	96.2	Very high	137 Å²	137	64.3 Å²	64.3	64%	0.64	28%	0.279	S	S	*	.			trans	-147.7	139	-175	-173.7	175.2	-3.9	0	0	110.4
94	V	96.5	Very high	96.2	Very high	17 Å²	17	65.4 Å²	65.4	10%	0.103	29%	0.291	C	S	.	.			trans	-113.1	113.7	172.1	-176.8	0	0	0	0	108.1	L62 L71 L74 I86 V91 L96 W115	L62-V94 HydrophobicContact CD1-CG1 3.43Å; L62-V94 VanDerWaalsContact CD1-CG1 3.43Å; L71-V94 HydrophobicContact CD1-CG2 4.21Å; L74-V94 HydrophobicContact CD1-CG1 3.93Å; I86-V94 HydrophobicContact CD1-CB 4.42Å; I86-V94 HydrophobicContact CD1-CG1 4.1Å; I86-V94 HydrophobicContact CD1-CG2 4.42Å; I86-V94 HydrophobicContact CG2-CG2 4.11Å; V91-V94 HydrophobicContact CG2-CG2 4.03Å; V94-L96 HydrophobicContact CG1-CD1 3.91Å; V94-L96 HydrophobicContact CG1-CG 3.99Å; V94-L96 PolarHBondContact O-N 3.09Å; V94-W115 HydrophobicContact CB-CH2 4.01Å; V94-W115 HydrophobicContact CB-CZ3 4.3Å; V94-W115 HydrophobicContact CG2-CH2 3.71Å; V94-W115 HydrophobicContact CG2-CZ3 4.2Å
95	P	96.8	Very high	96.1	Very high	20 Å²	20	69.7 Å²	69.7	13%	0.13	32%	0.317	C	S	.	.			trans	-83	79.6	-171.7	33.9	-35.7	0	0	0	112.1	L71 L74 Q75 Q97	L71-P95 HydrophobicContact CB-CG 4.11Å; L71-P95 WeakPolarHBondContact O-CG 3.03Å; L74-P95 CarbonylContact C-O 3.14Å; Q75-P95 WeakPolarHBondContact CA-O 3.47Å; P95-Q97 PolarHBondContact O-OE1 3.17Å
96	L	97.4	Very high	96.1	Very high	30 Å²	30	73.7 Å²	73.7	16%	0.157	34%	0.336	C	S	.	.			trans	-105.3	39.6	175.3	-68.6	168.7	0	0	0	112.1	L60 L74 I77 I86 V94 R98 L99	L60-L96 HydrophobicContact CD2-CD1 4Å; L60-L96 HydrophobicContact CD2-CD2 3.83Å; L74-L96 HydrophobicContact CB-CD2 4.17Å; I77-L96 HydrophobicContact CB-CD2 4.23Å; I77-L96 HydrophobicContact CD1-CD2 4.28Å; I77-L96 HydrophobicContact CG2-CD2 4.48Å; I86-L96 HydrophobicContact CD1-CD1 4.1Å; V94-L96 HydrophobicContact CG1-CD1 3.91Å; V94-L96 HydrophobicContact CG1-CG 3.99Å; V94-L96 PolarHBondContact O-N 3.09Å; L96-R98 PolarHBondContact O-N 3.32Å; L96-R98 VanDerWaalsContact O-N 3.15Å; L96-L99 HydrophobicContact CB-CB 4.07Å; L96-L99 HydrophobicContact CB-CD2 4.39Å; L96-L99 HydrophobicContact CD1-CD2 4.25Å; L96-L99 WeakPolarHBondContact O-CB 3.12Å; L96-L99 PolarHBondContact O-N 3.21Å; L96-L99 VanDerWaalsContact O-N 3.09Å
97	Q	96.1	Very high	96.2	Very high	115 Å²	115	77.4 Å²	77.4	54%	0.537	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.1	-172.1	-59.5	84.4	-3.7	0	0	113.7	P95	P95-Q97 PolarHBondContact O-OE1 3.17Å
