A0A077YWF0_TRITR Loading...

Nuclear cap-binding protein subunit 2

Component of the cap-binding complex (CBC), which binds co-transcriptionally to the 5' cap of pre-mRNAs and is involved in various processes such as pre-mRNA splicing and RNA-mediated gene silencing (RNAi). The CBC complex is involved in miRNA-mediated RNA interference and is required for primary microRNAs (miRNAs) processing. In the CBC complex, ncbp-2 recognizes and binds capped RNAs (m7GpppG-capped RNA) but requires ncbp-1 to stabilize the movement of its N-terminal loop and lock the CBC into a high affinity cap-binding state with the cap structure.

AlphaFold DB , UniProt , Accession A0A077YWF0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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	31.9	Very low	53.1	Low	249 Å²	249	138.9 Å²	138.9	100%	1.227	71%	0.705	S	S	*	*				0	125.8	0	-72.3	168.3	173.7	0	0	108.4
2	N	38.6	Very low	53.5	Low	156 Å²	156	140.7 Å²	140.7	83%	0.834	70%	0.699	S	S	*	*			trans	56.4	90.3	178.9	-134.5	-6.8	0	0	0	121.5
3	S	50.4	Low	54.2	Low	89 Å²	89	139.5 Å²	139.5	62%	0.622	68%	0.681	S	S	*	*			trans	52.9	100.1	142.3	61.8	0	0	0	0	121.8	R5	S3-R5 PolarHBondContact O-N 3.36Å
4	G	50.3	Low	55.7	Low	85 Å²	85	137.1 Å²	137.1	88%	0.876	67%	0.673	S	S	*	*			trans	-67.7	93.2	154.8	0	0	0	0	0	110.9	S6	G4-S6 PolarHBondContact O-N 3.28Å
5	R	54.7	Low	57.4	Low	133 Å²	133	135.5 Å²	135.5	50%	0.502	67%	0.669	S	S	.	*			trans	-62.1	123.2	168.3	-84.9	-176.2	178.9	157.3	7.7	109.5	S3 L10 R13	S3-R5 PolarHBondContact O-N 3.36Å; R5-L10 HydrophobicContact CB-CD1 4.4Å; R5-L10 HydrophobicContact CB-CG 4.21Å; R5-R13 VanDerWaalsContact NH2-NH1 3.15Å
6	S	65.2	Low	58.9	Low	63 Å²	63	138.5 Å²	138.5	44%	0.441	67%	0.67	S	S	.	*			trans	-54.2	137.5	173.8	166.9	0	0	0	0	111.3	G4 K8 Q9 L10	G4-S6 PolarHBondContact O-N 3.28Å; S6-K8 PolarHBondContact O-N 3.05Å; S6-K8 PolarHBondContact OG-N 3.08Å; S6-Q9 WeakPolarHBondContact O-CB 3.48Å; S6-Q9 PolarHBondContact O-N 3.18Å; S6-L10 PolarHBondContact O-N 2.85Å
7	R	62.9	Low	60.3	Low	225 Å²	225	138.4 Å²	138.4	85%	0.849	67%	0.666	S	S	*	*	H	α-helix	trans	-50.1	-32.3	175.2	-77	-178.5	177	161.4	-1.3	112.8	K11	R7-K11 PolarHBondContact O-N 3.04Å; R7-K11 VanDerWaalsContact O-N 3.08Å
8	K	57.4	Low	61.8	Low	163 Å²	163	136.1 Å²	136.1	71%	0.709	65%	0.654	S	S	*	*	H	α-helix	trans	-64.5	-43.2	174.3	-97.6	-177.7	174.5	180	0	112.1	S6 Y12	S6-K8 PolarHBondContact O-N 3.05Å; S6-K8 PolarHBondContact OG-N 3.08Å; K8-Y12 WeakPolarHBondContact O-CD2 3.44Å; K8-Y12 PolarHBondContact O-N 3.07Å
9	Q	54	Low	63.3	Low	122 Å²	122	133.8 Å²	133.8	57%	0.57	65%	0.649	S	S	*	*	H	α-helix	trans	-69	-36.1	179.3	-70.5	-178.2	16	0	0	112.3	S6 R13	S6-Q9 WeakPolarHBondContact O-CB 3.48Å; S6-Q9 PolarHBondContact O-N 3.18Å; Q9-R13 PolarHBondContact O-N 3.29Å; Q9-R13 VanDerWaalsContact O-N 3.14Å
10	L	57.7	Low	64.6	Low	78 Å²	78	134 Å²	134	41%	0.408	65%	0.647	S	S	.	*	H	α-helix	trans	-62.6	-52.2	173.8	-73.2	162.7	0	0	0	110.8	R5 S6 Y12 R13 D14	R5-L10 HydrophobicContact CB-CD1 4.4Å; R5-L10 HydrophobicContact CB-CG 4.21Å; S6-L10 PolarHBondContact O-N 2.85Å; L10-Y12 VanDerWaalsContact C-N 3.32Å; L10-Y12 PolarHBondContact O-N 3.1Å; L10-R13 WeakPolarHBondContact O-CB 3.49Å; L10-R13 PolarHBondContact O-N 3.05Å; L10-R13 VanDerWaalsContact O-N 3.1Å; L10-D14 PolarHBondContact O-N 3.14Å; L10-D14 VanDerWaalsContact O-N 3.07Å
11	K	60.7	Low	65.9	Low	165 Å²	165	133 Å²	133	72%	0.717	64%	0.637	S	S	*	*	H	α-helix	trans	-55.3	-43.1	175.7	-102.1	-170.1	172.4	-172.5	0	113.3	R7 R13 D14 N15	R7-K11 PolarHBondContact O-N 3.04Å; R7-K11 VanDerWaalsContact O-N 3.08Å; K11-R13 VanDerWaalsContact C-N 3.34Å; K11-R13 PolarHBondContact O-N 3.04Å; K11-D14 PolarHBondContact O-N 3.37Å; K11-N15 PolarHBondContact O-N 3.48Å
12	Y	57.8	Low	68.8	Low	160 Å²	160	125 Å²	125	63%	0.627	60%	0.599	S	S	*	*	H	α-helix	trans	-65.4	-35.7	179	-102.4	-85.7	0	0	0	113.1	K8 L10 R16	K8-Y12 WeakPolarHBondContact O-CD2 3.44Å; K8-Y12 PolarHBondContact O-N 3.07Å; L10-Y12 VanDerWaalsContact C-N 3.32Å; L10-Y12 PolarHBondContact O-N 3.1Å; Y12-R16 PolarHBondContact O-N 3Å
13	R	63	Low	71.5	Confident	125 Å²	125	126.3 Å²	126.3	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-65.9	-46.4	174.7	-102.9	-176.7	117.8	136.1	0.3	110.7	R5 Q9 L10 K11 N15 R16 F17	R5-R13 VanDerWaalsContact NH2-NH1 3.15Å; Q9-R13 PolarHBondContact O-N 3.29Å; Q9-R13 VanDerWaalsContact O-N 3.14Å; L10-R13 WeakPolarHBondContact O-CB 3.49Å; L10-R13 PolarHBondContact O-N 3.05Å; L10-R13 VanDerWaalsContact O-N 3.1Å; K11-R13 VanDerWaalsContact C-N 3.34Å; K11-R13 PolarHBondContact O-N 3.04Å; R13-N15 VanDerWaalsContact C-N 3.29Å; R13-N15 PolarHBondContact O-N 3.21Å; R13-R16 PolarHBondContact O-N 3.2Å; R13-F17 WeakPolarHBondContact O-CD2 3.44Å; R13-F17 PolarHBondContact O-N 3.22Å
14	D	75.3	Confident	73.7	Confident	106 Å²	106	125.8 Å²	125.8	57%	0.567	58%	0.582	S	S	*	*	H	α-helix	trans	-59	-44	179.1	-66	-17.3	0	0	0	110.9	L10 K11 R16 F17 Q18	L10-D14 PolarHBondContact O-N 3.14Å; L10-D14 VanDerWaalsContact O-N 3.07Å; K11-D14 PolarHBondContact O-N 3.37Å; D14-R16 PolarHBondContact O-N 3.11Å; D14-F17 PolarHBondContact O-N 3.04Å; D14-Q18 PolarHBondContact O-N 3.4Å
15	N	80.9	Confident	75.9	Confident	114 Å²	114	123.1 Å²	123.1	61%	0.61	55%	0.548	S	S	*	.	H	α-helix	trans	-61.9	-42	178.2	-129.7	40.8	0	0	0	112.6	K11 R13 Q18 V19	K11-N15 PolarHBondContact O-N 3.48Å; R13-N15 VanDerWaalsContact C-N 3.29Å; R13-N15 PolarHBondContact O-N 3.21Å; N15-Q18 PolarHBondContact O-N 3.39Å; N15-V19 VanDerWaalsContact O-CG2 3.31Å; N15-V19 WeakPolarHBondContact O-CG2 3.31Å; N15-V19 PolarHBondContact O-N 2.84Å
16	R	81.6	Confident	77.9	Confident	183 Å²	183	119.6 Å²	119.6	69%	0.691	54%	0.544	S	S	*	.	H	α-helix	trans	-66.9	-36.6	176.6	-77.3	-164.7	-112.9	-170.6	-5.9	112.6	Y12 R13 D14 K20	Y12-R16 PolarHBondContact O-N 3Å; R13-R16 PolarHBondContact O-N 3.2Å; D14-R16 PolarHBondContact O-N 3.11Å; R16-K20 WeakPolarHBondContact O-CB 3.43Å; R16-K20 PolarHBondContact O-N 2.91Å; R16-K20 VanDerWaalsContact O-N 3.11Å
17	F	83.4	Confident	79.3	Confident	137 Å²	137	121.9 Å²	121.9	60%	0.601	55%	0.551	S	S	*	*	H	α-helix	trans	-65.8	-44.2	175.4	-96.2	-83.8	0	0	0	111.5	R13 D14 K20 Y21	R13-F17 WeakPolarHBondContact O-CD2 3.44Å; R13-F17 PolarHBondContact O-N 3.22Å; D14-F17 PolarHBondContact O-N 3.04Å; F17-K20 PolarHBondContact O-N 3.02Å; F17-Y21 WeakPolarHBondContact O-CB 3.48Å; F17-Y21 PolarHBondContact O-N 3.27Å
18	Q	86.7	Confident	81	Confident	97 Å²	97	111.6 Å²	111.6	45%	0.453	51%	0.513	S	S	.	.	H	α-helix	trans	-60.9	-50.4	177.6	-169.4	62.2	47.8	0	0	111.4	D14 N15 K20 Y21 D22	D14-Q18 PolarHBondContact O-N 3.4Å; N15-Q18 PolarHBondContact O-N 3.39Å; Q18-K20 VanDerWaalsContact C-N 3.28Å; Q18-K20 PolarHBondContact O-N 2.88Å; Q18-Y21 WeakPolarHBondContact O-CA 3.37Å; Q18-Y21 WeakPolarHBondContact O-CB 3.44Å; Q18-Y21 PolarHBondContact O-N 3.33Å; Q18-D22 PolarHBondContact NE2-OD1 3.43Å; Q18-D22 VanDerWaalsContact O-CG 3.22Å; Q18-D22 PolarHBondContact O-N 3.06Å
19	V	90	Very high	83	Confident	93 Å²	93	105.4 Å²	105.4	56%	0.564	49%	0.489	S	S	*	.	H	α-helix	trans	-58.4	-41	178.3	172.2	0	0	0	0	111.8	N15 R23	N15-V19 VanDerWaalsContact O-CG2 3.31Å; N15-V19 WeakPolarHBondContact O-CG2 3.31Å; N15-V19 PolarHBondContact O-N 2.84Å; V19-R23 WeakPolarHBondContact O-CB 3.3Å; V19-R23 PolarHBondContact O-N 3.46Å; V19-R23 VanDerWaalsContact O-N 3.14Å
20	K	90.4	Very high	85.1	Confident	137 Å²	137	99.8 Å²	99.8	60%	0.596	46%	0.463	S	S	*	.	H	α-helix	trans	-64.8	-43.1	175.6	-174.8	-178	177.7	-176.7	0	111.3	R16 F17 Q18 R23 L24	R16-K20 WeakPolarHBondContact O-CB 3.43Å; R16-K20 PolarHBondContact O-N 2.91Å; R16-K20 VanDerWaalsContact O-N 3.11Å; F17-K20 PolarHBondContact O-N 3.02Å; Q18-K20 VanDerWaalsContact C-N 3.28Å; Q18-K20 PolarHBondContact O-N 2.88Å; K20-R23 PolarHBondContact O-N 3.14Å; K20-L24 HydrophobicContact CG-CD1 4.27Å; K20-L24 VanDerWaalsContact O-CG 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.38Å; K20-L24 PolarHBondContact O-N 2.79Å
21	Y	91.7	Very high	87.1	Confident	113 Å²	113	96 Å²	96	44%	0.443	44%	0.444	S	S	.	.	H	α-helix	trans	-62.1	-48.6	178.8	-175.8	-88.1	0	0	0	111.3	F17 Q18 R23 L24 I25 V106	F17-Y21 WeakPolarHBondContact O-CB 3.48Å; F17-Y21 PolarHBondContact O-N 3.27Å; Q18-Y21 WeakPolarHBondContact O-CA 3.37Å; Q18-Y21 WeakPolarHBondContact O-CB 3.44Å; Q18-Y21 PolarHBondContact O-N 3.33Å; Y21-R23 VanDerWaalsContact C-N 3.28Å; Y21-R23 PolarHBondContact O-N 2.9Å; Y21-L24 WeakPolarHBondContact O-CB 3.45Å; Y21-L24 PolarHBondContact O-N 2.85Å; Y21-I25 HydrophobicContact CD1-CG1 3.89Å; Y21-I25 HydrophobicContact CE1-CD1 4.15Å; Y21-I25 HydrophobicContact CE1-CG1 3.47Å; Y21-I25 VanDerWaalsContact CE1-CG1 3.47Å; Y21-I25 WeakPolarHBondContact O-CG1 3.48Å; Y21-I25 PolarHBondContact O-N 3.04Å; Y21-V106 HydrophobicContact CD2-CG1 3.54Å; Y21-V106 HydrophobicContact CE2-CG1 3.3Å; Y21-V106 HydrophobicContact CG-CG1 4.29Å
22	D	93.4	Very high	88.9	Confident	80 Å²	80	90.2 Å²	90.2	43%	0.428	42%	0.417	S	S	.	.	H	α-helix	trans	-59.3	-41.4	179.4	-62.4	-20.9	0	0	0	111.1	Q18 L24 I25 S26	Q18-D22 PolarHBondContact NE2-OD1 3.43Å; Q18-D22 VanDerWaalsContact O-CG 3.22Å; Q18-D22 PolarHBondContact O-N 3.06Å; D22-L24 PolarHBondContact O-N 3.37Å; D22-I25 PolarHBondContact O-N 3.48Å; D22-S26 WeakPolarHBondContact O-CB 3.31Å; D22-S26 PolarHBondContact O-N 3.32Å
23	R	94.4	Very high	90.8	Very high	184 Å²	184	82.6 Å²	82.6	69%	0.694	39%	0.388	S	S	*	.	H	α-helix	trans	-65.5	-35.6	175.6	-164.5	-177.5	-157.8	-153.2	5.2	113.2	V19 K20 Y21 S26	V19-R23 WeakPolarHBondContact O-CB 3.3Å; V19-R23 PolarHBondContact O-N 3.46Å; V19-R23 VanDerWaalsContact O-N 3.14Å; K20-R23 PolarHBondContact O-N 3.14Å; Y21-R23 VanDerWaalsContact C-N 3.28Å; Y21-R23 PolarHBondContact O-N 2.9Å; R23-S26 PolarHBondContact O-OG 3.07Å; R23-S26 VanDerWaalsContact O-OG 3.07Å
24	L	95.9	Very high	92.5	Very high	78 Å²	78	76.7 Å²	76.7	41%	0.408	37%	0.366	S	S	.	.	H	α-helix	trans	-69.4	-44.5	176	-72.1	169	0	0	0	110.3	K20 Y21 D22 N27 S28 V106	K20-L24 HydrophobicContact CG-CD1 4.27Å; K20-L24 VanDerWaalsContact O-CG 3.3Å; K20-L24 WeakPolarHBondContact O-CG 3.38Å; K20-L24 PolarHBondContact O-N 2.79Å; Y21-L24 WeakPolarHBondContact O-CB 3.45Å; Y21-L24 PolarHBondContact O-N 2.85Å; D22-L24 PolarHBondContact O-N 3.37Å; L24-N27 PolarHBondContact O-N 3.03Å; L24-S28 VanDerWaalsContact O-CB 3.31Å; L24-S28 WeakPolarHBondContact O-CB 3.38Å; L24-S28 PolarHBondContact O-N 3.46Å; L24-V106 HydrophobicContact CB-CB 4.14Å; L24-V106 HydrophobicContact CB-CG1 4.03Å; L24-V106 HydrophobicContact CD1-CB 4.4Å; L24-V106 HydrophobicContact CD1-CG1 4.5Å
