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Methylthioribulose-1-phosphate dehydratase

Catalyzes the dehydration of methylthioribulose-1-phosphate (MTRu-1-P) into 2,3-diketo-5-methylthiopentyl-1-phosphate (DK-MTP-1-P). Functions in the methionine salvage pathway, which plays a key role in cancer, apoptosis, microbial proliferation and inflammation. May inhibit the CASP1-related inflammatory response (pyroptosis), the CASP9-dependent apoptotic pathway and the cytochrome c-dependent and APAF1-mediated cell death. Catalyzes the dehydration of methylthioribulose-1-phosphate (MTRu-1-P) into 2,3-diketo-5-methylthiopentyl-1-phosphate (DK-MTP-1-P). Functions in the methionine salvage pathway. May play a role in apoptosis.

AlphaFold DB , UniProt , Accession A0A087YN67, Species POEFO (Poecilia formosa, Amazon molly), Gene APIP, Length 249 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	37.3	Very low	38.2	Very low	232 Å²	232	148 Å²	148	100%	1.143	87%	0.868	S	S	*	*				0	92.8	0	-71.7	-173	-108.8	0	0	106.2
2	S	35.9	Very low	39.1	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	86%	0.863	S	S	*	*				92.9	121.5	106.5	-53.3	0	0	0	0	108.1
3	Q	34.6	Very low	39.6	Very low	188 Å²	188	143 Å²	143	88%	0.879	84%	0.844	S	S	*	*			cis	-160.1	149.4	22.6	-106	163.4	-12.9	0	0	108.9
4	E	42.8	Very low	40.1	Very low	189 Å²	189	136.9 Å²	136.9	88%	0.883	83%	0.826	S	S	*	*			trans	-68.2	147.9	160.5	-67.9	170.2	121.4	0	0	110.8
5	M	35.7	Very low	40.8	Very low	194 Å²	194	133.9 Å²	133.9	96%	0.956	81%	0.814	S	S	*	*			trans	-145.7	117.8	138.4	-87.4	-149.7	173.9	0	0	110.9
6	S	42.5	Very low	41.7	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	79%	0.785	S	S	*	*			trans	-47.9	136.7	167.6	166	0	0	0	0	113.4
7	A	35.7	Very low	42.7	Very low	105 Å²	105	126 Å²	126	87%	0.868	77%	0.765	S	S	*	*			trans	-128.1	85.3	159.2	0	0	0	0	0	109
8	L	45.7	Very low	43.6	Very low	164 Å²	164	124.4 Å²	124.4	86%	0.859	76%	0.755	S	S	*	*			trans	-115	102.8	164.8	-94	157.2	0	0	0	107.1
9	C	33.1	Very low	44.6	Very low	140 Å²	140	122.4 Å²	122.4	95%	0.946	75%	0.746	S	S	*	*			trans	179.3	133	157.2	-153.5	0	0	0	0	108
10	G	34.8	Very low	45.5	Very low	67 Å²	67	122.1 Å²	122.1	69%	0.691	74%	0.736	S	S	*	*			cis	-160.6	132.3	-6.4	0	0	0	0	0	105.8
11	T	42	Very low	46.5	Very low	137 Å²	137	121.4 Å²	121.4	84%	0.84	73%	0.728	S	S	*	*			trans	-70.1	133.3	173.2	40.5	0	0	0	0	109.4	N13	T11-N13 PolarHBondContact O-N 3.25Å
12	S	49	Very low	47.9	Very low	116 Å²	116	112.6 Å²	112.6	81%	0.811	69%	0.692	S	S	*	*			trans	-46.7	112.6	176.9	52.1	0	0	0	0	113.5