98	R	97.9	Very high	96.3	Very high	119 Å²	119	77.9 Å²	77.9	45%	0.449	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.9	178	-65.9	-168.7	-176.4	156.2	8.9	113.6	Q75 D76 I77 Q78 L96 R100	Q75-R98 WeakPolarHBondContact O-CB 3.5Å; Q75-R98 VanDerWaalsContact O-CD 3.29Å; Q75-R98 WeakPolarHBondContact O-CD 3.45Å; Q75-R98 VanDerWaalsContact O-CG 3.3Å; Q75-R98 WeakPolarHBondContact O-CG 3.45Å; D76-R98 IonicContact OD1-CZ 2.68Å; D76-R98 IonicContact OD1-NH1 2.64Å; D76-R98 PolarHBondContact OD1-NH1 3.21Å; I77-R98 CarbonylContact O-C 3.6Å; I77-R98 WeakPolarHBondContact O-CB 3.46Å; Q78-R98 WeakPolarHBondContact CA-O 3.31Å; Q78-R98 HydrophobicContact CG-CB 4.02Å; L96-R98 PolarHBondContact O-N 3.32Å; L96-R98 VanDerWaalsContact O-N 3.15Å; R98-R100 WeakPolarHBondContact O-CG 3.29Å; R98-R100 PolarHBondContact O-N 3.11Å
99	L	98.3	Very high	96.3	Very high	32 Å²	32	79.5 Å²	79.5	17%	0.168	37%	0.365	C	S	.	.			trans	-62.9	119.6	179.1	-178.2	63.9	0	0	0	109.3	I77 V80 V84 L96 V102	I77-L99 HydrophobicContact CG2-CD1 4.17Å; I77-L99 WeakPolarHBondContact O-CA 3.43Å; I77-L99 PolarHBondContact O-N 3.47Å; V80-L99 HydrophobicContact CG2-CD1 3.94Å; V84-L99 HydrophobicContact CG2-CD2 4.35Å; L96-L99 HydrophobicContact CB-CB 4.07Å; L96-L99 HydrophobicContact CB-CD2 4.39Å; L96-L99 HydrophobicContact CD1-CD2 4.25Å; L96-L99 WeakPolarHBondContact O-CB 3.12Å; L96-L99 PolarHBondContact O-N 3.21Å; L96-L99 VanDerWaalsContact O-N 3.09Å; L99-V102 HydrophobicContact CD1-CG2 4.11Å; L99-V102 HydrophobicContact CD2-CG2 4.03Å; L99-V102 HydrophobicContact CG-CG2 4.33Å
100	R	97.7	Very high	96.4	Very high	196 Å²	196	86.2 Å²	86.2	74%	0.74	40%	0.401	S	S	*	.			trans	-113.7	-33.1	-179.3	-60.8	-49	-177.4	178.2	-1.9	112.8	Q78 R98	Q78-R100 PolarHBondContact O-N 3.32Å; R98-R100 WeakPolarHBondContact O-CG 3.29Å; R98-R100 PolarHBondContact O-N 3.11Å
101	I	97.9	Very high	96.4	Very high	77 Å²	77	84.8 Å²	84.8	40%	0.395	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.4	-171.1	-59.6	176.1	0	0	0	109.7	Q78 E79 V80 R103	Q78-I101 PolarHBondContact O-N 3.41Å; E79-I101 CarbonylContact C-O 3.59Å; E79-I101 VanDerWaalsContact CA-O 3.27Å; E79-I101 WeakPolarHBondContact CA-O 3.3Å; E79-I101 HydrophobicContact CG-CB 4.13Å; E79-I101 HydrophobicContact CG-CG2 4.21Å; V80-I101 PolarHBondContact N-O 3.41Å; I101-R103 HydrophobicContact CG2-CG 3.8Å
102	V	98.5	Very high	96.5	Very high	16 Å²	16	87.2 Å²	87.2	10%	0.097	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.8	161.2	-176	0	0	0	0	106.5	V80 G82 V84 L99 L112 Y113	V80-V102 HydrophobicContact CB-CG1 4.29Å; V80-V102 HydrophobicContact CB-CG2 4.2Å; V80-V102 CarbonylContact O-C 3.55Å; V80-V102 VanDerWaalsContact O-CA 3.28Å; V80-V102 WeakPolarHBondContact O-CA 3.42Å; G82-V102 WeakPolarHBondContact O-CG1 3.2Å; V84-V102 HydrophobicContact CG2-CG1 4.09Å; V84-V102 HydrophobicContact CG2-CG2 3.66Å; L99-V102 HydrophobicContact CD1-CG2 4.11Å; L99-V102 HydrophobicContact CD2-CG2 4.03Å; L99-V102 HydrophobicContact CG-CG2 4.33Å; V102-L112 HydrophobicContact CB-CD1 4.26Å; V102-L112 HydrophobicContact CB-CD2 4.29Å; V102-L112 HydrophobicContact CB-CG 4.23Å; V102-L112 HydrophobicContact CG1-CD1 3.47Å; V102-L112 VanDerWaalsContact CG1-CD1 3.47Å; V102-L112 HydrophobicContact CG1-CD2 4.33Å; V102-L112 HydrophobicContact CG1-CG 3.77Å; V102-Y113 HydrophobicContact CB-CE1 4.15Å; V102-Y113 HydrophobicContact CB-CE2 4.4Å; V102-Y113 WeakPolarHBondContact CB-OH 3.09Å; V102-Y113 HydrophobicContact CG2-CE1 3.51Å; V102-Y113 VanDerWaalsContact CG2-CZ 3.47Å; V102-Y113 WeakPolarHBondContact CG2-OH 3.5Å