25	I	96.9	Very high	93.6	Very high	30 Å²	30	73 Å²	73	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-42.6	177.5	-69.8	-60.8	0	0	0	111.9	Y21 D22 N27 S28 R80 W104 V106	Y21-I25 HydrophobicContact CD1-CG1 3.89Å; Y21-I25 HydrophobicContact CE1-CD1 4.15Å; Y21-I25 HydrophobicContact CE1-CG1 3.47Å; Y21-I25 VanDerWaalsContact CE1-CG1 3.47Å; Y21-I25 WeakPolarHBondContact O-CG1 3.48Å; Y21-I25 PolarHBondContact O-N 3.04Å; D22-I25 PolarHBondContact O-N 3.48Å; I25-N27 PolarHBondContact O-N 2.77Å; I25-S28 PolarHBondContact O-N 3.3Å; I25-R80 PolarHBondContact O-NH1 3.25Å; I25-W104 HydrophobicContact CD1-CB 4.01Å; I25-W104 HydrophobicContact CG2-CB 3.72Å; I25-W104 HydrophobicContact CG2-CG 4.21Å; I25-V106 HydrophobicContact CD1-CB 4.47Å; I25-V106 HydrophobicContact CD1-CG1 3.61Å; I25-V106 HydrophobicContact CG1-CG1 3.9Å
26	S	95.8	Very high	94.4	Very high	59 Å²	59	67.6 Å²	67.6	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-31.1	-177.9	73.5	0	0	0	0	112.9	D22 R23 R80	D22-S26 WeakPolarHBondContact O-CB 3.31Å; D22-S26 PolarHBondContact O-N 3.32Å; R23-S26 PolarHBondContact O-OG 3.07Å; R23-S26 VanDerWaalsContact O-OG 3.07Å; S26-R80 VanDerWaalsContact O-CZ 3.23Å; S26-R80 PolarHBondContact O-NE 3.47Å; S26-R80 PolarHBondContact O-NH1 2.8Å; S26-R80 PolarHBondContact O-NH2 2.77Å
27	N	95.9	Very high	95.2	Very high	110 Å²	110	59.5 Å²	59.5	59%	0.588	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	2.2	-176.3	-62.1	-16.7	0	0	0	113	L24 I25	L24-N27 PolarHBondContact O-N 3.03Å; I25-N27 PolarHBondContact O-N 2.77Å
28	S	98.1	Very high	95.8	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.063	27%	0.272	C	S	.	.			trans	-70	141.5	-174.1	-177.1	0	0	0	0	112.2	L24 I25 T30 R80 W104 D105	L24-S28 VanDerWaalsContact O-CB 3.31Å; L24-S28 WeakPolarHBondContact O-CB 3.38Å; L24-S28 PolarHBondContact O-N 3.46Å; I25-S28 PolarHBondContact O-N 3.3Å; S28-T30 PolarHBondContact OG-N 2.84Å; S28-T30 PolarHBondContact OG-O 3.44Å; S28-R80 WeakPolarHBondContact O-CD 3.49Å; S28-R80 PolarHBondContact O-NH1 2.8Å; S28-W104 WeakPolarHBondContact O-CZ3 3.42Å; S28-D105 WeakPolarHBondContact CB-O 2.91Å; S28-D105 PolarHBondContact OG-O 2.84Å
29	T	98.7	Very high	96.4	Very high	33 Å²	33	56.2 Å²	56.2	20%	0.202	28%	0.284	C	S	.	.			trans	-101.9	9.3	167.2	65.4	0	0	0	0	112.4	E76 Y77 R80	T29-E76 WeakPolarHBondContact O-CA 3.12Å; T29-Y77 VanDerWaalsContact CB-O 3.24Å; T29-Y77 WeakPolarHBondContact CB-O 3.44Å; T29-Y77 PolarHBondContact O-N 3.48Å; T29-Y77 PolarHBondContact OG1-O 3.49Å; T29-Y77 VanDerWaalsContact OG1-O 3.04Å; T29-R80 HydrophobicContact CG2-CB 4.39Å
30	T	98.8	Very high	96.8	Very high	4 Å²	4	52 Å²	52	3%	0.025	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.8	-177	-50.9	0	0	0	0	111.1	S28 F74 V75 D105	S28-T30 PolarHBondContact OG-N 2.84Å; S28-T30 PolarHBondContact OG-O 3.44Å; T30-F74 HydrophobicContact CG2-CB 4.18Å; T30-F74 HydrophobicContact CG2-CD1 4.32Å; T30-V75 CarbonylContact C-O 3.57Å; T30-V75 WeakPolarHBondContact CA-O 3.35Å; T30-D105 HydrophobicContact CG2-CB 4.02Å; T30-D105 PolarHBondContact O-N 3.09Å
31	L	98.9	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.2	168.5	-63.3	179.1	0	0	0	110.1	F49 F74 V75 Y77 A86 Y87 D103 W104	L31-F49 HydrophobicContact CD1-CE1 4.49Å; L31-F74 CarbonylContact O-C 3.59Å; L31-F74 VanDerWaalsContact O-CA 3.29Å; L31-F74 WeakPolarHBondContact O-CA 3.39Å; L31-V75 PolarHBondContact N-O 2.85Å; L31-V75 PolarHBondContact O-N 2.64Å; L31-Y77 HydrophobicContact CD1-CE2 4.47Å; L31-A86 HydrophobicContact CD1-CB 3.74Å; L31-Y87 HydrophobicContact CD2-CD2 4.32Å; L31-D103 CarbonylContact C-O 3.46Å; L31-D103 WeakPolarHBondContact CA-O 3.49Å; L31-W104 HydrophobicContact CD2-CD2 3.83Å; L31-W104 HydrophobicContact CD2-CE3 3.48Å; L31-W104 VanDerWaalsContact CD2-CE3 3.48Å; L31-W104 HydrophobicContact CD2-CG 4.48Å; L31-W104 HydrophobicContact CD2-CH2 4.19Å; L31-W104 HydrophobicContact CD2-CZ2 4.47Å; L31-W104 HydrophobicContact CD2-CZ3 3.67Å
32	Y	98.8	Very high	97.5	Very high	43 Å²	43	47.8 Å²	47.8	17%	0.169	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.6	157	168.1	-93	0	0	0	108.2	F72 F74 T102 D103 Q122	Y32-F72 HydrophobicContact CD2-CD2 4.05Å; Y32-F72 HydrophobicContact CE2-CB 3.73Å; Y32-F72 AromaticContact CE2-CD2 3.51Å; Y32-F72 HydrophobicContact CE2-CD2 3.51Å; Y32-F72 HydrophobicContact CE2-CE2 4.34Å; Y32-F72 AromaticContact CE2-CG 3.86Å; Y32-F72 HydrophobicContact CE2-CG 3.86Å; Y32-F74 HydrophobicContact CD2-CE1 4.08Å; Y32-F74 HydrophobicContact CD2-CZ 4.44Å; Y32-T102 CarbonylContact O-C 3.21Å; Y32-T102 WeakPolarHBondContact O-CA 3.5Å; Y32-D103 HydrophobicContact CD1-CB 4.48Å; Y32-D103 PolarHBondContact N-O 2.6Å; Y32-D103 PolarHBondContact O-N 2.75Å; Y32-Q122 PolarHBondContact OH-NE2 3.5Å; Y32-Q122 VanDerWaalsContact OH-NE2 3.07Å
33	V	98.8	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.5	174.2	-170.4	0	0	0	0	108.1	M36 F49 F72 C73 V75 I100 R101 T102	V33-M36 HydrophobicContact CB-SD 4.36Å; V33-M36 HydrophobicContact CG1-CG 4.11Å; V33-M36 HydrophobicContact CG1-SD 3.83Å; V33-F49 HydrophobicContact CB-CZ 4.24Å; V33-F49 HydrophobicContact CG1-CE2 4.14Å; V33-F49 HydrophobicContact CG1-CZ 3.78Å; V33-F49 HydrophobicContact CG2-CE1 3.75Å; V33-F49 HydrophobicContact CG2-CE2 4.14Å; V33-F49 HydrophobicContact CG2-CZ 3.38Å; V33-F72 CarbonylContact O-C 3.49Å; V33-F72 WeakPolarHBondContact O-CA 3.12Å; V33-F72 VanDerWaalsContact O-CB 3.27Å; V33-F72 WeakPolarHBondContact O-CB 3.32Å; V33-C73 PolarHBondContact N-O 3.04Å; V33-C73 PolarHBondContact O-N 3.25Å; V33-V75 HydrophobicContact CG2-CG2 3.79Å; V33-I100 HydrophobicContact CG1-CB 4.27Å; V33-I100 HydrophobicContact CG1-CD1 4.14Å; V33-R101 CarbonylContact C-O 3.59Å; V33-R101 WeakPolarHBondContact CA-O 3.23Å; V33-T102 HydrophobicContact CG1-CG2 4.39Å; V33-T102 HydrophobicContact CG2-CG2 4.24Å
34	G	98.5	Very high	97.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	175.9	-179.5	0	0	0	0	0	112.8	M36 R101	G34-M36 PolarHBondContact O-N 2.99Å; G34-R101 PolarHBondContact N-O 3.1Å; G34-R101 PolarHBondContact O-N 3.37Å
35	N	97.6	Very high	98.1	Very high	28 Å²	28	40 Å²	40	15%	0.15	22%	0.22	C	C	.	.	S	Bend	trans	65.2	18.5	-176.8	-156.1	45.1	0	0	0	115.3	R98 I99 R124	N35-R98 PolarHBondContact O-NE 2.75Å; N35-R98 PolarHBondContact OD1-NH2 3.02Å; N35-R98 VanDerWaalsContact OD1-NH2 3.1Å; N35-I99 PolarHBondContact ND2-O 2.52Å; N35-R124 PolarHBondContact OD1-NH1 3.42Å; N35-R124 PolarHBondContact OD1-NH2 3.09Å
36	M	98.3	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.			trans	-72.3	164.7	173.9	-53.6	-170.3	-45.8	0	0	112.4	V33 G34 T40 V45 M60 G71 C73 L95 I100 R135	V33-M36 HydrophobicContact CB-SD 4.36Å; V33-M36 HydrophobicContact CG1-CG 4.11Å; V33-M36 HydrophobicContact CG1-SD 3.83Å; G34-M36 PolarHBondContact O-N 2.99Å; M36-T40 HydrophobicContact SD-CG2 4.37Å; M36-V45 HydrophobicContact CE-CG2 4.4Å; M36-V45 HydrophobicContact SD-CG2 3.87Å; M36-M60 HydrophobicContact CE-CE 4.07Å; M36-G71 PolarHBondContact N-O 3.37Å; M36-C73 HydrophobicContact CE-CB 3.84Å; M36-L95 HydrophobicContact CG-CD2 4.4Å; M36-L95 HydrophobicContact SD-CD2 4.09Å; M36-I100 HydrophobicContact CG-CG2 3.95Å; M36-R135 PolarHBondContact O-NE 3.47Å; M36-R135 PolarHBondContact O-NH2 3.35Å
37	S	97.8	Very high	98.3	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	25%	0.245	C	C	.	.			trans	-72.1	155.7	170.4	-178.9	0	0	0	0	109.9	C39 T40	S37-C39 PolarHBondContact O-N 3.38Å; S37-C39 PolarHBondContact OG-N 2.94Å; S37-T40 WeakPolarHBondContact CB-OG1 3.49Å; S37-T40 PolarHBondContact N-OG1 3.48Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 3.38Å
38	F	97.4	Very high	98.4	Very high	62 Å²	62	42.5 Å²	42.5	27%	0.272	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.1	168.9	-73.5	4.3	0	0	0	112	S69 G134 R135	F38-S69 WeakPolarHBondContact O-CB 3.4Å; F38-G134 PolarHBondContact N-O 2.66Å; F38-R135 VanDerWaalsContact CE1-CD 3.41Å; F38-R135 VanDerWaalsContact CE2-C 3.44Å; F38-R135 WeakPolarHBondContact CE2-O 3Å; F38-R135 HydrophobicContact CZ-CB 4.42Å
39	C	97.3	Very high	98.4	Very high	103 Å²	103	42 Å²	42	70%	0.696	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.4	177	-57.1	0	0	0	0	113.7	S37 T41	S37-C39 PolarHBondContact O-N 3.38Å; S37-C39 PolarHBondContact OG-N 2.94Å; C39-T41 PolarHBondContact O-N 3.49Å
40	T	98.4	Very high	98.4	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.025	23%	0.23	C	C	.	.			trans	-61.5	125	178.6	-59.2	0	0	0	0	110.3	M36 S37 Q44 V45 L95 D96	M36-T40 HydrophobicContact SD-CG2 4.37Å; S37-T40 WeakPolarHBondContact CB-OG1 3.49Å; S37-T40 PolarHBondContact N-OG1 3.48Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-T40 PolarHBondContact O-OG1 3.38Å; T40-Q44 HydrophobicContact CG2-CB 4.47Å; T40-V45 HydrophobicContact CG2-CG2 3.88Å; T40-L95 HydrophobicContact CG2-CD1 4.46Å; T40-L95 HydrophobicContact CG2-CD2 3.7Å; T40-L95 HydrophobicContact CG2-CG 3.97Å; T40-D96 VanDerWaalsContact CA-OD2 3.25Å; T40-D96 WeakPolarHBondContact CA-OD2 3.41Å; T40-D96 VanDerWaalsContact CB-OD2 3.22Å; T40-D96 WeakPolarHBondContact CB-OD2 3.24Å; T40-D96 WeakPolarHBondContact CG2-OD2 3.43Å; T40-D96 PolarHBondContact OG1-OD2 3.47Å
41	T	98.3	Very high	98.4	Very high	64 Å²	64	50.4 Å²	50.4	39%	0.393	27%	0.265	S	S	.	.			trans	-90.4	161.3	-178.7	72.6	0	0	0	0	112.4	C39 D43 Q44 V45	C39-T41 PolarHBondContact O-N 3.49Å; T41-D43 VanDerWaalsContact C-N 3.26Å; T41-D43 PolarHBondContact O-N 3.36Å; T41-Q44 PolarHBondContact O-N 3.04Å; T41-Q44 WeakPolarHBondContact OG1-CG 3.22Å; T41-Q44 PolarHBondContact OG1-N 2.89Å; T41-Q44 PolarHBondContact OG1-OE1 3.1Å; T41-V45 WeakPolarHBondContact O-CG2 3.2Å; T41-V45 PolarHBondContact O-N 2.71Å
42	E	98.6	Very high	98.4	Very high	98 Å²	98	51 Å²	51	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-37.6	173.8	-174.7	170.4	172.2	0	0	111.9	Q44 V45 L46 I58 M60	E42-Q44 PolarHBondContact O-N 3.46Å; E42-V45 PolarHBondContact O-N 3.26Å; E42-L46 WeakPolarHBondContact O-CB 3Å; E42-L46 PolarHBondContact O-N 2.88Å; E42-I58 HydrophobicContact CG-CB 3.99Å; E42-I58 HydrophobicContact CG-CD1 4.16Å; E42-I58 HydrophobicContact CG-CG2 3.99Å; E42-M60 HydrophobicContact CB-CG 4.03Å; E42-M60 HydrophobicContact CB-SD 4.13Å; E42-M60 HydrophobicContact CG-CG 4.39Å; E42-M60 HydrophobicContact CG-SD 4.46Å
43	D	98.6	Very high	98.4	Very high	120 Å²	120	49.8 Å²	49.8	64%	0.642	27%	0.271	S	S	*	.	H	α-helix	trans	-63.8	-40.2	178.4	-67.1	-30.7	0	0	0	112.5	T41 L46 Q47	T41-D43 VanDerWaalsContact C-N 3.26Å; T41-D43 PolarHBondContact O-N 3.36Å; D43-L46 PolarHBondContact O-N 3.44Å; D43-Q47 WeakPolarHBondContact O-CB 3.36Å; D43-Q47 PolarHBondContact O-N 3.24Å
44	Q	98.7	Very high	98.4	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-40.5	176	-68.3	173.7	-64.9	0	0	111.4	T40 T41 E42 Q47 L48 L95 D96	T40-Q44 HydrophobicContact CG2-CB 4.47Å; T41-Q44 PolarHBondContact O-N 3.04Å; T41-Q44 WeakPolarHBondContact OG1-CG 3.22Å; T41-Q44 PolarHBondContact OG1-N 2.89Å; T41-Q44 PolarHBondContact OG1-OE1 3.1Å; E42-Q44 PolarHBondContact O-N 3.46Å; Q44-Q47 PolarHBondContact O-N 3.19Å; Q44-L48 PolarHBondContact O-N 3.41Å; Q44-L48 VanDerWaalsContact O-N 3.13Å; Q44-L95 HydrophobicContact CB-CD1 4.24Å; Q44-D96 PolarHBondContact NE2-OD1 3.32Å; Q44-D96 PolarHBondContact OE1-OD2 3.38Å