13	N	46.2	Very low	49.4	Very low	115 Å²	115	110 Å²	110	62%	0.615	68%	0.678	S	S	*	*			trans	-101.8	9.9	172.2	-123.8	33.3	0	0	0	113.5	T11 S15 S16	T11-N13 PolarHBondContact O-N 3.25Å; N13-S15 VanDerWaalsContact C-N 3.34Å; N13-S15 PolarHBondContact O-N 3.37Å; N13-S16 PolarHBondContact O-OG 3.47Å
14	G	46.3	Very low	51.2	Low	58 Å²	58	106.2 Å²	106.2	60%	0.598	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-6.5	-173.1	0	0	0	0	0	116.3	V18	G14-V18 WeakPolarHBondContact O-CG2 3.44Å
15	S	50.8	Low	52.5	Low	92 Å²	92	102.9 Å²	102.9	64%	0.643	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-26.4	-175.3	177.6	0	0	0	0	113.9	N13	N13-S15 VanDerWaalsContact C-N 3.34Å; N13-S15 PolarHBondContact O-N 3.37Å
16	S	55	Low	54.3	Low	50 Å²	50	99.3 Å²	99.3	35%	0.35	62%	0.624	S	S	.	*	H	α-helix	trans	-78.4	-40.3	-177.5	49.4	0	0	0	0	112.1	N13 C19 Q20	N13-S16 PolarHBondContact O-OG 3.47Å; S16-C19 PolarHBondContact O-N 3.09Å; S16-Q20 WeakPolarHBondContact O-CG 3.39Å; S16-Q20 PolarHBondContact O-N 3.4Å; S16-Q20 VanDerWaalsContact O-N 3.09Å
17	D	57.9	Low	56.1	Low	83 Å²	83	101.5 Å²	101.5	44%	0.444	62%	0.623	S	S	.	*	H	α-helix	trans	-70.5	-39.6	-173.9	-66.4	-3.1	0	0	0	111.3	C19 Q20 D21	D17-C19 VanDerWaalsContact C-N 3.34Å; D17-C19 PolarHBondContact O-N 3.17Å; D17-Q20 PolarHBondContact O-N 2.9Å; D17-D21 WeakPolarHBondContact O-CB 3.47Å; D17-D21 PolarHBondContact O-N 3.26Å
18	V	58.9	Low	58.6	Low	97 Å²	97	102.7 Å²	102.7	59%	0.588	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-36.4	177.7	-178.6	0	0	0	0	112.1	G14 A22	G14-V18 WeakPolarHBondContact O-CG2 3.44Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.4Å
19	C	62.7	Low	60.9	Low	86 Å²	86	98 Å²	98	58%	0.581	58%	0.582	S	S	*	*	H	α-helix	trans	-72.8	-35.1	176.8	-72.3	0	0	0	0	112.2	S16 D17 A23	S16-C19 PolarHBondContact O-N 3.09Å; D17-C19 VanDerWaalsContact C-N 3.34Å; D17-C19 PolarHBondContact O-N 3.17Å; C19-A23 WeakPolarHBondContact O-CB 3.44Å; C19-A23 PolarHBondContact O-N 2.99Å; C19-A23 VanDerWaalsContact O-N 3.15Å
20	Q	62.6	Low	64	Low	117 Å²	117	93.6 Å²	93.6	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-68.5	-46.4	174.8	-76.2	178.7	-15.2	0	0	111.4	S16 D17 A22 A23 E24	S16-Q20 WeakPolarHBondContact O-CG 3.39Å; S16-Q20 PolarHBondContact O-N 3.4Å; S16-Q20 VanDerWaalsContact O-N 3.09Å; D17-Q20 PolarHBondContact O-N 2.9Å; Q20-A22 VanDerWaalsContact C-N 3.3Å; Q20-A22 PolarHBondContact O-N 2.9Å; Q20-A23 PolarHBondContact O-N 3.16Å; Q20-A23 VanDerWaalsContact O-N 3.16Å; Q20-E24 WeakPolarHBondContact O-CG 3.47Å; Q20-E24 PolarHBondContact O-N 3.33Å