103	R	98.3	Very high	96.8	Very high	140 Å²	140	82.2 Å²	82.2	53%	0.528	39%	0.391	S	S	.	.			trans	-82.1	-28.1	-167.7	-58.1	-175	177.8	-79.2	-6	113.5	E79 V80 Q81 I101 T105	E79-R103 VanDerWaalsContact CD-NE 3.29Å; E79-R103 IonicContact OE1-CZ 3.21Å; E79-R103 IonicContact OE1-NE 2.67Å; E79-R103 PolarHBondContact OE1-NE 3.23Å; E79-R103 IonicContact OE1-NH2 2.94Å; E79-R103 PolarHBondContact OE1-NH2 3.15Å; E79-R103 IonicContact OE2-CZ 3.53Å; E79-R103 IonicContact OE2-NE 3.71Å; E79-R103 IonicContact OE2-NH2 2.73Å; E79-R103 PolarHBondContact OE2-NH2 3.04Å; V80-R103 PolarHBondContact O-N 3.3Å; Q81-R103 WeakPolarHBondContact O-CB 3.35Å; I101-R103 HydrophobicContact CG2-CG 3.8Å; R103-T105 HydrophobicContact CB-CG2 4.38Å
104	G	97.9	Very high	96.9	Very high	24 Å²	24	78.8 Å²	78.8	25%	0.247	37%	0.373	C	S	.	.			trans	70.9	34.8	179.1	0	0	0	0	0	114	Q81 G82 Q106	Q81-G104 PolarHBondContact O-N 3.14Å; Q81-G104 VanDerWaalsContact O-N 3.11Å; G82-G104 WeakPolarHBondContact O-CA 3.46Å; G82-G104 PolarHBondContact O-N 3.04Å; G104-Q106 PolarHBondContact O-N 3.07Å
105	T	98.1	Very high	96.6	Very high	96 Å²	96	84.4 Å²	84.4	59%	0.589	39%	0.393	S	S	*	.	S	Bend	trans	-66.4	-18.8	171.3	61.6	0	0	0	0	112.4	Q81 R103	Q81-T105 PolarHBondContact O-N 3.04Å; Q81-T105 PolarHBondContact O-OG1 3.29Å; R103-T105 HydrophobicContact CB-CG2 4.38Å
106	Q	98.3	Very high	96	Very high	84 Å²	84	84.9 Å²	84.9	39%	0.393	39%	0.394	S	S	.	.	S	Bend	trans	-135.2	154	168.9	-60.6	176.8	34.2	0	0	107.8	N59 G82 Y83 G104	N59-Q106 PolarHBondContact ND2-OE1 3.39Å; N59-Q106 PolarHBondContact OD1-OE1 2.94Å; G82-Q106 CarbonylContact C-O 3.48Å; Y83-Q106 HydrophobicContact CD1-CB 4.16Å; Y83-Q106 HydrophobicContact CE1-CB 4.38Å; Y83-Q106 PolarHBondContact N-O 2.93Å; G104-Q106 PolarHBondContact O-N 3.07Å
107	L	97.9	Very high	94.3	Very high	82 Å²	82	86.3 Å²	86.3	43%	0.429	40%	0.4	S	S	.	.			trans	-126.9	151.9	178.4	-57.8	175	0	0	0	110.5	L112	L107-L112 HydrophobicContact CD2-CB 4.39Å; L107-L112 HydrophobicContact CD2-CD1 4.19Å
108	F	97.4	Very high	92.2	Very high	9 Å²	9	86.7 Å²	86.7	4%	0.039	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-103.1	113.8	169.9	177.3	-99.8	0	0	0	108.7	K32 L33 Y83 L85 D110 N111 Y114	K32-F108 HydrophobicContact CB-CE2 4.25Å; K32-F108 HydrophobicContact CD-CD2 3.51Å; K32-F108 HydrophobicContact CD-CE2 3.79Å; L33-F108 HydrophobicContact CD1-CZ 3.88Å; L33-F108 HydrophobicContact CD2-CZ 4.47Å; L33-F108 HydrophobicContact