45	V	98.8	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-46.5	172.7	179.2	0	0	0	0	109.7	M36 T40 T41 E42 Q47 L48 F49 I58 M60 V75 L95	M36-V45 HydrophobicContact CE-CG2 4.4Å; M36-V45 HydrophobicContact SD-CG2 3.87Å; T40-V45 HydrophobicContact CG2-CG2 3.88Å; T41-V45 WeakPolarHBondContact O-CG2 3.2Å; T41-V45 PolarHBondContact O-N 2.71Å; E42-V45 PolarHBondContact O-N 3.26Å; V45-Q47 PolarHBondContact O-N 3.18Å; V45-L48 PolarHBondContact O-N 2.86Å; V45-F49 HydrophobicContact CG1-CD2 3.73Å; V45-F49 HydrophobicContact CG1-CE2 4.13Å; V45-F49 HydrophobicContact CG1-CG 4.42Å; V45-F49 WeakPolarHBondContact O-CB 3.32Å; V45-F49 VanDerWaalsContact O-CD2 3.31Å; V45-F49 WeakPolarHBondContact O-CD2 3.29Å; V45-F49 PolarHBondContact O-N 2.93Å; V45-I58 HydrophobicContact CB-CD1 4.1Å; V45-I58 HydrophobicContact CG1-CD1 3.82Å; V45-I58 HydrophobicContact CG1-CG1 4.46Å; V45-I58 HydrophobicContact CG1-CG2 4.22Å; V45-M60 HydrophobicContact CG2-CE 4.44Å; V45-M60 HydrophobicContact CG2-SD 4.41Å; V45-V75 HydrophobicContact CG1-CG2 3.82Å; V45-L95 HydrophobicContact CG2-CD2 4.13Å
46	L	98.8	Very high	98.4	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.366	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-46.7	179	-178	61.6	0	0	0	111.5	E42 D43 L48 S50 V55 I58	E42-L46 WeakPolarHBondContact O-CB 3Å; E42-L46 PolarHBondContact O-N 2.88Å; D43-L46 PolarHBondContact O-N 3.44Å; L46-L48 PolarHBondContact O-N 3.26Å; L46-S50 WeakPolarHBondContact O-CB 3.35Å; L46-S50 PolarHBondContact O-N 3.04Å; L46-S50 PolarHBondContact O-OG 2.71Å; L46-V55 HydrophobicContact CD1-CB 3.89Å; L46-V55 HydrophobicContact CD1-CG1 4.1Å; L46-V55 HydrophobicContact CD1-CG2 4.21Å; L46-I58 HydrophobicContact CB-CD1 3.69Å; L46-I58 HydrophobicContact CD1-CD1 4.1Å; L46-I58 HydrophobicContact CG-CD1 4.5Å
47	Q	98.5	Very high	98.4	Very high	151 Å²	151	66.5 Å²	66.5	71%	0.706	34%	0.343	S	S	*	.	H	α-helix	trans	-58.6	-50	179.5	-175.6	178.2	-2.3	0	0	111.5	D43 Q44 V45	D43-Q47 WeakPolarHBondContact O-CB 3.36Å; D43-Q47 PolarHBondContact O-N 3.24Å; Q44-Q47 PolarHBondContact O-N 3.19Å; V45-Q47 PolarHBondContact O-N 3.18Å
48	L	98.7	Very high	98.5	Very high	29 Å²	29	66.6 Å²	66.6	15%	0.152	34%	0.342	C	S	.	.	H	α-helix	trans	-65.6	-50.3	179.7	178	60.4	0	0	0	111.5	Q44 V45 L46 S50 M51 I90 L95 I100	Q44-L48 PolarHBondContact O-N 3.41Å; Q44-L48 VanDerWaalsContact O-N 3.13Å; V45-L48 PolarHBondContact O-N 2.86Å; L46-L48 PolarHBondContact O-N 3.26Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 2.76Å; L48-M51 HydrophobicContact CD1-SD 4.21Å; L48-M51 VanDerWaalsContact O-CB 3.3Å; L48-M51 WeakPolarHBondContact O-CB 3.39Å; L48-M51 WeakPolarHBondContact O-CG 3.41Å; L48-M51 PolarHBondContact O-N 3.47Å; L48-M51 VanDerWaalsContact O-N 3.16Å; L48-I90 HydrophobicContact CD1-CG2 4.35Å; L48-I90 HydrophobicContact CD2-CG2 3.99Å; L48-I90 HydrophobicContact CG-CG2 3.94Å; L48-I90 WeakPolarHBondContact O-CD1 3.36Å; L48-L95 HydrophobicContact CD2-CB 4.04Å; L48-L95 HydrophobicContact CD2-CD1 4.08Å; L48-L95 HydrophobicContact CD2-CD2 4.31Å; L48-L95 HydrophobicContact CD2-CG 4.38Å; L48-I100 HydrophobicContact CD2-CD1 3.89Å
49	F	98.8	Very high	98.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-72.3	-21.8	-174.6	-80.7	-101.3	0	0	0	113.1	L31 V33 V45 M51 A52 V55 V75 Y77 A86 I90 I100 T102	L31-F49 HydrophobicContact CD1-CE1 4.49Å; V33-F49 HydrophobicContact CB-CZ 4.24Å; V33-F49 HydrophobicContact CG1-CE2 4.14Å; V33-F49 HydrophobicContact CG1-CZ 3.78Å; V33-F49 HydrophobicContact CG2-CE1 3.75Å; V33-F49 HydrophobicContact CG2-CE2 4.14Å; V33-F49 HydrophobicContact CG2-CZ 3.38Å; V45-F49 HydrophobicContact CG1-CD2 3.73Å; V45-F49 HydrophobicContact CG1-CE2 4.13Å; V45-F49 HydrophobicContact CG1-CG 4.42Å; V45-F49 WeakPolarHBondContact O-CB 3.32Å; V45-F49 VanDerWaalsContact O-CD2 3.31Å; V45-F49 WeakPolarHBondContact O-CD2 3.29Å; V45-F49 PolarHBondContact O-N 2.93Å; F49-M51 PolarHBondContact O-N 3.43Å; F49-A52 PolarHBondContact O-N 3.35Å; F49-V55 HydrophobicContact CB-CG2 4.08Å; F49-V75 HydrophobicContact CB-CG1 4.11Å; F49-V75 HydrophobicContact CD1-CB 4.03Å; F49-V75 HydrophobicContact CD1-CG1 3.82Å; F49-V75 HydrophobicContact CD1-CG2 3.82Å; F49-V75 HydrophobicContact CD2-CG2 4.32Å; F49-V75 HydrophobicContact CE1-CB 4.38Å; F49-V75 HydrophobicContact CE1-CG2 4.06Å; F49-V75 HydrophobicContact CG-CG1 4.15Å; F49-V75 HydrophobicContact CG-CG2 3.97Å; F49-V75 HydrophobicContact CZ-CG2 4.41Å; F49-Y77 WeakPolarHBondContact CB-OH 3.44Å; F49-Y77 HydrophobicContact CD1-CE2 4.25Å; F49-Y77 VanDerWaalsContact CD1-OH 3.28Å; F49-Y77 WeakPolarHBondContact CD1-OH 3.33Å; F49-Y77 PolarHBondContact O-OH 3.38Å; F49-A86 HydrophobicContact CD1-CB 4.29Å; F49-A86 HydrophobicContact CE1-CB 4.47Å; F49-I90 HydrophobicContact CE1-CG2 4.23Å; F49-I90 HydrophobicContact CE2-CG2 4.13Å; F49-I90 HydrophobicContact CZ-CG2 3.96Å; F49-I100 HydrophobicContact CE2-CD1 3.89Å; F49-I100 HydrophobicContact CZ-CD1 3.96Å; F49-T102 HydrophobicContact CE1-CG2 4.06Å; F49-T102 HydrophobicContact CZ-CG2 3.89Å
50	S	98.6	Very high	98.6	Very high	57 Å²	57	61.5 Å²	61.5	40%	0.399	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.4	172.1	-63.8	0	0	0	0	113.2	L46 L48 A52 G53	L46-S50 WeakPolarHBondContact O-CB 3.35Å; L46-S50 PolarHBondContact O-N 3.04Å; L46-S50 PolarHBondContact O-OG 2.71Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 2.76Å; S50-A52 PolarHBondContact O-N 2.73Å; S50-G53 PolarHBondContact O-N 2.88Å
51	M	98.2	Very high	98.6	Very high	155 Å²	155	61.3 Å²	61.3	76%	0.764	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.9	175.1	-63.5	-178.6	62.6	0	0	113.2	L48 F49	L48-M51 HydrophobicContact CD1-SD 4.21Å; L48-M51 VanDerWaalsContact O-CB 3.3Å; L48-M51 WeakPolarHBondContact O-CB 3.39Å; L48-M51 WeakPolarHBondContact O-CG 3.41Å; L48-M51 PolarHBondContact O-N 3.47Å; L48-M51 VanDerWaalsContact O-N 3.16Å; F49-M51 PolarHBondContact O-N 3.43Å
52	A	98.5	Very high	98.6	Very high	13 Å²	13	60.2 Å²	60.2	11%	0.107	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-17	-179.8	0	0	0	0	0	113.9	F49 S50 Y77 N85 A86 I90	F49-A52 PolarHBondContact O-N 3.35Å; S50-A52 PolarHBondContact O-N 2.73Å; A52-Y77 HydrophobicContact CB-CE1 4.46Å; A52-N85 HydrophobicContact CB-CB 3.97Å; A52-N85 PolarHBondContact O-ND2 3.39Å; A52-A86 HydrophobicContact CB-CB 3.65Å; A52-I90 HydrophobicContact CB-CD1 3.65Å; A52-I90 HydrophobicContact CB-CG1 4.47Å
53	G	98.5	Very high	98.6	Very high	18 Å²	18	56.2 Å²	56.2	19%	0.186	28%	0.282	C	S	.	.	S	Bend	trans	149.6	-167	179.8	0	0	0	0	0	113.1	S50 V55	S50-G53 PolarHBondContact O-N 2.88Å; G53-V55 PolarHBondContact O-N 2.82Å
54	H	98.5	Very high	98.6	Very high	145 Å²	145	55.2 Å²	55.2	67%	0.671	27%	0.269	S	S	*	.			trans	-79.5	111.4	-172.2	-63.7	-73.3	0	0	0	112.1	Y77 Y78	H54-Y77 WeakPolarHBondContact O-CD1 3.42Å; H54-Y78 HydrophobicContact CB-CD2 3.82Å; H54-Y78 WeakPolarHBondContact O-CD2 3.4Å; H54-Y78 PolarHBondContact O-N 2.81Å; H54-Y78 VanDerWaalsContact O-N 3.16Å
55	V	98.8	Very high	98.5	Very high	24 Å²	24	57.7 Å²	57.7	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.9	173.7	179.6	0	0	0	0	109.4	L46 F49 G53 I58 V75 Y77	L46-V55 HydrophobicContact CD1-CB 3.89Å; L46-V55 HydrophobicContact CD1-CG1 4.1Å; L46-V55 HydrophobicContact CD1-CG2 4.21Å; F49-V55 HydrophobicContact CB-CG2 4.08Å; G53-V55 PolarHBondContact O-N 2.82Å; V55-I58 HydrophobicContact CG1-CD1 4.31Å; V55-I58 HydrophobicContact CG1-CG1 3.8Å; V55-V75 HydrophobicContact CG1-CG1 4.04Å; V55-V75 HydrophobicContact CG2-CG1 4.16Å; V55-Y77 HydrophobicContact CG2-CD1 4.29Å; V55-Y77 HydrophobicContact CG2-CE1 3.77Å
56	K	98.7	Very high	98.3	Very high	99 Å²	99	65.1 Å²	65.1	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-43.5	176	176.2	178.7	171.1	-165.9	0	111.7	E76 Y78	K56-E76 WeakPolarHBondContact CA-O 3.35Å; K56-E76 VanDerWaalsContact CB-O 3.32Å; K56-E76 WeakPolarHBondContact CB-O 3.41Å; K56-E76 HydrophobicContact CD-CG 4.22Å; K56-E76 WeakPolarHBondContact CD-OE1 3.3Å; K56-E76 WeakPolarHBondContact CE-OE1 3.2Å; K56-E76 PolarHBondContact N-O 3.29Å; K56-E76 IonicContact NZ-OE1 3.54Å; K56-E76 PolarHBondContact NZ-OE1 3.23Å; K56-Y78 VanDerWaalsContact CA-CE2 3.45Å; K56-Y78 HydrophobicContact CB-CD1 4.12Å; K56-Y78 HydrophobicContact CB-CD2 3.88Å; K56-Y78 HydrophobicContact CB-CE1 4.06Å; K56-Y78 HydrophobicContact CB-CE2 3.82Å; K56-Y78 HydrophobicContact CB-CG 4.03Å; K56-Y78 HydrophobicContact CD-CD1 4.21Å; K56-Y78 HydrophobicContact CD-CE1 4.17Å; K56-Y78 HydrophobicContact CG-CD1 4.18Å; K56-Y78 HydrophobicContact CG-CE1 3.82Å; K56-Y78 HydrophobicContact CG-CE2 4.35Å
57	R	98.7	Very high	98.3	Very high	111 Å²	111	67.5 Å²	67.5	42%	0.419	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	159.2	172.7	59.6	175.6	178.5	179.4	-1.1	111.2	I59 E76	R57-I59 HydrophobicContact CG-CD1 3.99Å; R57-E76 HydrophobicContact CG-CB 3.99Å; R57-E76 IonicContact CZ-OE2 2.84Å; R57-E76 PolarHBondContact N-O 2.93Å; R57-E76 IonicContact NE-OE2 3.57Å; R57-E76 PolarHBondContact NE-OE2 3.16Å; R57-E76 IonicContact NH2-OE2 3.44Å; R57-E76 PolarHBondContact NH2-OE2 2.87Å; R57-E76 PolarHBondContact O-N 3.38Å
58	I	98.8	Very high	98.2	Very high	15 Å²	15	64 Å²	64	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.3	169.5	-59.9	170.6	0	0	0	107.9	E42 V45 L46 V55 M60 C73 F74 V75	E42-I58 HydrophobicContact CG-CB 3.99Å; E42-I58 HydrophobicContact CG-CD1 4.16Å; E42-I58 HydrophobicContact CG-CG2 3.99Å; V45-I58 HydrophobicContact CB-CD1 4.1Å; V45-I58 HydrophobicContact CG1-CD1 3.82Å; V45-I58 HydrophobicContact CG1-CG1 4.46Å; V45-I58 HydrophobicContact CG1-CG2 4.22Å; L46-I58 HydrophobicContact CB-CD1 3.69Å; L46-I58 HydrophobicContact CD1-CD1 4.1Å; L46-I58 HydrophobicContact CG-CD1 4.5Å; V55-I58 HydrophobicContact CG1-CD1 4.31Å; V55-I58 HydrophobicContact CG1-CG1 3.8Å; I58-M60 HydrophobicContact CG2-SD 3.81Å; I58-C73 HydrophobicContact CG2-CB 4.31Å; I58-F74 CarbonylContact C-O 3.48Å; I58-F74 WeakPolarHBondContact CA-O 3.43Å; I58-V75 HydrophobicContact CG1-CG2 4.42Å
59	I	98.7	Very high	98.1	Very high	25 Å²	25	63.9 Å²	63.9	13%	0.128	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	105.7	170.6	-54	89.6	0	0	0	108.2	R57 C73 F74 F108 Q113	R57-I59 HydrophobicContact CG-CD1 3.99Å; I59-C73 CarbonylContact O-C 3.55Å; I59-C73 VanDerWaalsContact O-CA 3.25Å; I59-C73 WeakPolarHBondContact O-CA 3.21Å; I59-C73 WeakPolarHBondContact O-CB 3.45Å; I59-F74 HydrophobicContact CB-CB 4.34Å; I59-F74 HydrophobicContact CB-CD2 4.33Å; I59-F74 HydrophobicContact CD1-CB 4.19Å; I59-F74 PolarHBondContact N-O 2.97Å; I59-F74 PolarHBondContact O-N 3.16Å; I59-F108 HydrophobicContact CB-CD2 4.25Å; I59-F108 HydrophobicContact CB-CE2 4.13Å; I59-F108 HydrophobicContact CD1-CB 4.17Å; I59-F108 HydrophobicContact CD1-CD1 4.35Å; I59-F108 HydrophobicContact CD1-CD2 4.22Å; I59-F108 HydrophobicContact CD1-CG 3.97Å; I59-F108 HydrophobicContact CG1-CD1 4.26Å; I59-F108 HydrophobicContact CG1-CD2 4.15Å; I59-F108 HydrophobicContact CG1-CE1 4.35Å; I59-F108 HydrophobicContact CG1-CE2 4.25Å; I59-F108 HydrophobicContact CG1-CG 4.15Å; I59-F108 HydrophobicContact CG1-CZ 4.34Å; I59-F108 HydrophobicContact CG2-CD2 4.22Å; I59-F108 HydrophobicContact CG2-CE2 3.6Å; I59-F108 HydrophobicContact CG2-CZ 3.77Å; I59-Q113 HydrophobicContact CG2-CB 3.8Å
60	M	98.7	Very high	98.1	Very high	33 Å²	33	64 Å²	64	16%	0.163	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.7	177.1	-61.1	-55.8	-76.2	0	0	111.2	M36 E42 V45 I58 C73	M36-M60 HydrophobicContact CE-CE 4.07Å; E42-M60 HydrophobicContact CB-CG 4.03Å; E42-M60 HydrophobicContact CB-SD 4.13Å; E42-M60 HydrophobicContact CG-CG 4.39Å; E42-M60 HydrophobicContact CG-SD 4.46Å; V45-M60 HydrophobicContact CG2-CE 4.44Å; V45-M60 HydrophobicContact CG2-SD 4.41Å; I58-M60 HydrophobicContact CG2-SD 3.81Å; M60-C73 HydrophobicContact SD-CB 3.7Å
61	G	98.7	Very high	98	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.8	173.7	0	0	0	0	0	110.4	S69 C70 F72 Q113	G61-S69 WeakPolarHBondContact O-CA 3.34Å; G61-C70 PolarHBondContact O-N 2.64Å; G61-C70 PolarHBondContact O-SG 2.85Å; G61-C70 VanDerWaalsContact O-SG 3.38Å; G61-F72 VanDerWaalsContact CA-CZ 3.49Å; G61-F72 WeakPolarHBondContact CA-O 3.28Å; G61-F72 PolarHBondContact N-O 2.75Å; G61-Q113 CarbonylContact C-O 3.56Å; G61-Q113 WeakPolarHBondContact CA-O 3.49Å
62	I	98.3	Very high	98.1	Very high	41 Å²	41	54.3 Å²	54.3	21%	0.21	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.9	-172.1	54.5	172.9	0	0	0	112.2	R64 T68 Q113 Y114 G115	I62-R64 PolarHBondContact O-N 2.93Å; I62-T68 CarbonylContact C-O 3.59Å; I62-T68 VanDerWaalsContact CA-O 3.23Å; I62-T68 WeakPolarHBondContact CA-O 3.29Å; I62-Q113 HydrophobicContact CD1-CG 4Å; I62-Q113 HydrophobicContact CG1-CB 4.41Å; I62-Q113 HydrophobicContact CG1-CG 3.95Å; I62-Q113 PolarHBondContact N-O 3.16Å; I62-Y114 HydrophobicContact CD1-CD1 3.79Å; I62-Y114 HydrophobicContact CD1-CE1 3.34Å; I62-Y114 HydrophobicContact CG1-CD1 3.68Å; I62-Y114 HydrophobicContact CG1-CE1 3.81Å; I62-Y114 CarbonylContact O-C 3.51Å; I62-Y114 WeakPolarHBondContact O-CA 3.17Å; I62-G115 PolarHBondContact O-N 3.02Å
63	D	98.2	Very high	98.1	Very high	14 Å²	14	53.7 Å²	53.7	8%	0.075	26%	0.256	C	S	.	.			trans	-59.2	127.4	169.6	-173.9	-62.5	0	0	0	109.4	I65 K66 K67 T68 G120 G121	D63-I65 PolarHBondContact O-N 2.95Å; D63-I65 WeakPolarHBondContact OD1-CA 3.16Å; D63-I65 WeakPolarHBondContact OD1-CB 3.3Å; D63-I65 PolarHBondContact OD1-N 3.32Å; D63-K66 HydrophobicContact CB-CB 4.12Å; D63-K66 PolarHBondContact OD1-N 2.87Å; D63-K67 WeakPolarHBondContact O-CA 3.47Å; D63-K67 PolarHBondContact O-N 3.41Å; D63-T68 PolarHBondContact N-O 2.69Å; D63-G120 WeakPolarHBondContact CA-O 3.48Å; D63-G120 VanDerWaalsContact CG-C 3.47Å; D63-G121 PolarHBondContact OD2-N 2.84Å; D63-G121 VanDerWaalsContact OD2-N 3.1Å
64	R	98.1	Very high	98.1	Very high	100 Å²	100	53 Å²	53	38%	0.377	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.9	-176.4	-169.3	173.2	63.3	-111.1	0.2	113	I62 K67 Y114 G115 G117 G120	I62-R64 PolarHBondContact O-N 2.93Å; R64-K67 WeakPolarHBondContact O-CE 3.4Å; R64-K67 PolarHBondContact O-NZ 3.06Å; R64-Y114 HydrophobicContact CB-CD1 4.36Å; R64-Y114 HydrophobicContact CB-CG 4.44Å; R64-Y114 HydrophobicContact CG-CD1 4.35Å; R64-Y114 HydrophobicContact CG-CG 4.23Å; R64-G115 PolarHBondContact NH1-O 2.65Å; R64-G117 PolarHBondContact NH1-O 3.28Å; R64-G117 PolarHBondContact NH2-O 3.4Å; R64-G117 VanDerWaalsContact NH2-O 3.16Å; R64-G120 PolarHBondContact N-O 2.8Å
65	I	96.7	Very high	98.1	Very high	111 Å²	111	46.1 Å²	46.1	57%	0.569	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-61	-176.5	-56	177.5	0	0	0	109.9	D63 K67	D63-I65 PolarHBondContact O-N 2.95Å; D63-I65 WeakPolarHBondContact OD1-CA 3.16Å; D63-I65 WeakPolarHBondContact OD1-CB 3.3Å; D63-I65 PolarHBondContact OD1-N 3.32Å; I65-K67 VanDerWaalsContact C-N 3.28Å; I65-K67 PolarHBondContact O-N 3.39Å
66	K	95.8	Very high	98.1	Very high	157 Å²	157	45.8 Å²	45.8	68%	0.683	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.2	-173.6	-62.7	-179.8	-179.2	179.4	0	113.8	D63 T68	D63-K66 HydrophobicContact CB-CB 4.12Å; D63-K66 PolarHBondContact OD1-N 2.87Å; K66-T68 HydrophobicContact CB-CG2 4.33Å; K66-T68 PolarHBondContact O-N 3.03Å
67	K	97.2	Very high	98.1	Very high	119 Å²	119	41.1 Å²	41.1	52%	0.517	19%	0.192	S	C	.	.			trans	58.6	23.6	-175.8	-50.6	-53.9	-172.4	-169.9	0	114.4	D63 R64 I65	D63-K67 WeakPolarHBondContact O-CA 3.47Å; D63-K67 PolarHBondContact O-N 3.41Å; R64-K67 WeakPolarHBondContact O-CE 3.4Å; R64-K67 PolarHBondContact O-NZ 3.06Å; I65-K67 VanDerWaalsContact C-N 3.28Å; I65-K67 PolarHBondContact O-N 3.39Å
68	T	97	Very high	98.1	Very high	78 Å²	78	43.3 Å²	43.3	48%	0.479	20%	0.202	S	C	.	.	S	Bend	trans	-96.8	163.4	173.4	55.4	0	0	0	0	111	I62 D63 K66	I62-T68 CarbonylContact C-O 3.59Å; I62-T68 VanDerWaalsContact CA-O 3.23Å; I62-T68 WeakPolarHBondContact CA-O 3.29Å; D63-T68 PolarHBondContact N-O 2.69Å; K66-T68 HydrophobicContact CB-CG2 4.33Å; K66-T68 PolarHBondContact O-N 3.03Å
69	S	97.3	Very high	98.1	Very high	27 Å²	27	44.4 Å²	44.4	19%	0.189	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	140.8	171.6	-177.9	0	0	0	0	110.9	F38 G61	F38-S69 WeakPolarHBondContact O-CB 3.4Å; G61-S69 WeakPolarHBondContact O-CA 3.34Å
70	C	97.4	Very high	98.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	31.1	176.3	63.3	0	0	0	0	112.4	G61 F72 Q122	G61-C70 PolarHBondContact O-N 2.64Å; G61-C70 PolarHBondContact O-SG 2.85Å; G61-C70 VanDerWaalsContact O-SG 3.38Å; C70-F72 PolarHBondContact O-N 2.94Å; C70-F72 VanDerWaalsContact SG-CD1 3.56Å; C70-F72 WeakPolarHBondContact SG-CE1 3.32Å; C70-Q122 HydrophobicContact CB-CG 4.43Å; C70-Q122 VanDerWaalsContact O-CG 3.28Å; C70-Q122 WeakPolarHBondContact O-CG 3.49Å; C70-Q122 PolarHBondContact O-OE1 2.75Å
71	G	98	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.6	26.2	165.1	0	0	0	0	0	115.2	M36 R135	M36-G71 PolarHBondContact N-O 3.37Å; G71-R135 PolarHBondContact O-NH2 3.01Å
72	F	98.7	Very high	98.1	Very high	9 Å²	9	54.4 Å²	54.4	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.9	166.8	79.9	-85.1	0	0	0	110.7	Y32 V33 G61 C70 F74 Q113 Q122	Y32-F72 HydrophobicContact CD2-CD2 4.05Å; Y32-F72 HydrophobicContact CE2-CB 3.73Å; Y32-F72 AromaticContact CE2-CD2 3.51Å; Y32-F72 HydrophobicContact CE2-CD2 3.51Å; Y32-F72 HydrophobicContact CE2-CE2 4.34Å; Y32-F72 AromaticContact CE2-CG 3.86Å; Y32-F72 HydrophobicContact CE2-CG 3.86Å; V33-F72 CarbonylContact O-C 3.49Å; V33-F72 WeakPolarHBondContact O-CA 3.12Å; V33-F72 VanDerWaalsContact O-CB 3.27Å; V33-F72 WeakPolarHBondContact O-CB 3.32Å; G61-F72 VanDerWaalsContact CA-CZ 3.49Å; G61-F72 WeakPolarHBondContact CA-O 3.28Å; G61-F72 PolarHBondContact N-O 2.75Å; C70-F72 PolarHBondContact O-N 2.94Å; C70-F72 VanDerWaalsContact SG-CD1 3.56Å; C70-F72 WeakPolarHBondContact SG-CE1 3.32Å; F72-F74 HydrophobicContact CD2-CE2 4.32Å; F72-F74 HydrophobicContact CE2-CD2 4.4Å; F72-F74 AromaticContact CE2-CE2 3.64Å; F72-F74 HydrophobicContact CE2-CE2 3.64Å; F72-F74 AromaticContact CE2-CZ 3.99Å; F72-F74 HydrophobicContact CE2-CZ 3.99Å; F72-Q113 WeakPolarHBondContact CZ-O 3.35Å; F72-Q122 VanDerWaalsContact CD1-CD 3.47Å; F72-Q122 HydrophobicContact CD1-CG 3.76Å; F72-Q122 HydrophobicContact CE1-CG 4.17Å
73	C	98.9	Very high	98.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	176.4	168.9	68.6	0	0	0	0	110.8	V33 M36 I58 I59 M60	V33-C73 PolarHBondContact N-O 3.04Å; V33-C73 PolarHBondContact O-N 3.25Å; M36-C73 HydrophobicContact CE-CB 3.84Å; I58-C73 HydrophobicContact CG2-CB 4.31Å; I59-C73 CarbonylContact O-C 3.55Å; I59-C73 VanDerWaalsContact O-CA 3.25Å; I59-C73 WeakPolarHBondContact O-CA 3.21Å; I59-C73 WeakPolarHBondContact O-CB 3.45Å; M60-C73 HydrophobicContact SD-CB 3.7Å
74	F	98.9	Very high	98.1	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.4	165	-58.5	-84.8	0	0	0	109.1	T30 L31 Y32 I58 I59 F72 D105 F108 R112	T30-F74 HydrophobicContact CG2-CB 4.18Å; T30-F74 HydrophobicContact CG2-CD1 4.32Å; L31-F74 CarbonylContact O-C 3.59Å; L31-F74 VanDerWaalsContact O-CA 3.29Å; L31-F74 WeakPolarHBondContact O-CA 3.39Å; Y32-F74 HydrophobicContact CD2-CE1 4.08Å; Y32-F74 HydrophobicContact CD2-CZ 4.44Å; I58-F74 CarbonylContact C-O 3.48Å; I58-F74 WeakPolarHBondContact CA-O 3.43Å; I59-F74 HydrophobicContact CB-CB 4.34Å; I59-F74 HydrophobicContact CB-CD2 4.33Å; I59-F74 HydrophobicContact CD1-CB 4.19Å; I59-F74 PolarHBondContact N-O 2.97Å; I59-F74 PolarHBondContact O-N 3.16Å; F72-F74 HydrophobicContact CD2-CE2 4.32Å; F72-F74 HydrophobicContact CE2-CD2 4.4Å; F72-F74 AromaticContact CE2-CE2 3.64Å; F72-F74 HydrophobicContact CE2-CE2 3.64Å; F72-F74 AromaticContact CE2-CZ 3.99Å; F72-F74 HydrophobicContact CE2-CZ 3.99Å; F74-D105 HydrophobicContact CD1-CB 4.47Å; F74-D105 WeakPolarHBondContact CE1-OD2 3.11Å; F74-F108 AromaticContact CD2-CD2 3.73Å; F74-F108 HydrophobicContact CD2-CD2 3.73Å; F74-F108 HydrophobicContact CD2-CE2 4.09Å; F74-F108 HydrophobicContact CE2-CD2 4.05Å; F74-F108 HydrophobicContact CE2-CE2 4.2Å; F74-F108 HydrophobicContact CG-CD2 4.2Å; F74-R112 HydrophobicContact CE2-CB 4.2Å; F74-R112 WeakPolarHBondContact CE2-O 3.14Å; F74-R112 HydrophobicContact CZ-CB 4.15Å
75	V	98.9	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.1	172.2	-179.1	0	0	0	0	107.6	T30 L31 V33 V45 F49 V55 I58 Y77	T30-V75 CarbonylContact C-O 3.57Å; T30-V75 WeakPolarHBondContact CA-O 3.35Å; L31-V75 PolarHBondContact N-O 2.85Å; L31-V75 PolarHBondContact O-N 2.64Å; V33-V75 HydrophobicContact CG2-CG2 3.79Å; V45-V75 HydrophobicContact CG1-CG2 3.82Å; F49-V75 HydrophobicContact CB-CG1 4.11Å; F49-V75 HydrophobicContact CD1-CB 4.03Å; F49-V75 HydrophobicContact CD1-CG1 3.82Å; F49-V75 HydrophobicContact CD1-CG2 3.82Å; F49-V75 HydrophobicContact CD2-CG2 4.32Å; F49-V75 HydrophobicContact CE1-CB 4.38Å; F49-V75 HydrophobicContact CE1-CG2 4.06Å; F49-V75 HydrophobicContact CG-CG1 4.15Å; F49-V75 HydrophobicContact CG-CG2 3.97Å; F49-V75 HydrophobicContact CZ-CG2 4.41Å; V55-V75 HydrophobicContact CG1-CG1 4.04Å; V55-V75 HydrophobicContact CG2-CG1 4.16Å; I58-V75 HydrophobicContact CG1-CG2 4.42Å; V75-Y77 HydrophobicContact CG1-CD2 4.12Å; V75-Y77 HydrophobicContact CG1-CE2 3.66Å
76	E	98.9	Very high	98.3	Very high	17 Å²	17	47.5 Å²	47.5	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.2	174.1	-171.7	179.1	157.7	0	0	108.7	T29 K56 R57	T29-E76 WeakPolarHBondContact O-CA 3.12Å; K56-E76 WeakPolarHBondContact CA-O 3.35Å; K56-E76 VanDerWaalsContact CB-O 3.32Å; K56-E76 WeakPolarHBondContact CB-O 3.41Å; K56-E76 HydrophobicContact CD-CG 4.22Å; K56-E76 WeakPolarHBondContact CD-OE1 3.3Å; K56-E76 WeakPolarHBondContact CE-OE1 3.2Å; K56-E76 PolarHBondContact N-O 3.29Å; K56-E76 IonicContact NZ-OE1 3.54Å; K56-E76 PolarHBondContact NZ-OE1 3.23Å; R57-E76 HydrophobicContact CG-CB 3.99Å; R57-E76 IonicContact CZ-OE2 2.84Å; R57-E76 PolarHBondContact N-O 2.93Å; R57-E76 IonicContact NE-OE2 3.57Å; R57-E76 PolarHBondContact NE-OE2 3.16Å; R57-E76 IonicContact NH2-OE2 3.44Å; R57-E76 PolarHBondContact NH2-OE2 2.87Å; R57-E76 PolarHBondContact O-N 3.38Å