CG-CE2 4.34Å; L33-F108 HydrophobicContact CG-CZ 3.88Å; Y83-F108 HydrophobicContact CD1-CB 4.11Å; Y83-F108 HydrophobicContact CD2-CB 3.67Å; Y83-F108 HydrophobicContact CE1-CB 4.15Å; Y83-F108 HydrophobicContact CE2-CB 3.75Å; Y83-F108 HydrophobicContact CE2-CG 4.42Å; Y83-F108 HydrophobicContact CG-CB 3.88Å; L85-F108 HydrophobicContact CD1-CD1 4.01Å; L85-F108 HydrophobicContact CD1-CE1 3.99Å; L85-F108 HydrophobicContact CD1-CG 4.37Å; L85-F108 HydrophobicContact CD1-CZ 4.36Å; L85-F108 HydrophobicContact CD2-CD2 4.17Å; L85-F108 HydrophobicContact CD2-CE2 4.19Å; F108-D110 PolarHBondContact O-N 3.38Å; F108-N111 PolarHBondContact N-O 2.64Å; F108-N111 WeakPolarHBondContact O-CA 3.1Å; F108-N111 VanDerWaalsContact O-CB 3.3Å; F108-N111 WeakPolarHBondContact O-CB 3.15Å; F108-N111 PolarHBondContact O-N 3.14Å; F108-Y114 HydrophobicContact CD1-CD1 4.48Å; F108-Y114 AromaticContact CD1-CD2 3.86Å; F108-Y114 HydrophobicContact CD1-CD2 3.86Å; F108-Y114 AromaticContact CD1-CG 3.77Å; F108-Y114 HydrophobicContact CD1-CG 3.77Å; F108-Y114 HydrophobicContact CE1-CD1 4.19Å; F108-Y114 AromaticContact CE1-CD2 3.73Å; F108-Y114 HydrophobicContact CE1-CD2 3.73Å; F108-Y114 HydrophobicContact CE1-CE1 4.46Å; F108-Y114 HydrophobicContact CE1-CE2 4.06Å; F108-Y114 AromaticContact CE1-CG 3.79Å; F108-Y114 HydrophobicContact CE1-CG 3.79Å
109	E	95.4	Very high	89.9	Confident	124 Å²	124	85.6 Å²	85.6	58%	0.579	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	46.3	-176.8	-59.5	-176.5	171.9	0	0	112.1	N111	E109-N111 PolarHBondContact O-N 3.46Å; E109-N111 VanDerWaalsContact O-N 3.08Å; E109-N111 PolarHBondContact O-ND2 3.08Å
110	D	96	Very high	87.6	Confident	149 Å²	149	88.8 Å²	88.8	80%	0.797	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	10.1	-175.1	-56.5	-42.8	0	0	0	115.7	F108	F108-D110 PolarHBondContact O-N 3.38Å
111	N	94.2	Very high	85.1	Confident	77 Å²	77	88.2 Å²	88.2	41%	0.412	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-106	141	177.9	-61.7	-69	0	0	0	112.6	F108 E109	F108-N111 PolarHBondContact N-O 2.64Å; F108-N111 WeakPolarHBondContact O-CA 3.1Å; F108-N111 VanDerWaalsContact O-CB 3.3Å; F108-N111 WeakPolarHBondContact O-CB 3.15Å; F108-N111 PolarHBondContact O-N 3.14Å; E109-N111 PolarHBondContact O-N 3.46Å; E109-N111 VanDerWaalsContact O-N 3.08Å; E109-N111 PolarHBondContact O-ND2 3.08Å
112	L	94.8	Very high	82.7	Confident	56 Å²	56	95.8 Å²	95.8	29%	0.293	47%	0.466	S	S	.	.	S	Bend	trans	-79.3	-36.8	173.8	-173.4	64.7	0	0	0	112.4	Y83 V84 V102 L107	Y83-L112 WeakPolarHBondContact CA-O 3.48Å; Y83-L112 WeakPolarHBondContact CB-O 3.48Å; V84-L112 PolarHBondContact N-O 3.28Å; V102-L112 HydrophobicContact CB-CD1 4.26Å; V102-L112 HydrophobicContact CB-CD2 4.29Å; V102-L112 HydrophobicContact CB-CG 4.23Å; V102-L112 HydrophobicContact CG1-CD1 3.47Å; V102-L112 VanDerWaalsContact CG1-CD1 3.47Å; V102-L112 HydrophobicContact CG1-CD2 4.33Å; V102-L112 HydrophobicContact CG1-CG 3.77Å; L107-L112 HydrophobicContact CD2-CB 4.39Å; L107-L112 HydrophobicContact CD2-CD1 4.19Å