77	Y	98.9	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	159.5	172.9	-74.3	-87.3	0	0	0	111.4	T29 L31 F49 A52 H54 V55 V75 S79 D82 A83 A86	T29-Y77 VanDerWaalsContact CB-O 3.24Å; T29-Y77 WeakPolarHBondContact CB-O 3.44Å; T29-Y77 PolarHBondContact O-N 3.48Å; T29-Y77 PolarHBondContact OG1-O 3.49Å; T29-Y77 VanDerWaalsContact OG1-O 3.04Å; L31-Y77 HydrophobicContact CD1-CE2 4.47Å; F49-Y77 WeakPolarHBondContact CB-OH 3.44Å; F49-Y77 HydrophobicContact CD1-CE2 4.25Å; F49-Y77 VanDerWaalsContact CD1-OH 3.28Å; F49-Y77 WeakPolarHBondContact CD1-OH 3.33Å; F49-Y77 PolarHBondContact O-OH 3.38Å; A52-Y77 HydrophobicContact CB-CE1 4.46Å; H54-Y77 WeakPolarHBondContact O-CD1 3.42Å; V55-Y77 HydrophobicContact CG2-CD1 4.29Å; V55-Y77 HydrophobicContact CG2-CE1 3.77Å; V75-Y77 HydrophobicContact CG1-CD2 4.12Å; V75-Y77 HydrophobicContact CG1-CE2 3.66Å; Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 WeakPolarHBondContact CB-O 3.32Å; Y77-D82 HydrophobicContact CD1-CB 3.44Å; Y77-D82 VanDerWaalsContact CD1-CB 3.44Å; Y77-D82 HydrophobicContact CE1-CB 4.04Å; Y77-D82 HydrophobicContact CG-CB 3.9Å; Y77-A83 HydrophobicContact CD2-CB 3.72Å; Y77-A83 HydrophobicContact CE2-CB 4.45Å; Y77-A83 HydrophobicContact CG-CB 4.26Å; Y77-A86 HydrophobicContact CE2-CB 3.7Å; Y77-A86 VanDerWaalsContact OH-CB 3.29Å; Y77-A86 WeakPolarHBondContact OH-CB 3.39Å
78	Y	98.5	Very high	98.5	Very high	157 Å²	157	42.9 Å²	42.9	62%	0.616	20%	0.2	S	C	*	.	S	Bend	trans	-68.8	-33.1	169	-76.8	-77.6	0	0	0	112.5	H54 K56	H54-Y78 HydrophobicContact CB-CD2 3.82Å; H54-Y78 WeakPolarHBondContact O-CD2 3.4Å; H54-Y78 PolarHBondContact O-N 2.81Å; H54-Y78 VanDerWaalsContact O-N 3.16Å; K56-Y78 VanDerWaalsContact CA-CE2 3.45Å; K56-Y78 HydrophobicContact CB-CD1 4.12Å; K56-Y78 HydrophobicContact CB-CD2 3.88Å; K56-Y78 HydrophobicContact CB-CE1 4.06Å; K56-Y78 HydrophobicContact CB-CE2 3.82Å; K56-Y78 HydrophobicContact CB-CG 4.03Å; K56-Y78 HydrophobicContact CD-CD1 4.21Å; K56-Y78 HydrophobicContact CD-CE1 4.17Å; K56-Y78 HydrophobicContact CG-CD1 4.18Å; K56-Y78 HydrophobicContact CG-CE1 3.82Å; K56-Y78 HydrophobicContact CG-CE2 4.35Å
79	S	98.4	Very high	98.5	Very high	38 Å²	38	47.1 Å²	47.1	27%	0.266	21%	0.208	S	C	.	.	S	Bend	trans	-123.1	150.5	-178.2	85.8	0	0	0	0	112.5	Y77 R81 D82 A83	Y77-S79 VanDerWaalsContact C-N 3.33Å; Y77-S79 WeakPolarHBondContact CB-O 3.32Å; S79-R81 VanDerWaalsContact C-N 3.28Å; S79-R81 PolarHBondContact O-N 3.27Å; S79-D82 PolarHBondContact O-N 3.39Å; S79-D82 PolarHBondContact OG-N 3.17Å; S79-D82 VanDerWaalsContact OG-N 3.1Å; S79-D82 PolarHBondContact OG-OD1 2.86Å; S79-D82 PolarHBondContact OG-OD2 2.98Å; S79-A83 PolarHBondContact O-N 3.39Å
80	R	98.3	Very high	98.6	Very high	57 Å²	57	46.3 Å²	46.3	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-39.3	172.6	172.6	62.5	-176.5	-158.7	-1.4	111.2	I25 S26 S28 T29 D82 A83 E84 W104	I25-R80 PolarHBondContact O-NH1 3.25Å; S26-R80 VanDerWaalsContact O-CZ 3.23Å; S26-R80 PolarHBondContact O-NE 3.47Å; S26-R80 PolarHBondContact O-NH1 2.8Å; S26-R80 PolarHBondContact O-NH2 2.77Å; S28-R80 WeakPolarHBondContact O-CD 3.49Å; S28-R80 PolarHBondContact O-NH1 2.8Å; T29-R80 HydrophobicContact CG2-CB 4.39Å; R80-D82 VanDerWaalsContact C-N 3.32Å; R80-D82 PolarHBondContact O-N 2.89Å; R80-A83 WeakPolarHBondContact O-CB 3.25Å; R80-A83 PolarHBondContact O-N 3.24Å; R80-E84 HydrophobicContact CG-CG 4.34Å; R80-E84 WeakPolarHBondContact CG-OE1 3.27Å; R80-E84 IonicContact CZ-OE1 2.76Å; R80-E84 IonicContact NE-OE1 2.73Å; R80-E84 PolarHBondContact NE-OE1 3.07Å; R80-E84 IonicContact NH2-OE1 2.71Å; R80-E84 WeakPolarHBondContact O-CG 3.38Å; R80-E84 PolarHBondContact O-N 3.32Å; R80-W104 VanDerWaalsContact CZ-CZ3 3.41Å
81	R	98.5	Very high	98.7	Very high	183 Å²	183	47.7 Å²	47.7	69%	0.691	21%	0.209	S	C	*	.	H	α-helix	trans	-58.8	-42.7	180	-177.2	-179.9	177.4	-176.1	-1.8	111.8	S79 E84 N85	S79-R81 VanDerWaalsContact C-N 3.28Å; S79-R81 PolarHBondContact O-N 3.27Å; R81-E84 PolarHBondContact O-N 3.02Å; R81-N85 VanDerWaalsContact O-CG 3.31Å; R81-N85 PolarHBondContact O-N 2.91Å
82	D	98.8	Very high	98.7	Very high	28 Å²	28	56 Å²	56	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-38.9	178.6	-57.8	-29.2	0	0	0	111.4	Y77 S79 R80 E84 N85 A86	Y77-D82 HydrophobicContact CD1-CB 3.44Å; Y77-D82 VanDerWaalsContact CD1-CB 3.44Å; Y77-D82 HydrophobicContact CE1-CB 4.04Å; Y77-D82 HydrophobicContact CG-CB 3.9Å; S79-D82 PolarHBondContact O-N 3.39Å; S79-D82 PolarHBondContact OG-N 3.17Å; S79-D82 VanDerWaalsContact OG-N 3.1Å; S79-D82 PolarHBondContact OG-OD1 2.86Å; S79-D82 PolarHBondContact OG-OD2 2.98Å; R80-D82 VanDerWaalsContact C-N 3.32Å; R80-D82 PolarHBondContact O-N 2.89Å; D82-E84 VanDerWaalsContact C-N 3.32Å; D82-E84 PolarHBondContact O-N 3.18Å; D82-N85 WeakPolarHBondContact O-CB 3.33Å; D82-N85 PolarHBondContact O-N 2.77Å; D82-A86 PolarHBondContact O-N 2.85Å
83	A	98.8	Very high	98.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-36.7	173.3	0	0	0	0	0	112	Y77 S79 R80 A86 Y87 W104	Y77-A83 HydrophobicContact CD2-CB 3.72Å; Y77-A83 HydrophobicContact CE2-CB 4.45Å; Y77-A83 HydrophobicContact CG-CB 4.26Å; S79-A83 PolarHBondContact O-N 3.39Å; R80-A83 WeakPolarHBondContact O-CB 3.25Å; R80-A83 PolarHBondContact O-N 3.24Å; A83-A86 PolarHBondContact O-N 3.44Å; A83-Y87 WeakPolarHBondContact O-CB 3.19Å; A83-Y87 PolarHBondContact O-N 3.17Å; A83-W104 HydrophobicContact CB-CH2 3.77Å; A83-W104 HydrophobicContact CB-CZ3 3.64Å
84	E	98.7	Very high	98.6	Very high	76 Å²	76	62.6 Å²	62.6	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-42.5	174.8	-74.2	172.1	174.4	0	0	111.5	R80 R81 D82 A86 Y87 N88 W104	R80-E84 HydrophobicContact CG-CG 4.34Å; R80-E84 WeakPolarHBondContact CG-OE1 3.27Å; R80-E84 IonicContact CZ-OE1 2.76Å; R80-E84 IonicContact NE-OE1 2.73Å; R80-E84 PolarHBondContact NE-OE1 3.07Å; R80-E84 IonicContact NH2-OE1 2.71Å; R80-E84 WeakPolarHBondContact O-CG 3.38Å; R80-E84 PolarHBondContact O-N 3.32Å; R81-E84 PolarHBondContact O-N 3.02Å; D82-E84 VanDerWaalsContact C-N 3.32Å; D82-E84 PolarHBondContact O-N 3.18Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 3.22Å; E84-Y87 PolarHBondContact O-N 3.36Å; E84-N88 WeakPolarHBondContact O-CB 3.28Å; E84-N88 PolarHBondContact O-N 2.99Å; E84-N88 PolarHBondContact O-ND2 2.87Å; E84-W104 HydrophobicContact CB-CH2 4.38Å; E84-W104 HydrophobicContact CB-CZ2 4.48Å; E84-W104 HydrophobicContact CG-CH2 3.64Å; E84-W104 HydrophobicContact CG-CZ2 3.73Å
85	N	98.8	Very high	98.6	Very high	45 Å²	45	63 Å²	63	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-46	172.1	-69.2	-22.3	0	0	0	110.9	A52 R81 D82 Y87 N88 Y89	A52-N85 HydrophobicContact CB-CB 3.97Å; A52-N85 PolarHBondContact O-ND2 3.39Å; R81-N85 VanDerWaalsContact O-CG 3.31Å; R81-N85 PolarHBondContact O-N 2.91Å; D82-N85 WeakPolarHBondContact O-CB 3.33Å; D82-N85 PolarHBondContact O-N 2.77Å; N85-Y87 PolarHBondContact O-N 3.39Å; N85-N88 PolarHBondContact O-N 2.88Å; N85-Y89 HydrophobicContact CB-CD2 4.06Å; N85-Y89 HydrophobicContact CB-CE2 4.28Å; N85-Y89 WeakPolarHBondContact O-CB 3.12Å; N85-Y89 WeakPolarHBondContact O-CD2 3.35Å; N85-Y89 PolarHBondContact O-N 3.26Å
86	A	98.8	Very high	98.5	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-63.1	-42.3	177.7	0	0	0	0	0	111.9	L31 F49 A52 Y77 D82 A83 E84 N88 I90 N91	L31-A86 HydrophobicContact CD1-CB 3.74Å; F49-A86 HydrophobicContact CD1-CB 4.29Å; F49-A86 HydrophobicContact CE1-CB 4.47Å; A52-A86 HydrophobicContact CB-CB 3.65Å; Y77-A86 HydrophobicContact CE2-CB 3.7Å; Y77-A86 VanDerWaalsContact OH-CB 3.29Å; Y77-A86 WeakPolarHBondContact OH-CB 3.39Å; D82-A86 PolarHBondContact O-N 2.85Å; A83-A86 PolarHBondContact O-N 3.44Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 3.22Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 2.63Å; A86-I90 HydrophobicContact CB-CD1 4.23Å; A86-I90 WeakPolarHBondContact O-CA 3.16Å; A86-I90 VanDerWaalsContact O-CB 3.3Å; A86-I90 WeakPolarHBondContact O-CB 3.24Å; A86-I90 PolarHBondContact O-N 3.36Å; A86-N91 PolarHBondContact O-N 3.23Å
87	Y	98.7	Very high	98.4	Very high	78 Å²	78	74.1 Å²	74.1	31%	0.306	33%	0.334	S	S	.	.	I	π-helix	trans	-63.9	-35.9	176	-174.9	-94.3	0	0	0	112.8	L31 A83 E84 N85 N91 W104	L31-Y87 HydrophobicContact CD2-CD2 4.32Å; A83-Y87 WeakPolarHBondContact O-CB 3.19Å; A83-Y87 PolarHBondContact O-N 3.17Å; E84-Y87 PolarHBondContact O-N 3.36Å; N85-Y87 PolarHBondContact O-N 3.39Å; Y87-N91 WeakPolarHBondContact O-CB 3.31Å; Y87-W104 AromaticContact CD1-NE1 3.98Å; Y87-W104 AromaticContact CD2-NE1 3.83Å; Y87-W104 AromaticContact CE2-NE1 3.99Å; Y87-W104 HydrophobicContact CG-CZ2 4.14Å; Y87-W104 AromaticContact CG-NE1 3.82Å
88	N	98.5	Very high	98.3	Very high	102 Å²	102	75.8 Å²	75.8	55%	0.545	34%	0.34	S	S	.	.	I	π-helix	trans	-83	-36.2	-177.5	-68.1	-25.7	0	0	0	113.2	E84 N85 A86	E84-N88 WeakPolarHBondContact O-CB 3.28Å; E84-N88 PolarHBondContact O-N 2.99Å; E84-N88 PolarHBondContact O-ND2 2.87Å; N85-N88 PolarHBondContact O-N 2.88Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 2.63Å
89	Y	98.5	Very high	98.3	Very high	167 Å²	167	72 Å²	72	66%	0.655	33%	0.33	S	S	*	.	I	π-helix	trans	-115.2	-25.5	-168.2	-52.7	-59.1	0	0	0	114.5	N85 T93	N85-Y89 HydrophobicContact CB-CD2 4.06Å; N85-Y89 HydrophobicContact CB-CE2 4.28Å; N85-Y89 WeakPolarHBondContact O-CB 3.12Å; N85-Y89 WeakPolarHBondContact O-CD2 3.35Å; N85-Y89 PolarHBondContact O-N 3.26Å; Y89-T93 WeakPolarHBondContact O-CG2 3.33Å
90	I	98.7	Very high	98.3	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.046	32%	0.317	C	S	.	.	I	π-helix	trans	-98.1	-30.1	179.1	-62.3	178.5	0	0	0	111.1	L48 F49 A52 A86 R92 T93 I100	L48-I90 HydrophobicContact CD1-CG2 4.35Å; L48-I90 HydrophobicContact CD2-CG2 3.99Å; L48-I90 HydrophobicContact CG-CG2 3.94Å; L48-I90 WeakPolarHBondContact O-CD1 3.36Å; F49-I90 HydrophobicContact CE1-CG2 4.23Å; F49-I90 HydrophobicContact CE2-CG2 4.13Å; F49-I90 HydrophobicContact CZ-CG2 3.96Å; A52-I90 HydrophobicContact CB-CD1 3.65Å; A52-I90 HydrophobicContact CB-CG1 4.47Å; A86-I90 HydrophobicContact CB-CD1 4.23Å; A86-I90 WeakPolarHBondContact O-CA 3.16Å; A86-I90 VanDerWaalsContact O-CB 3.3Å; A86-I90 WeakPolarHBondContact O-CB 3.24Å; A86-I90 PolarHBondContact O-N 3.36Å; I90-R92 PolarHBondContact O-N 3.09Å; I90-T93 WeakPolarHBondContact O-CB 3.43Å; I90-T93 WeakPolarHBondContact O-CG2 3.34Å; I90-T93 PolarHBondContact O-N 3.25Å; I90-T93 VanDerWaalsContact O-N 3.14Å; I90-T93 PolarHBondContact O-OG1 3.26Å; I90-I100 HydrophobicContact CG2-CD1 4.01Å
91	N	98.6	Very high	98.3	Very high	32 Å²	32	72.3 Å²	72.3	17%	0.171	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	138.8	175.1	-166.1	9.8	0	0	0	111	A86 Y87 T93 T102	A86-N91 PolarHBondContact O-N 3.23Å; Y87-N91 WeakPolarHBondContact O-CB 3.31Å; N91-T93 PolarHBondContact O-N 3.1Å; N91-T102 HydrophobicContact CB-CG2 4.45Å; N91-T102 WeakPolarHBondContact CB-OG1 3.19Å; N91-T102 PolarHBondContact OD1-N 2.95Å; N91-T102 PolarHBondContact OD1-OG1 2.79Å
92	R	98.4	Very high	98.3	Very high	173 Å²	173	63.7 Å²	63.7	65%	0.653	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	18.8	179.9	-50.2	-65.4	-67.1	-124.1	-7	114.5	I90 I99 I100	I90-R92 PolarHBondContact O-N 3.09Å; R92-I99 HydrophobicContact CB-CG2 4.32Å; R92-I100 VanDerWaalsContact CA-O 3.24Å; R92-I100 WeakPolarHBondContact CA-O 3.43Å; R92-I100 PolarHBondContact N-O 2.97Å
93	T	98.5	Very high	98.3	Very high	47 Å²	47	64.9 Å²	64.9	29%	0.288	30%	0.3	S	S	.	.			trans	-95.7	176.9	168.9	70.2	0	0	0	0	111.5	Y89 I90 N91 I99 I100	Y89-T93 WeakPolarHBondContact O-CG2 3.33Å; I90-T93 WeakPolarHBondContact O-CB 3.43Å; I90-T93 WeakPolarHBondContact O-CG2 3.34Å; I90-T93 PolarHBondContact O-N 3.25Å; I90-T93 VanDerWaalsContact O-N 3.14Å; I90-T93 PolarHBondContact O-OG1 3.26Å; N91-T93 PolarHBondContact O-N 3.1Å; T93-I99 WeakPolarHBondContact O-CA 3.15Å; T93-I100 WeakPolarHBondContact O-CG1 3.44Å; T93-I100 PolarHBondContact O-N 3.35Å
94	N	98	Very high	98.3	Very high	101 Å²	101	67.1 Å²	67.1	54%	0.54	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.7	-178.3	-81.5	-35.1	0	0	0	112.5	R98 I99	N94-R98 CarbonylContact C-O 3.59Å; N94-R98 WeakPolarHBondContact CA-O 3.38Å; N94-I99 WeakPolarHBondContact OD1-CD1 3.35Å
95	L	98.3	Very high	98.3	Very high	14 Å²	14	64.1 Å²	64.1	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	120.1	163.4	-179.4	60.4	0	0	0	107.6	M36 T40 Q44 V45 L48 E97 R98 I100	M36-L95 HydrophobicContact CG-CD2 4.4Å; M36-L95 HydrophobicContact SD-CD2 4.09Å; T40-L95 HydrophobicContact CG2-CD1 4.46Å; T40-L95 HydrophobicContact CG2-CD2 3.7Å; T40-L95 HydrophobicContact CG2-CG 3.97Å; Q44-L95 HydrophobicContact CB-CD1 4.24Å; V45-L95 HydrophobicContact CG2-CD2 4.13Å; L48-L95 HydrophobicContact CD2-CB 4.04Å; L48-L95 HydrophobicContact CD2-CD1 4.08Å; L48-L95 HydrophobicContact CD2-CD2 4.31Å; L48-L95 HydrophobicContact CD2-CG 4.38Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 2.66Å; L95-R98 PolarHBondContact N-O 2.75Å; L95-R98 WeakPolarHBondContact O-CB 3.34Å; L95-R98 PolarHBondContact O-N 3.14Å; L95-R98 VanDerWaalsContact O-N 3.09Å; L95-I100 HydrophobicContact CB-CD1 4.46Å; L95-I100 HydrophobicContact CB-CG2 3.67Å; L95-I100 HydrophobicContact CD2-CG2 4.22Å
96	D	97.2	Very high	98.2	Very high	61 Å²	61	64.4 Å²	64.4	33%	0.326	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	51.9	-171.4	-62.4	-40.6	0	0	0	113	T40 Q44 R98	T40-D96 VanDerWaalsContact CA-OD2 3.25Å; T40-D96 WeakPolarHBondContact CA-OD2 3.41Å; T40-D96 VanDerWaalsContact CB-OD2 3.22Å; T40-D96 WeakPolarHBondContact CB-OD2 3.24Å; T40-D96 WeakPolarHBondContact CG2-OD2 3.43Å; T40-D96 PolarHBondContact OG1-OD2 3.47Å; Q44-D96 PolarHBondContact NE2-OD1 3.32Å; Q44-D96 PolarHBondContact OE1-OD2 3.38Å; D96-R98 WeakPolarHBondContact O-CG 3.3Å; D96-R98 PolarHBondContact O-N 3.16Å
97	E	96.1	Very high	98	Very high	188 Å²	188	65.2 Å²	65.2	88%	0.879	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	13.5	179.9	-54	179.2	171	0	0	114.8	L95	L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 2.66Å
98	R	97.4	Very high	97.8	Very high	35 Å²	35	63.6 Å²	63.6	13%	0.132	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.3	178.5	-59.3	179.5	71.4	85.7	1.8	111.2	N35 N94 L95 D96 I100 D132	N35-R98 PolarHBondContact O-NE 2.75Å; N35-R98 PolarHBondContact OD1-NH2 3.02Å; N35-R98 VanDerWaalsContact OD1-NH2 3.1Å; N94-R98 CarbonylContact C-O 3.59Å; N94-R98 WeakPolarHBondContact CA-O 3.38Å; L95-R98 PolarHBondContact N-O 2.75Å; L95-R98 WeakPolarHBondContact O-CB 3.34Å; L95-R98 PolarHBondContact O-N 3.14Å; L95-R98 VanDerWaalsContact O-N 3.09Å; D96-R98 WeakPolarHBondContact O-CG 3.3Å; D96-R98 PolarHBondContact O-N 3.16Å; R98-I100 PolarHBondContact O-N 2.88Å; R98-I100 VanDerWaalsContact O-N 3.09Å; R98-D132 IonicContact CZ-OD1 3.67Å; R98-D132 IonicContact CZ-OD2 2.8Å; R98-D132 IonicContact NH1-OD1 3.16Å; R98-D132 PolarHBondContact NH1-OD1 2.96Å; R98-D132 IonicContact NH1-OD2 2.83Å; R98-D132 PolarHBondContact NH1-OD2 3.41Å; R98-D132 IonicContact NH2-OD2 3.88Å; R98-D132 PolarHBondContact NH2-OD2 2.92Å
99	I	98.1	Very high	97.7	Very high	77 Å²	77	62.1 Å²	62.1	40%	0.395	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	104.6	170.9	-58.5	-67.4	0	0	0	109	N35 R92 T93 N94	N35-I99 PolarHBondContact ND2-O 2.52Å; R92-I99 HydrophobicContact CB-CG2 4.32Å; T93-I99 WeakPolarHBondContact O-CA 3.15Å; N94-I99 WeakPolarHBondContact OD1-CD1 3.35Å
100	I	98.6	Very high	97.6	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	31%	0.308	C	S	.	.			trans	-75	153	178.5	58	169.2	0	0	0	111.1	V33 M36 L48 F49 I90 R92 T93 L95 R98	V33-I100 HydrophobicContact CG1-CB 4.27Å; V33-I100 HydrophobicContact CG1-CD1 4.14Å; M36-I100 HydrophobicContact CG-CG2 3.95Å; L48-I100 HydrophobicContact CD2-CD1 3.89Å; F49-I100 HydrophobicContact CE2-CD1 3.89Å; F49-I100 HydrophobicContact CZ-CD1 3.96Å; I90-I100 HydrophobicContact CG2-CD1 4.01Å; R92-I100 VanDerWaalsContact CA-O 3.24Å; R92-I100 WeakPolarHBondContact CA-O 3.43Å; R92-I100 PolarHBondContact N-O 2.97Å; T93-I100 WeakPolarHBondContact O-CG1 3.44Å; T93-I100 PolarHBondContact O-N 3.35Å; L95-I100 HydrophobicContact CB-CD1 4.46Å; L95-I100 HydrophobicContact CB-CG2 3.67Å; L95-I100 HydrophobicContact CD2-CG2 4.22Å; R98-I100 PolarHBondContact O-N 2.88Å; R98-I100 VanDerWaalsContact O-N 3.09Å
101	R	98.6	Very high	97.5	Very high	102 Å²	102	64.7 Å²	64.7	39%	0.385	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.6	172.6	-168.5	-173.1	90.4	-136.5	6	109	V33 G34 D103	V33-R101 CarbonylContact C-O 3.59Å; V33-R101 WeakPolarHBondContact CA-O 3.23Å; G34-R101 PolarHBondContact N-O 3.1Å; G34-R101 PolarHBondContact O-N 3.37Å; R101-D103 IonicContact CZ-OD2 2.64Å; R101-D103 IonicContact NE-OD1 2.88Å; R101-D103 IonicContact NE-OD2 2.6Å; R101-D103 PolarHBondContact NE-OD2 3.38Å; R101-D103 IonicContact NH2-OD2 3.41Å; R101-D103 PolarHBondContact NH2-OD2 2.78Å
102	T	98.7	Very high	97.5	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.9	169.4	68.1	0	0	0	0	110.5	Y32 V33 F49 N91	Y32-T102 CarbonylContact O-C 3.21Å; Y32-T102 WeakPolarHBondContact O-CA 3.5Å; V33-T102 HydrophobicContact CG1-CG2 4.39Å; V33-T102 HydrophobicContact CG2-CG2 4.24Å; F49-T102 HydrophobicContact CE1-CG2 4.06Å; F49-T102 HydrophobicContact CZ-CG2 3.89Å; N91-T102 HydrophobicContact CB-CG2 4.45Å; N91-T102 WeakPolarHBondContact CB-OG1 3.19Å; N91-T102 PolarHBondContact OD1-N 2.95Å; N91-T102 PolarHBondContact OD1-OG1 2.79Å
103	D	98.6	Very high	97.5	Very high	54 Å²	54	58.3 Å²	58.3	29%	0.289	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.3	170.5	-62.2	-76.2	0	0	0	109.8	L31 Y32 R101 D105	L31-D103 CarbonylContact C-O 3.46Å; L31-D103 WeakPolarHBondContact CA-O 3.49Å; Y32-D103 HydrophobicContact CD1-CB 4.48Å; Y32-D103 PolarHBondContact N-O 2.6Å; Y32-D103 PolarHBondContact O-N 2.75Å; R101-D103 IonicContact CZ-OD2 2.64Å; R101-D103 IonicContact NE-OD1 2.88Å; R101-D103 IonicContact NE-OD2 2.6Å; R101-D103 PolarHBondContact NE-OD2 3.38Å; R101-D103 IonicContact NH2-OD2 3.41Å; R101-D103 PolarHBondContact NH2-OD2 2.78Å; D103-D105 PolarHBondContact O-N 3.12Å
104	W	98.5	Very high	97.5	Very high	47 Å²	47	59.5 Å²	59.5	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	136.6	170.7	-67.8	106.4	0	0	0	111.4	I25 S28 L31 R80 A83 E84 Y87	I25-W104 HydrophobicContact CD1-CB 4.01Å; I25-W104 HydrophobicContact CG2-CB 3.72Å; I25-W104 HydrophobicContact CG2-CG 4.21Å; S28-W104 WeakPolarHBondContact O-CZ3 3.42Å; L31-W104 HydrophobicContact CD2-CD2 3.83Å; L31-W104 HydrophobicContact CD2-CE3 3.48Å; L31-W104 VanDerWaalsContact CD2-CE3 3.48Å; L31-W104 HydrophobicContact CD2-CG 4.48Å; L31-W104 HydrophobicContact CD2-CH2 4.19Å; L31-W104 HydrophobicContact CD2-CZ2 4.47Å; L31-W104 HydrophobicContact CD2-CZ3 3.67Å; R80-W104 VanDerWaalsContact CZ-CZ3 3.41Å; A83-W104 HydrophobicContact CB-CH2 3.77Å; A83-W104 HydrophobicContact CB-CZ3 3.64Å; E84-W104 HydrophobicContact CB-CH2 4.38Å; E84-W104 HydrophobicContact CB-CZ2 4.48Å; E84-W104 HydrophobicContact CG-CH2 3.64Å; E84-W104 HydrophobicContact CG-CZ2 3.73Å; Y87-W104 AromaticContact CD1-NE1 3.98Å; Y87-W104 AromaticContact CD2-NE1 3.83Å; Y87-W104 AromaticContact CE2-NE1 3.99Å; Y87-W104 HydrophobicContact CG-CZ2 4.14Å; Y87-W104 AromaticContact CG-NE1 3.82Å
105	D	98.3	Very high	97.5	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142	-179.7	-165.7	-86.7	0	0	0	110.8	S28 T30 F74 D103 G107 R112	S28-D105 WeakPolarHBondContact CB-O 2.91Å; S28-D105 PolarHBondContact OG-O 2.84Å; T30-D105 HydrophobicContact CG2-CB 4.02Å; T30-D105 PolarHBondContact O-N 3.09Å; F74-D105 HydrophobicContact CD1-CB 4.47Å; F74-D105 WeakPolarHBondContact CE1-OD2 3.11Å; D103-D105 PolarHBondContact O-N 3.12Å; D105-G107 PolarHBondContact O-N 3.44Å; D105-G107 PolarHBondContact OD1-N 3.48Å; D105-R112 IonicContact OD1-CZ 2.69Å; D105-R112 IonicContact OD1-NH1 3.64Å; D105-R112 PolarHBondContact OD1-NH1 2.7Å; D105-R112 IonicContact OD1-NH2 4Å; D105-R112 PolarHBondContact OD1-NH2 3.26Å; D105-R112 IonicContact OD2-CZ 3.06Å; D105-R112 IonicContact OD2-NH1 3.68Å; D105-R112 PolarHBondContact OD2-NH1 2.9Å; D105-R112 IonicContact OD2-NH2 2.64Å; D105-R112 PolarHBondContact OD2-NH2 3.34Å
106	V	96.7	Very high	97.4	Very high	50 Å²	50	62.1 Å²	62.1	30%	0.303	30%	0.299	S	S	.	.	S	Bend	trans	-67.1	-3.7	-178.2	-66.1	0	0	0	0	114.6	Y21 L24 I25	Y21-V106 HydrophobicContact CD2-CG1 3.54Å; Y21-V106 HydrophobicContact CE2-CG1 3.3Å; Y21-V106 HydrophobicContact CG-CG1 4.29Å; L24-V106 HydrophobicContact CB-CB 4.14Å; L24-V106 HydrophobicContact CB-CG1 4.03Å; L24-V106 HydrophobicContact CD1-CB 4.4Å; L24-V106 HydrophobicContact CD1-CG1 4.5Å; I25-V106 HydrophobicContact CD1-CB 4.47Å; I25-V106 HydrophobicContact CD1-CG1 3.61Å; I25-V106 HydrophobicContact CG1-CG1 3.9Å
107	G	94.5	Very high	97.4	Very high	18 Å²	18	59.2 Å²	59.2	19%	0.186	28%	0.283	C	S	.	.			trans	114.6	146.2	-177	0	0	0	0	0	111.5	D105 R112	D105-G107 PolarHBondContact O-N 3.44Å; D105-G107 PolarHBondContact OD1-N 3.48Å; G107-R112 PolarHBondContact O-NH1 3.49Å
108	F	95.6	Very high	97.3	Very high	43 Å²	43	59.5 Å²	59.5	19%	0.189	28%	0.276	C	S	.	.			trans	-67.3	139.7	-178.3	-178	-100.6	0	0	0	111.8	I59 F74 R112 Q113	I59-F108 HydrophobicContact CB-CD2 4.25Å; I59-F108 HydrophobicContact CB-CE2 4.13Å; I59-F108 HydrophobicContact CD1-CB 4.17Å; I59-F108 HydrophobicContact CD1-CD1 4.35Å; I59-F108 HydrophobicContact CD1-CD2 4.22Å; I59-F108 HydrophobicContact CD1-CG 3.97Å; I59-F108 HydrophobicContact CG1-CD1 4.26Å; I59-F108 HydrophobicContact CG1-CD2 4.15Å; I59-F108 HydrophobicContact CG1-CE1 4.35Å; I59-F108 HydrophobicContact CG1-CE2 4.25Å; I59-F108 HydrophobicContact CG1-CG 4.15Å; I59-F108 HydrophobicContact CG1-CZ 4.34Å; I59-F108 HydrophobicContact CG2-CD2 4.22Å; I59-F108 HydrophobicContact CG2-CE2 3.6Å; I59-F108 HydrophobicContact CG2-CZ 3.77Å; F74-F108 AromaticContact CD2-CD2 3.73Å; F74-F108 HydrophobicContact CD2-CD2 3.73Å; F74-F108 HydrophobicContact CD2-CE2 4.09Å; F74-F108 HydrophobicContact CE2-CD2 4.05Å; F74-F108 HydrophobicContact CE2-CE2 4.2Å; F74-F108 HydrophobicContact CG-CD2 4.2Å; F108-R112 HydrophobicContact CD2-CB 4.32Å; F108-R112 HydrophobicContact CE2-CB 4.09Å; F108-Q113 HydrophobicContact CE2-CB 4.11Å; F108-Q113 HydrophobicContact CZ-CB 4.27Å