113	Y	95.2	Very high	80.1	Confident	127 Å²	127	98.2 Å²	98.2	50%	0.498	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.1	177.1	-62.6	-85.7	0	0	0	107.8	V84 V102	V84-Y113 HydrophobicContact CB-CD1 3.87Å; V84-Y113 HydrophobicContact CB-CE1 4.23Å; V84-Y113 HydrophobicContact CG1-CD1 4.47Å; V84-Y113 HydrophobicContact CG2-CD1 4.26Å; V84-Y113 HydrophobicContact CG2-CE1 4.11Å; V84-Y113 WeakPolarHBondContact O-CA 3.3Å; V102-Y113 HydrophobicContact CB-CE1 4.15Å; V102-Y113 HydrophobicContact CB-CE2 4.4Å; V102-Y113 WeakPolarHBondContact CB-OH 3.09Å; V102-Y113 HydrophobicContact CG2-CE1 3.51Å; V102-Y113 VanDerWaalsContact CG2-CZ 3.47Å; V102-Y113 WeakPolarHBondContact CG2-OH 3.5Å
114	Y	93.9	Very high	77.4	Confident	64 Å²	64	94.8 Å²	94.8	25%	0.251	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.5	168.8	-176	-82.1	0	0	0	108.3	V84 L85 I86 A87 F108 D116	V84-Y114 PolarHBondContact O-N 3.12Å; L85-Y114 HydrophobicContact CD1-CD1 3.37Å; L85-Y114 HydrophobicContact CD1-CE1 4.2Å; L85-Y114 HydrophobicContact CD1-CG 3.87Å; I86-Y114 PolarHBondContact N-O 2.76Å; A87-Y114 HydrophobicContact CB-CD1 4.19Å; A87-Y114 HydrophobicContact CB-CE1 3.95Å; F108-Y114 HydrophobicContact CD1-CD1 4.48Å; F108-Y114 AromaticContact CD1-CD2 3.86Å; F108-Y114 HydrophobicContact CD1-CD2 3.86Å; F108-Y114 AromaticContact CD1-CG 3.77Å; F108-Y114 HydrophobicContact CD1-CG 3.77Å; F108-Y114 HydrophobicContact CE1-CD1 4.19Å; F108-Y114 AromaticContact CE1-CD2 3.73Å; F108-Y114 HydrophobicContact CE1-CD2 3.73Å; F108-Y114 HydrophobicContact CE1-CE1 4.46Å; F108-Y114 HydrophobicContact CE1-CE2 4.06Å; F108-Y114 AromaticContact CE1-CG 3.79Å; F108-Y114 HydrophobicContact CE1-CG 3.79Å; Y114-D116 HydrophobicContact CD1-CB 4.31Å; Y114-D116 HydrophobicContact CE1-CB 3.41Å; Y114-D116 VanDerWaalsContact CE1-CB 3.41Å
115	W	90.6	Very high	75	Confident	136 Å²	136	98.7 Å²	98.7	52%	0.515	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	107	178.6	-173.1	-76.6	0	0	0	109	I86 V94 Q117	I86-W115 HydrophobicContact CB-CD2 4.09Å; I86-W115 HydrophobicContact CB-CE3 3.51Å; I86-W115 HydrophobicContact CB-CZ3 3.85Å; I86-W115 HydrophobicContact CD1-CE3 3.48Å; I86-W115 VanDerWaalsContact CD1-CE3 3.48Å; I86-W115 HydrophobicContact CD1-CH2 4.22Å; I86-W115 HydrophobicContact CD1-CZ3 3.17Å; I86-W115 HydrophobicContact CG1-CE3 3.97Å; I86-W115 HydrophobicContact CG1-CZ3 4.03Å; I86-W115 HydrophobicContact CG2-CD2 4.01Å; I86-W115 HydrophobicContact CG2-CE3 3.61Å; I86-W115 HydrophobicContact CG2-CH2 3.86Å; I86-W115 HydrophobicContact CG2-CZ2 4.23Å; I86-W115 HydrophobicContact CG2-CZ3 