109	S	96.1	Very high	97.2	Very high	71 Å²	71	60.2 Å²	60.2	50%	0.497	28%	0.281	S	S	.	.			trans	-136.6	143	170.9	-66.1	0	0	0	0	108.6	G111 R112	S109-G111 PolarHBondContact O-N 3.26Å; S109-R112 WeakPolarHBondContact O-CB 3.43Å; S109-R112 WeakPolarHBondContact O-CG 3Å; S109-R112 PolarHBondContact O-N 2.8Å
110	K	96.4	Very high	97	Very high	196 Å²	196	56.5 Å²	56.5	85%	0.852	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	136.5	-178.8	-170.9	174.9	-178.1	177.7	0	110.5
111	G	97.5	Very high	96.9	Very high	34 Å²	34	57 Å²	57	35%	0.351	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-20.3	-175.2	0	0	0	0	0	113.2	S109 Q113 Y114	S109-G111 PolarHBondContact O-N 3.26Å; G111-Q113 VanDerWaalsContact C-N 3.25Å; G111-Q113 VanDerWaalsContact CA-OE1 3.28Å; G111-Q113 PolarHBondContact O-N 2.65Å; G111-Y114 PolarHBondContact O-N 2.69Å
112	R	97.9	Very high	96.9	Very high	46 Å²	46	53.1 Å²	53.1	17%	0.174	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.1	178.2	-64.7	-170.1	63.1	-167.2	-3.7	114	F74 D105 G107 F108 S109 Y114	F74-R112 HydrophobicContact CE2-CB 4.2Å; F74-R112 WeakPolarHBondContact CE2-O 3.14Å; F74-R112 HydrophobicContact CZ-CB 4.15Å; D105-R112 IonicContact OD1-CZ 2.69Å; D105-R112 IonicContact OD1-NH1 3.64Å; D105-R112 PolarHBondContact OD1-NH1 2.7Å; D105-R112 IonicContact OD1-NH2 4Å; D105-R112 PolarHBondContact OD1-NH2 3.26Å; D105-R112 IonicContact OD2-CZ 3.06Å; D105-R112 IonicContact OD2-NH1 3.68Å; D105-R112 PolarHBondContact OD2-NH1 2.9Å; D105-R112 IonicContact OD2-NH2 2.64Å; D105-R112 PolarHBondContact OD2-NH2 3.34Å; G107-R112 PolarHBondContact O-NH1 3.49Å; F108-R112 HydrophobicContact CD2-CB 4.32Å; F108-R112 HydrophobicContact CE2-CB 4.09Å; S109-R112 WeakPolarHBondContact O-CB 3.43Å; S109-R112 WeakPolarHBondContact O-CG 3Å; S109-R112 PolarHBondContact O-N 2.8Å; R112-Y114 PolarHBondContact O-N 2.72Å
113	Q	98.4	Very high	96.7	Very high	25 Å²	25	57.6 Å²	57.6	12%	0.117	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.4	172.6	73.9	-84.4	23.8	0	0	112.5	I59 G61 I62 F72 F108 G111	I59-Q113 HydrophobicContact CG2-CB 3.8Å; G61-Q113 CarbonylContact C-O 3.56Å; G61-Q113 WeakPolarHBondContact CA-O 3.49Å; I62-Q113 HydrophobicContact CD1-CG 4Å; I62-Q113 HydrophobicContact CG1-CB 4.41Å; I62-Q113 HydrophobicContact CG1-CG 3.95Å; I62-Q113 PolarHBondContact N-O 3.16Å; F72-Q113 WeakPolarHBondContact CZ-O 3.35Å; F108-Q113 HydrophobicContact CE2-CB 4.11Å; F108-Q113 HydrophobicContact CZ-CB 4.27Å; G111-Q113 VanDerWaalsContact C-N 3.25Å; G111-Q113 VanDerWaalsContact CA-OE1 3.28Å; G111-Q113 PolarHBondContact O-N 2.65Å
114	Y	98.5	Very high	96.5	Very high	73 Å²	73	60.9 Å²	60.9	29%	0.286	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-84.4	134	-177.8	-61.3	-62.5	0	0	0	111.9	I62 R64 G111 R112	I62-Y114 HydrophobicContact CD1-CD1 3.79Å; I62-Y114 HydrophobicContact CD1-CE1 3.34Å; I62-Y114 HydrophobicContact CG1-CD1 3.68Å; I62-Y114 HydrophobicContact CG1-CE1 3.81Å; I62-Y114 CarbonylContact O-C 3.51Å; I62-Y114 WeakPolarHBondContact O-CA 3.17Å; R64-Y114 HydrophobicContact CB-CD1 4.36Å; R64-Y114 HydrophobicContact CB-CG 4.44Å; R64-Y114 HydrophobicContact CG-CD1 4.35Å; R64-Y114 HydrophobicContact CG-CG 4.23Å; G111-Y114 PolarHBondContact O-N 2.69Å; R112-Y114 PolarHBondContact O-N 2.72Å
115	G	97.3	Very high	96.3	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.031	28%	0.28	C	S	.	.			trans	-52.1	141.7	165.2	0	0	0	0	0	111.6	I62 R64 G120 G121	I62-G115 PolarHBondContact O-N 3.02Å; R64-G115 PolarHBondContact NH1-O 2.65Å; G115-G120 CarbonylContact C-O 3.5Å; G115-G120 VanDerWaalsContact CA-O 3.3Å; G115-G120 WeakPolarHBondContact CA-O 3.43Å; G115-G121 CarbonylContact C-O 3.57Å; G115-G121 WeakPolarHBondContact CA-O 3.48Å
116	R	97.1	Very high	96	Very high	166 Å²	166	59.4 Å²	59.4	63%	0.626	28%	0.279	S	S	*	.			trans	-102.6	0.4	-176	-63.4	-174.2	-175.9	131.8	-4.3	113.7	G121 M123	R116-G121 PolarHBondContact N-O 3.25Å; R116-M123 HydrophobicContact CB-CG 4.21Å; R116-M123 VanDerWaalsContact O-SD 3.37Å
117	G	96.1	Very high	95.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-57	153.3	170.9	0	0	0	0	0	111.5	R64 H119 G120 G121 E126	R64-G117 PolarHBondContact NH1-O 3.28Å; R64-G117 PolarHBondContact NH2-O 3.4Å; R64-G117 VanDerWaalsContact NH2-O 3.16Å; G117-H119 PolarHBondContact O-N 3.45Å; G117-G120 PolarHBondContact O-N 3.2Å; G117-G121 WeakPolarHBondContact CA-O 3.45Å; G117-G121 PolarHBondContact N-O 3.2Å; G117-E126 WeakPolarHBondContact CA-OE2 3.37Å
118	R	95.2	Very high	95.6	Very high	194 Å²	194	65.4 Å²	65.4	73%	0.732	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.1	173	-175.7	176	179	-123.1	2.5	111.4	E126	R118-E126 WeakPolarHBondContact CA-OE1 3.37Å; R118-E126 PolarHBondContact N-OE1 3.13Å; R118-E126 PolarHBondContact N-OE2 3.2Å
119	H	94.2	Very high	95.3	Very high	50 Å²	50	67.4 Å²	67.4	23%	0.231	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	11.6	-177.9	-53.8	89.4	0	0	0	113.9	G117 E126 V140	G117-H119 PolarHBondContact O-N 3.45Å; H119-E126 IonicContact CE1-OE1 3.88Å; H119-E126 IonicContact CG-OE1 3.16Å; H119-E126 PolarHBondContact N-OE1 3.48Å; H119-E126 IonicContact ND1-OE1 2.9Å; H119-E126 PolarHBondContact ND1-OE1 2.74Å; H119-V140 HydrophobicContact CB-CG2 4.22Å
120	G	95.5	Very high	95.1	Very high	0 Å²	0	68 Å²	68	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	101.3	-32.4	173.5	0	0	0	0	0	115.1	D63 R64 G115 G117	D63-G120 WeakPolarHBondContact CA-O 3.48Å; D63-G120 VanDerWaalsContact CG-C 3.47Å; R64-G120 PolarHBondContact N-O 2.8Å; G115-G120 CarbonylContact C-O 3.5Å; G115-G120 VanDerWaalsContact CA-O 3.3Å; G115-G120 WeakPolarHBondContact CA-O 3.43Å; G117-G120 PolarHBondContact O-N 3.2Å
121	G	96.4	Very high	94.9	Very high	12 Å²	12	64.5 Å²	64.5	12%	0.124	29%	0.294	C	S	.	.	S	Bend	trans	-72.8	-161.1	176.9	0	0	0	0	0	114.5	D63 G115 R116 G117	D63-G121 PolarHBondContact OD2-N 2.84Å; D63-G121 VanDerWaalsContact OD2-N 3.1Å; G115-G121 CarbonylContact C-O 3.57Å; G115-G121 WeakPolarHBondContact CA-O 3.48Å; R116-G121 PolarHBondContact N-O 3.25Å; G117-G121 WeakPolarHBondContact CA-O 3.45Å; G117-G121 PolarHBondContact N-O 3.2Å
122	Q	97.2	Very high	94.7	Very high	20 Å²	20	64 Å²	64	9%	0.093	28%	0.283	C	S	.	.			trans	-78.2	145.8	175.4	-50.7	-163.7	-85.1	0	0	110.9	Y32 C70 F72 R124 D125	Y32-Q122 PolarHBondContact OH-NE2 3.5Å; Y32-Q122 VanDerWaalsContact OH-NE2 3.07Å; C70-Q122 HydrophobicContact CB-CG 4.43Å; C70-Q122 VanDerWaalsContact O-CG 3.28Å; C70-Q122 WeakPolarHBondContact O-CG 3.49Å; C70-Q122 PolarHBondContact O-OE1 2.75Å; F72-Q122 VanDerWaalsContact CD1-CD 3.47Å; F72-Q122 HydrophobicContact CD1-CG 3.76Å; F72-Q122 HydrophobicContact CE1-CG 4.17Å; Q122-R124 PolarHBondContact O-N 2.84Å; Q122-D125 WeakPolarHBondContact CB-OD2 3.46Å; Q122-D125 PolarHBondContact O-N 3.35Å
123	M	95.2	Very high	94.6	Very high	94 Å²	94	66.6 Å²	66.6	46%	0.463	31%	0.306	S	S	.	.	H	α-helix	trans	-53.4	-38	173.3	-71.4	-71.7	-108.8	0	0	111.8	R116 D125 E126 Y127	R116-M123 HydrophobicContact CB-CG 4.21Å; R116-M123 VanDerWaalsContact O-SD 3.37Å; M123-D125 VanDerWaalsContact C-N 3.27Å; M123-D125 PolarHBondContact O-N 2.8Å; M123-E126 PolarHBondContact O-N 2.83Å; M123-E126 VanDerWaalsContact O-N 3.17Å; M123-Y127 WeakPolarHBondContact O-CD2 3.33Å
124	R	94.3	Very high	94.4	Very high	123 Å²	123	66.1 Å²	66.1	46%	0.464	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-40.1	177.6	175.7	179.9	172.8	-172.3	-7	112.5	N35 Q122 E126 Y127 R128	N35-R124 PolarHBondContact OD1-NH1 3.42Å; N35-R124 PolarHBondContact OD1-NH2 3.09Å; Q122-R124 PolarHBondContact O-N 2.84Å; R124-E126 PolarHBondContact O-N 2.84Å; R124-Y127 PolarHBondContact O-N 3.44Å; R124-R128 PolarHBondContact O-N 2.9Å
125	D	94.8	Very high	94.2	Very high	17 Å²	17	63 Å²	63	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-71.6	-20.3	-175.7	-57.6	-43.3	0	0	0	111.5	Q122 M123 R135 S139	Q122-D125 WeakPolarHBondContact CB-OD2 3.46Å; Q122-D125 PolarHBondContact O-N 3.35Å; M123-D125 VanDerWaalsContact C-N 3.27Å; M123-D125 PolarHBondContact O-N 2.8Å; D125-R135 IonicContact OD1-NH1 2.75Å; D125-R135 PolarHBondContact OD1-NH1 3.05Å; D125-R135 VanDerWaalsContact OD1-NH1 3.16Å; D125-R135 IonicContact OD2-NH1 3.22Å; D125-S139 WeakPolarHBondContact O-CB 3.48Å
126	E	92	Very high	93.9	Very high	12 Å²	12	65.9 Å²	65.9	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-80	-27.5	179.2	-57.1	-168.3	141.8	0	0	113.5	G117 R118 H119 M123 R124 N141	G117-E126 WeakPolarHBondContact CA-OE2 3.37Å; R118-E126 WeakPolarHBondContact CA-OE1 3.37Å; R118-E126 PolarHBondContact N-OE1 3.13Å; R118-E126 PolarHBondContact N-OE2 3.2Å; H119-E126 IonicContact CE1-OE1 3.88Å; H119-E126 IonicContact CG-OE1 3.16Å; H119-E126 PolarHBondContact N-OE1 3.48Å; H119-E126 IonicContact ND1-OE1 2.9Å; H119-E126 PolarHBondContact ND1-OE1 2.74Å; M123-E126 PolarHBondContact O-N 2.83Å; M123-E126 VanDerWaalsContact O-N 3.17Å; R124-E126 PolarHBondContact O-N 2.84Å; E126-N141 PolarHBondContact O-ND2 3.41Å
127	Y	90.2	Very high	93.7	Very high	177 Å²	177	58.4 Å²	58.4	69%	0.694	30%	0.301	S	S	*	.	S	Bend	trans	-99.8	2.8	179.6	-61.6	-75.1	0	0	0	113	M123 R124	M123-Y127 WeakPolarHBondContact O-CD2 3.33Å; R124-Y127 PolarHBondContact O-N 3.44Å
128	R	91.8	Very high	93.4	Very high	17 Å²	17	62.2 Å²	62.2	6%	0.064	32%	0.317	C	S	.	.			trans	-73.1	130.1	179.4	-167.4	169.2	62.6	77.1	7.2	110.4	R124 D130 D132 G137 S139	R124-R128 PolarHBondContact O-N 2.9Å; R128-D130 WeakPolarHBondContact CD-OD2 3.33Å; R128-D130 WeakPolarHBondContact CG-OD1 3.36Å; R128-D130 WeakPolarHBondContact CG-OD2 3.33Å; R128-D130 IonicContact CZ-OD2 3.35Å; R128-D130 VanDerWaalsContact NH1-C 3.31Å; R128-D130 PolarHBondContact NH1-O 2.79Å; R128-D130 IonicContact NH1-OD2 3.37Å; R128-D130 PolarHBondContact NH1-OD2 3.3Å; R128-D132 VanDerWaalsContact CZ-CB 3.46Å; R128-G137 PolarHBondContact NH1-O 3.19Å; R128-G137 PolarHBondContact NH2-O 3.46Å; R128-S139 WeakPolarHBondContact O-CB 3.5Å; R128-S139 PolarHBondContact O-OG 3.38Å
129	S	90	Very high	93	Very high	86 Å²	86	53.3 Å²	53.3	60%	0.601	29%	0.285	S	S	*	.			trans	-98.3	-28.5	-179.7	53.5	0	0	0	0	113.2
130	D	91	Very high	92.3	Very high	84 Å²	84	54.2 Å²	54.2	45%	0.449	29%	0.294	S	S	.	.	S	Bend	trans	-71.3	163.2	178.2	52.1	-74.6	0	0	0	112.4	R128	R128-D130 WeakPolarHBondContact CD-OD2 3.33Å; R128-D130 WeakPolarHBondContact CG-OD1 3.36Å; R128-D130 WeakPolarHBondContact CG-OD2 3.33Å; R128-D130 IonicContact CZ-OD2 3.35Å; R128-D130 VanDerWaalsContact NH1-C 3.31Å; R128-D130 PolarHBondContact NH1-O 2.79Å; R128-D130 IonicContact NH1-OD2 3.37Å; R128-D130 PolarHBondContact NH1-OD2 3.3Å