3.56Å; I86-W115 CarbonylContact O-C 3.55Å; I86-W115 VanDerWaalsContact O-CA 3.31Å; I86-W115 WeakPolarHBondContact O-CA 3.33Å; V94-W115 HydrophobicContact CB-CH2 4.01Å; V94-W115 HydrophobicContact CB-CZ3 4.3Å; V94-W115 HydrophobicContact CG2-CH2 3.71Å; V94-W115 HydrophobicContact CG2-CZ3 4.2Å; W115-Q117 HydrophobicContact CZ2-CG 3.86Å; W115-Q117 VanDerWaalsContact CZ2-NE2 3.33Å; W115-Q117 VanDerWaalsContact NE1-CG 3.3Å
116	D	83.6	Confident	72.3	Confident	30 Å²	30	99.1 Å²	99.1	16%	0.16	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	96.8	171.4	-178	10.1	0	0	0	108.6	I86 A87 H88 Y114 D118	I86-D116 PolarHBondContact O-N 2.82Å; A87-D116 WeakPolarHBondContact CA-O 3.34Å; A87-D116 HydrophobicContact CB-CB 4.44Å; H88-D116 PolarHBondContact N-O 2.96Å; Y114-D116 HydrophobicContact CD1-CB 4.31Å; Y114-D116 HydrophobicContact CE1-CB 3.41Å; Y114-D116 VanDerWaalsContact CE1-CB 3.41Å; D116-D118 WeakPolarHBondContact OD1-CB 3.18Å; D116-D118 VanDerWaalsContact OD1-CG 3.31Å; D116-D118 PolarHBondContact OD1-N 3Å
117	Q	61.4	Low	70	Confident	60 Å²	60	101.3 Å²	101.3	28%	0.28	55%	0.545	S	S	.	.			trans	-107.2	62.1	163.7	-74.8	-167.3	-21.3	0	0	107.9	V91 W115 P119	V91-Q117 PolarHBondContact O-NE2 3.03Å; W115-Q117 HydrophobicContact CZ2-CG 3.86Å; W115-Q117 VanDerWaalsContact CZ2-NE2 3.33Å; W115-Q117 VanDerWaalsContact NE1-CG 3.3Å; Q117-P119 WeakPolarHBondContact O-CD 3.21Å; Q117-P119 VanDerWaalsContact O-N 3.11Å
118	D	53.3	Low	67.7	Low	122 Å²	122	103.1 Å²	103.1	65%	0.652	56%	0.56	S	S	*	*			trans	-60.1	111.6	153.1	-80	-18.4	0	0	0	106.6	D116	D116-D118 WeakPolarHBondContact OD1-CB 3.18Å; D116-D118 VanDerWaalsContact OD1-CG 3.31Å; D116-D118 PolarHBondContact OD1-N 3Å
119	P	50.3	Low	65.1	Low	96 Å²	96	110.8 Å²	110.8	62%	0.623	59%	0.594	S	S	*	*			trans	-55.3	138.5	159.9	15.8	-9	0	0	0	104.8	Q117 E121	Q117-P119 WeakPolarHBondContact O-CD 3.21Å; Q117-P119 VanDerWaalsContact O-N 3.11Å; P119-E121 VanDerWaalsContact C-N 3.34Å; P119-E121 PolarHBondContact O-N 3.42Å
120	P	48.1	Very low	63.1	Low	100 Å²	100	115.1 Å²	115.1	65%	0.649	61%	0.611	S	S	*	*			trans	-50.4	114.3	166.9	22.3	-30.5	0	0	0	104.6	R122	P120-R122 PolarHBondContact O-N 3.45Å
121	E	46.1	Very low	60.9	Low	183 Å²	183	110 Å²	110	86%	0.855	59%	0.592	S	S	*	*			trans	-46.8	126.9	178.3	-82.8	-154.5	150	0	0	104.4	P119 G123	P119-E121 VanDerWaalsContact C-N 3.34Å; P119-E121 PolarHBondContact O-N 3.42Å; E121-G123 PolarHBondContact O-N 2.68Å
122	R	47.9	Very low	58.6	Low	237 Å²	237	112.3 Å²	112.3	89%	0.894	61%	0.61	S	S	*	*			trans	-64.3	82.3	170.5	-168.9	-170.5	-58.6	-167.1	2.8	104.3	P120 A124	P120-R122 PolarHBondContact O-N 3.45Å; R122-A124 PolarHBondContact O-N 3.28Å
123	G	43.4	Very low	56.4	Low	66 Å²	66	115.8 Å²	115.8	68%	0.68	64%	0.636	S	S	*	*			trans	-65.7	65.4	161.4	0	0	0	0	0	106.4	E121 P125	E121-G123 PolarHBondContact O-N 2.68Å; G123-P125 WeakPolarHBondContact O-CD 3.17Å
124	A	40.8	Very low	54.6	Low	68 Å²	68	115.1 Å²	115.1	56%	0.562	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-54.2	118.5	141.3	0	0	0	0	0	103.9	R122	R122-A124 PolarHBondContact O-N 3.28Å
125	P	47.7	Very low	52.5	Low	106 Å²	106	117.5 Å²	117.5	69%	0.688	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-53.3	142.1	168.8	22.5	-29.8	0	0	0	107	G123 S127	G123-P125 WeakPolarHBondContact O-CD 3.17Å; P125-S127 PolarHBondContact O-N 3.05Å; P125-S127 VanDerWaalsContact O-N 3.1Å
126	P	42.3	Very low	50.7	Low	106 Å²	106	119.5 Å²	119.5	69%	0.688	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-49.9	127.9	174.7	18.9	-29.2	0	0	0	108	T128	P126-T128 PolarHBondContact O-N 3.18Å
127	S	49.9	Very low	49	Very low	129 Å²	129	121.3 Å²	121.3	90%	0.902	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	49.3	-173.6	68.8	0	0	0	0	112.2	P125	P125-S127 PolarHBondContact O-N 3.05Å; P125-S127 VanDerWaalsContact O-N 3.1Å
128	T	49.7	Very low	48.6	Very low	121 Å²	121	123 Å²	123	74%	0.742	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	-0.3	-179.7	1.2	0	0	0	0	112.9	P126 K130	P126-T128 PolarHBondContact O-N 3.18Å; T128-K130 PolarHBondContact O-N 3.49Å; T128-K130 VanDerWaalsContact O-N 3.13Å
129	F	43.5	Very low	48.7	Very low	169 Å²	169	124.7 Å²	124.7	74%	0.741	72%	0.723	S	S	*	*			trans	-88.3	81.9	173.4	-132.3	-94.8	0	0	0	111.7	G131	F129-G131 PolarHBondContact O-N 2.62Å; F129-G131 VanDerWaalsContact O-N 3.11Å
130	K	52.8	Low	48.8	Very low	216 Å²	216	130 Å²	130	94%	0.939	73%	0.732	S	S	*	*			trans	-79.6	77.2	162.9	-159.2	-179.8	-171.9	-174.5	0	107.8	T128	T128-K130 PolarHBondContact O-N 3.49Å; T128-K130 VanDerWaalsContact O-N 3.13Å
131	G	49.3	Very low	49.2	Very low	40 Å²	40	131.8 Å²	131.8	41%	0.412	74%	0.735	S	S	.	*			trans	-158.6	117.1	178.5	0	0	0	0	0	110.9	F129	F129-G131 PolarHBondContact O-N 2.62Å; F129-G131 VanDerWaalsContact O-N 3.11Å
132	T	47.2	Very low	49.6	Very low	127 Å²	127	126.5 Å²	126.5	78%	0.779	73%	0.73	S	S	*	*			trans	-60.9	134.8	175.9	-39.5	0	0	0	0	109.8	T134	T132-T134 PolarHBondContact O-N 2.72Å; T132-T134 VanDerWaalsContact O-N 3.07Å
133	P	48.1	Very low	49.7	Very low	129 Å²	129	122.2 Å²	122.2	84%	0.838	72%	0.724	S	S	*	*			trans	-67.1	113.7	179.1	-10.1	24.4	0	0	0	109.1
134	T	55.9	Low	50.3	Low	113 Å²	113	126.9 Å²	126.9	69%	0.693	73%	0.733	S	S	*	*			trans	-109.7	140.1	163.9	10.2	0	0	0	0	107.2	T132 E136	T132-T134 PolarHBondContact O-N 2.72Å; T132-T134 VanDerWaalsContact O-N 3.07Å; T134-E136 PolarHBondContact O-N 2.98Å
135	A	50.3	Low	50.5	Low	114 Å²	114	130 Å²	130	94%	0.942	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	20.4	-170.2	0	0	0	0	0	114.9