131	F	92.2	Very high	91.6	Very high	121 Å²	121	57 Å²	57	53%	0.531	31%	0.308	S	S	.	.			trans	-89.8	132.9	166.6	179.5	-95.5	0	0	0	109.2	P133 G137 F138	F131-P133 HydrophobicContact CE1-CB 4.01Å; F131-P133 HydrophobicContact CE1-CG 4.19Å; F131-P133 HydrophobicContact CZ-CB 4.39Å; F131-G137 VanDerWaalsContact CD2-C 3.46Å; F131-F138 HydrophobicContact CB-CD1 4.13Å; F131-F138 HydrophobicContact CB-CE1 3.72Å; F131-F138 HydrophobicContact CB-CE2 4.41Å; F131-F138 HydrophobicContact CB-CZ 3.87Å; F131-F138 HydrophobicContact CD2-CD1 4.35Å; F131-F138 AromaticContact CD2-CD2 3.67Å; F131-F138 HydrophobicContact CD2-CD2 3.67Å; F131-F138 HydrophobicContact CD2-CE1 4.33Å; F131-F138 AromaticContact CD2-CE2 3.63Å; F131-F138 HydrophobicContact CD2-CE2 3.63Å; F131-F138 HydrophobicContact CD2-CG 4.04Å; F131-F138 AromaticContact CD2-CZ 3.98Å; F131-F138 HydrophobicContact CD2-CZ 3.98Å; F131-F138 HydrophobicContact CE2-CD2 4.32Å; F131-F138 HydrophobicContact CE2-CE2 4.37Å; F131-F138 HydrophobicContact CG-CE2 4.4Å; F131-F138 HydrophobicContact CG-CZ 4.32Å
132	D	94.4	Very high	90.8	Very high	23 Å²	23	59.9 Å²	59.9	12%	0.123	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-141.8	106	178.1	-178.5	-17.7	0	0	0	108.7	R98 R128 G134 R135 G136 G137	R98-D132 IonicContact CZ-OD1 3.67Å; R98-D132 IonicContact CZ-OD2 2.8Å; R98-D132 IonicContact NH1-OD1 3.16Å; R98-D132 PolarHBondContact NH1-OD1 2.96Å; R98-D132 IonicContact NH1-OD2 2.83Å; R98-D132 PolarHBondContact NH1-OD2 3.41Å; R98-D132 IonicContact NH2-OD2 3.88Å; R98-D132 PolarHBondContact NH2-OD2 2.92Å; R128-D132 VanDerWaalsContact CZ-CB 3.46Å; D132-G134 VanDerWaalsContact C-N 3.26Å; D132-G134 PolarHBondContact O-N 3.22Å; D132-G134 WeakPolarHBondContact OD1-CA 3.41Å; D132-G134 PolarHBondContact OD1-N 2.92Å; D132-R135 HydrophobicContact CB-CB 3.91Å; D132-R135 HydrophobicContact CB-CG 4.25Å; D132-R135 CarbonylContact O-C 3.44Å; D132-R135 PolarHBondContact O-N 2.8Å; D132-R135 PolarHBondContact OD1-N 2.91Å; D132-R135 WeakPolarHBondContact OD2-CG 2.87Å; D132-G136 PolarHBondContact O-N 3.19Å; D132-G137 PolarHBondContact N-O 2.59Å; D132-G137 WeakPolarHBondContact O-CA 3.37Å; D132-G137 PolarHBondContact O-N 2.84Å
133	P	94	Very high	89.5	Confident	101 Å²	101	59.4 Å²	59.4	66%	0.656	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.2	-30.9	-176.7	25.6	-32.4	0	0	0	112.2	F131 R135 G136	F131-P133 HydrophobicContact CE1-CB 4.01Å; F131-P133 HydrophobicContact CE1-CG 4.19Å; F131-P133 HydrophobicContact CZ-CB 4.39Å; P133-R135 PolarHBondContact O-N 3.43Å; P133-G136 PolarHBondContact O-N 3.42Å
134	G	94.1	Very high	88.2	Confident	16 Å²	16	61 Å²	61	17%	0.165	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-72.8	-3.6	174.8	0	0	0	0	0	113.7	F38 D132	F38-G134 PolarHBondContact N-O 2.66Å; D132-G134 VanDerWaalsContact C-N 3.26Å; D132-G134 PolarHBondContact O-N 3.22Å; D132-G134 WeakPolarHBondContact OD1-CA 3.41Å; D132-G134 PolarHBondContact OD1-N 2.92Å
135	R	94.8	Very high	87.1	Confident	8 Å²	8	63.1 Å²	63.1	3%	0.03	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-127	24.9	-179.3	-68.4	-74.6	-177.4	157.9	-18.8	112.8	M36 F38 G71 D125 D132 P133	M36-R135 PolarHBondContact O-NE 3.47Å; M36-R135 PolarHBondContact O-NH2 3.35Å; F38-R135 VanDerWaalsContact CE1-CD 3.41Å; F38-R135 VanDerWaalsContact CE2-C 3.44Å; F38-R135 WeakPolarHBondContact CE2-O 3Å; F38-R135 HydrophobicContact CZ-CB 4.42Å; G71-R135 PolarHBondContact O-NH2 3.01Å; D125-R135 IonicContact OD1-NH1 2.75Å; D125-R135 PolarHBondContact OD1-NH1 3.05Å; D125-R135 VanDerWaalsContact OD1-NH1 3.16Å; D125-R135 IonicContact OD2-NH1 3.22Å; D132-R135 HydrophobicContact CB-CB 3.91Å; D132-R135 HydrophobicContact CB-CG 4.25Å; D132-R135 CarbonylContact O-C 3.44Å; D132-R135 PolarHBondContact O-N 2.8Å; D132-R135 PolarHBondContact OD1-N 2.91Å; D132-R135 WeakPolarHBondContact OD2-CG 2.87Å; P133-R135 PolarHBondContact O-N 3.43Å
136	G	91.9	Very high	85.9	Confident	62 Å²	62	66.2 Å²	66.2	64%	0.639	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	17.9	175.9	0	0	0	0	0	115.4	D132 P133	D132-G136 PolarHBondContact O-N 3.19Å; P133-G136 PolarHBondContact O-N 3.42Å
137	G	92.2	Very high	84.5	Confident	10 Å²	10	68.3 Å²	68.3	10%	0.103	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	96.2	-121.4	171.5	0	0	0	0	0	113.4	R128 F131 D132	R128-G137 PolarHBondContact NH1-O 3.19Å; R128-G137 PolarHBondContact NH2-O 3.46Å; F131-G137 VanDerWaalsContact CD2-C 3.46Å; D132-G137 PolarHBondContact N-O 2.59Å; D132-G137 WeakPolarHBondContact O-CA 3.37Å; D132-G137 PolarHBondContact O-N 2.84Å
138	F	89.7	Confident	83.1	Confident	80 Å²	80	64.5 Å²	64.5	35%	0.351	37%	0.373	S	S	.	.	S	Bend	trans	-83.6	157.3	170.8	-73	-73.5	0	0	0	110.7	F131 M142 I146 I148	F131-F138 HydrophobicContact CB-CD1 4.13Å; F131-F138 HydrophobicContact CB-CE1 3.72Å; F131-F138 HydrophobicContact CB-CE2 4.41Å; F131-F138 HydrophobicContact CB-CZ 3.87Å; F131-F138 HydrophobicContact CD2-CD1 4.35Å; F131-F138 AromaticContact CD2-CD2 3.67Å; F131-F138 HydrophobicContact CD2-CD2 3.67Å; F131-F138 HydrophobicContact CD2-CE1 4.33Å; F131-F138 AromaticContact CD2-CE2 3.63Å; F131-F138 HydrophobicContact CD2-CE2 3.63Å; F131-F138 HydrophobicContact CD2-CG 4.04Å; F131-F138 AromaticContact CD2-CZ 3.98Å; F131-F138 HydrophobicContact CD2-CZ 3.98Å; F131-F138 HydrophobicContact CE2-CD2 4.32Å; F131-F138 HydrophobicContact CE2-CE2 4.37Å; F131-F138 HydrophobicContact CG-CE2 4.4Å; F131-F138 HydrophobicContact CG-CZ 4.32Å; F138-M142 HydrophobicContact CD1-CG 4.33Å; F138-I146 HydrophobicContact CB-CD1 4.43Å; F138-I146 HydrophobicContact CD1-CD1 3.83Å; F138-I146 HydrophobicContact CD2-CD1 3.85Å; F138-I146 HydrophobicContact CE1-CD1 3.95Å; F138-I146 HydrophobicContact CE2-CD1 3.99Å; F138-I146 HydrophobicContact CG-CD1 3.77Å; F138-I146 HydrophobicContact CZ-CD1 4.04Å; F138-I148 HydrophobicContact CD2-CD1 3.79Å; F138-I148 HydrophobicContact CE2-CD1 3.79Å
139	S	86.8	Confident	81.1	Confident	7 Å²	7	75.6 Å²	75.6	5%	0.049	42%	0.424	C	S	.	.			trans	-61	152.2	168.2	66.6	0	0	0	0	110.6	D125 R128 N141 M142 G143	D125-S139 WeakPolarHBondContact O-CB 3.48Å; R128-S139 WeakPolarHBondContact O-CB 3.5Å; R128-S139 PolarHBondContact O-OG 3.38Å; S139-N141 PolarHBondContact O-N 3.22Å; S139-M142 PolarHBondContact O-N 3.42Å; S139-M142 VanDerWaalsContact O-N 3.09Å; S139-M142 WeakPolarHBondContact OG-CB 3.33Å; S139-M142 PolarHBondContact OG-N 3.33Å; S139-M142 VanDerWaalsContact OG-N 3.12Å; S139-G143 PolarHBondContact O-N 3.34Å
140	V	80.6	Confident	80.7	Confident	69 Å²	69	75.1 Å²	75.1	42%	0.418	42%	0.416	S	S	.	.	H	α-helix	trans	-57.4	-39.9	-179.8	-155.6	0	0	0	0	111.3	H119 Q144	H119-V140 HydrophobicContact CB-CG2 4.22Å; V140-Q144 WeakPolarHBondContact O-CG 3.22Å; V140-Q144 PolarHBondContact O-N 3.28Å
141	N	80.7	Confident	80.2	Confident	58 Å²	58	74.6 Å²	74.6	31%	0.31	41%	0.414	S	S	.	.	H	α-helix	trans	-69.3	-39.8	178.4	-65.5	-29.5	0	0	0	111.7	E126 S139 H145	E126-N141 PolarHBondContact O-ND2 3.41Å; S139-N141 PolarHBondContact O-N 3.22Å; N141-H145 PolarHBondContact O-N 3.06Å
142	M	78.1	Confident	79.5	Confident	72 Å²	72	72 Å²	72	36%	0.355	41%	0.407	S	S	.	.	H	α-helix	trans	-69.2	-47.9	176.9	-163.4	66.4	-177.5	0	0	110.3	F138 S139 Q144 H145 I146	F138-M142 HydrophobicContact CD1-CG 4.33Å; S139-M142 PolarHBondContact O-N 3.42Å; S139-M142 VanDerWaalsContact O-N 3.09Å; S139-M142 WeakPolarHBondContact OG-CB 3.33Å; S139-M142 PolarHBondContact OG-N 3.33Å; S139-M142 VanDerWaalsContact OG-N 3.12Å; M142-Q144 VanDerWaalsContact C-N 3.28Å; M142-Q144 PolarHBondContact O-N 3Å; M142-H145 CarbonylContact O-C 3.53Å; M142-H145 WeakPolarHBondContact O-CA 3.25Å; M142-H145 WeakPolarHBondContact O-CB 3.38Å; M142-H145 PolarHBondContact O-N 2.76Å; M142-I146 HydrophobicContact CG-CD1 3.85Å; M142-I146 HydrophobicContact CG-CG1 4.11Å; M142-I146 WeakPolarHBondContact O-CG1 3.4Å; M142-I146 PolarHBondContact O-N 3.11Å
143	G	69.9	Low	78.6	Confident	10 Å²	10	74.9 Å²	74.9	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-51.9	-43	177.9	0	0	0	0	0	113.5	S139 H145 I146 G147 I148	S139-G143 PolarHBondContact O-N 3.34Å; G143-H145 VanDerWaalsContact C-N 3.31Å; G143-H145 PolarHBondContact O-N 3.21Å; G143-I146 PolarHBondContact O-N 3.3Å; G143-G147 PolarHBondContact O-N 2.99Å; G143-G147 VanDerWaalsContact O-N 3.11Å; G143-I148 PolarHBondContact O-N 3.47Å
144	Q	68.2	Low	77.7	Confident	128 Å²	128	73.3 Å²	73.3	60%	0.598	41%	0.41	S	S	*	.	H	α-helix	trans	-62.1	-37.6	172.6	-74	175.4	4.9	0	0	112.7	V140 M142	V140-Q144 WeakPolarHBondContact O-CG 3.22Å; V140-Q144 PolarHBondContact O-N 3.28Å; M142-Q144 VanDerWaalsContact C-N 3.28Å; M142-Q144 PolarHBondContact O-N 3Å
145	H	71.3	Confident	76.6	Confident	168 Å²	168	77.1 Å²	77.1	78%	0.778	43%	0.426	S	S	*	.	H	α-helix	trans	-76.5	-30	-178.3	-144.5	-51.4	0	0	0	113.7	N141 M142 G143	N141-H145 PolarHBondContact O-N 3.06Å; M142-H145 CarbonylContact O-C 3.53Å; M142-H145 WeakPolarHBondContact O-CA 3.25Å; M142-H145 WeakPolarHBondContact O-CB 3.38Å; M142-H145 PolarHBondContact O-N 2.76Å; G143-H145 VanDerWaalsContact C-N 3.31Å; G143-H145 PolarHBondContact O-N 3.21Å
146	I	69.6	Low	75.3	Confident	81 Å²	81	82 Å²	82	42%	0.415	45%	0.454	S	S	.	.	H	α-helix	trans	-92.4	1.8	175.8	20.3	172.9	0	0	0	113.1	F138 M142 G143 I148	F138-I146 HydrophobicContact CB-CD1 4.43Å; F138-I146 HydrophobicContact CD1-CD1 3.83Å; F138-I146 HydrophobicContact CD2-CD1 3.85Å; F138-I146 HydrophobicContact CE1-CD1 3.95Å; F138-I146 HydrophobicContact CE2-CD1 3.99Å; F138-I146 HydrophobicContact CG-CD1 3.77Å; F138-I146 HydrophobicContact CZ-CD1 4.04Å; M142-I146 HydrophobicContact CG-CD1 3.85Å; M142-I146 HydrophobicContact CG-CG1 4.11Å; M142-I146 WeakPolarHBondContact O-CG1 3.4Å; M142-I146 PolarHBondContact O-N 3.11Å; G143-I146 PolarHBondContact O-N 3.3Å; I146-I148 HydrophobicContact CB-CD1 4.37Å; I146-I148 HydrophobicContact CB-CG1 4.2Å; I146-I148 HydrophobicContact CD1-CD1 3.74Å; I146-I148 HydrophobicContact CD1-CG1 4.36Å; I146-I148 HydrophobicContact CG1-CD1 4.21Å; I146-I148 HydrophobicContact CG1-CG1 4.29Å
147	G	62.3	Low	74	Confident	57 Å²	57	83.5 Å²	83.5	59%	0.588	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	26.1	175.9	0	0	0	0	0	114.4	G143	G143-G147 PolarHBondContact O-N 2.99Å; G143-G147 VanDerWaalsContact O-N 3.11Å
148	I	61.1	Low	72.5	Confident	97 Å²	97	89.7 Å²	89.7	50%	0.497	47%	0.468	S	S	.	.			trans	-94.5	108.5	177.9	-44.3	-177.5	0	0	0	107.4	F138 G143 I146	F138-I148 HydrophobicContact CD2-CD1 3.79Å; F138-I148 HydrophobicContact CE2-CD1 3.79Å; G143-I148 PolarHBondContact O-N 3.47Å; I146-I148 HydrophobicContact CB-CD1 4.37Å; I146-I148 HydrophobicContact CB-CG1 4.2Å; I146-I148 HydrophobicContact CD1-CD1 3.74Å; I146-I148 HydrophobicContact CD1-CG1 4.36Å; I146-I148 HydrophobicContact CG1-CD1 4.21Å; I146-I148 HydrophobicContact CG1-CG1 4.29Å
149	H	51.2	Low	70.9	Confident	249 Å²	249	90.5 Å²	90.5	100%	1.153	48%	0.479	S	S	*	.			trans	-90.4	0	175.8	-76.5	-33.9	0	0	0	112.1

Retrieved 149 of 149 residues in 231.2 ms (Link to these results)

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