136	E	52.3	Low	50.6	Low	178 Å²	178	130.5 Å²	130.5	83%	0.832	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	5.9	-170.7	-56.1	-164.3	143.4	0	0	113.3	T134 P138	T134-E136 PolarHBondContact O-N 2.98Å; E136-P138 WeakPolarHBondContact O-CD 3.37Å
137	N	47.9	Very low	51.3	Low	68 Å²	68	135.6 Å²	135.6	36%	0.364	78%	0.777	S	S	.	*			trans	-81.8	113	176.4	-165.8	22.1	0	0	0	110.9	E139 Y140	N137-E139 PolarHBondContact ND2-OE2 2.8Å; N137-E139 PolarHBondContact O-N 2.72Å; N137-Y140 PolarHBondContact O-N 3.11Å
138	P	53	Low	51.4	Low	96 Å²	96	136 Å²	136	62%	0.623	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-68.9	-11.1	-176.2	26.6	-34.7	0	0	0	114.4	E136 Y140 L141	E136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-Y140 PolarHBondContact O-N 3.19Å; P138-Y140 VanDerWaalsContact O-N 3.08Å; P138-L141 PolarHBondContact O-N 3.1Å; P138-L141 VanDerWaalsContact O-N 3.12Å
139	E	55.8	Low	51.5	Low	156 Å²	156	136.7 Å²	136.7	73%	0.729	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-62.1	-14	176.1	-71.3	-175.8	127.3	0	0	114	N137	N137-E139 PolarHBondContact ND2-OE2 2.8Å; N137-E139 PolarHBondContact O-N 2.72Å
140	Y	53.5	Low	51.9	Low	208 Å²	208	134.9 Å²	134.9	82%	0.816	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-84.1	-9.2	175.6	-81.9	-78.1	0	0	0	115	N137 P138	N137-Y140 PolarHBondContact O-N 3.11Å; P138-Y140 PolarHBondContact O-N 3.19Å; P138-Y140 VanDerWaalsContact O-N 3.08Å
141	L	55.8	Low	51.9	Low	137 Å²	137	130.2 Å²	130.2	72%	0.717	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-96.3	3.2	-174.4	-79.3	164.7	0	0	0	114.7	P138 L143	P138-L141 PolarHBondContact O-N 3.1Å; P138-L141 VanDerWaalsContact O-N 3.12Å; L141-L143 PolarHBondContact O-N 3.13Å; L141-L143 VanDerWaalsContact O-N 3.13Å
142	G	54.5	Low	52	Low	72 Å²	72	135.8 Å²	135.8	74%	0.742	79%	0.786	S	S	*	*			trans	56.3	33.5	168.8	0	0	0	0	0	115
143	L	49.4	Very low	52.4	Low	147 Å²	147	136.4 Å²	136.4	77%	0.77	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.2	117.3	173.7	-69.2	170.8	0	0	0	109	L141 V145	L141-L143 PolarHBondContact O-N 3.13Å; L141-L143 VanDerWaalsContact O-N 3.13Å; L143-V145 PolarHBondContact O-N 3.07Å
144	D	55.7	Low	52.7	Low	165 Å²	165	136.9 Å²	136.9	88%	0.882	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-54.4	123.5	175	-65.6	-49.1	0	0	0	110.6
145	V	46.8	Very low	52.4	Low	134 Å²	134	138.8 Å²	138.8	81%	0.812	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-83.1	124.9	173.3	-173.5	0	0	0	0	108.1	L143	L143-V145 PolarHBondContact O-N 3.07Å
146	P	49.7	Very low	52.6	Low	115 Å²	115	140.8 Å²	140.8	75%	0.747	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-72.6	143.4	174.5	29.9	-30.3	0	0	0	110.1
147	V	56.7	Low	52.6	Low	214 Å²	214	137.5 Å²	137.5	100%	1.297	77%	0.773	S	S	*	*			trans	-63.8	0	174.6	-175.9	0	0	0	0	111.2

Retrieved 147 of 147 residues in 66.1 ms (Link to these results)

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