21	D	67.6	Low	67	Low	107 Å²	107	90.6 Å²	90.6	57%	0.572	52%	0.516	S	S	*	.	H	α-helix	trans	-59.5	-40	177.2	-76.1	-19.2	0	0	0	112.4	D17 K25	D17-D21 WeakPolarHBondContact O-CB 3.47Å; D17-D21 PolarHBondContact O-N 3.26Å; D21-K25 VanDerWaalsContact O-CB 3.26Å; D21-K25 WeakPolarHBondContact O-CB 3.45Å; D21-K25 PolarHBondContact O-N 3.15Å
22	A	65.5	Low	69.7	Low	47 Å²	47	87.1 Å²	87.1	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-38.2	177.4	0	0	0	0	0	112.7	V18 Q20 Q26	V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.4Å; Q20-A22 VanDerWaalsContact C-N 3.3Å; Q20-A22 PolarHBondContact O-N 2.9Å; A22-Q26 WeakPolarHBondContact O-CG 3.26Å; A22-Q26 PolarHBondContact O-N 3.28Å
23	A	68.9	Low	72	Confident	56 Å²	56	84.5 Å²	84.5	46%	0.463	47%	0.466	S	S	.	.	H	α-helix	trans	-69.2	-45.3	176.9	0	0	0	0	0	111.6	C19 Q20 K25 Q26 E27	C19-A23 WeakPolarHBondContact O-CB 3.44Å; C19-A23 PolarHBondContact O-N 2.99Å; C19-A23 VanDerWaalsContact O-N 3.15Å; Q20-A23 PolarHBondContact O-N 3.16Å; Q20-A23 VanDerWaalsContact O-N 3.16Å; A23-K25 VanDerWaalsContact C-N 3.3Å; A23-K25 PolarHBondContact O-N 3.09Å; A23-Q26 PolarHBondContact O-N 3.21Å; A23-E27 PolarHBondContact O-N 3.05Å; A23-E27 VanDerWaalsContact O-N 3.09Å
24	E	70.9	Confident	74.5	Confident	108 Å²	108	79.3 Å²	79.3	51%	0.505	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-39.2	175.7	-74.2	-170.2	-173.7	0	0	112.1	Q20 E27 K28	Q20-E24 WeakPolarHBondContact O-CG 3.47Å; Q20-E24 PolarHBondContact O-N 3.33Å; E24-E27 PolarHBondContact O-N 3.33Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.36Å
25	K	70.4	Confident	77	Confident	119 Å²	119	76.5 Å²	76.5	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-44.5	174.7	-174.4	175.6	177.7	-177.2	0	111.8	D21 A23 E27 K28 E29	D21-K25 VanDerWaalsContact O-CB 3.26Å; D21-K25 WeakPolarHBondContact O-CB 3.45Å; D21-K25 PolarHBondContact O-N 3.15Å; A23-K25 VanDerWaalsContact C-N 3.3Å; A23-K25 PolarHBondContact O-N 3.09Å; K25-E27 PolarHBondContact O-N 3.32Å; K25-K28 PolarHBondContact O-N 3.46Å; K25-E29 WeakPolarHBondContact CE-OE1 3.2Å; K25-E29 HydrophobicContact CG-CG 4.48Å; K25-E29 IonicContact NZ-OE1 2.82Å; K25-E29 WeakPolarHBondContact O-CB 2.85Å; K25-E29 PolarHBondContact O-N 3.27Å
26	Q	73.7	Confident	79.3	Confident	119 Å²	119	72.5 Å²	72.5	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-63.5	-26.4	177.4	-79.8	-173.5	25.4	0	0	114	A22 A23 H30 R59	A22-Q26 WeakPolarHBondContact O-CG 3.26Å; A22-Q26 PolarHBondContact O-N 3.28Å; A23-Q26 PolarHBondContact O-N 3.21Å; Q26-H30 PolarHBondContact O-N 3.07Å; Q26-R59 PolarHBondContact O-NH1 3.4Å
27	E	81.1	Confident	81.3	Confident	148 Å²	148	74.6 Å²	74.6	69%	0.692	39%	0.386	S	S	*	.	H	α-helix	trans	-78.6	-42.9	175.6	-169.8	138	-143.9	0	0	111.5	A23 E24 K25 E29 H30	A23-E27 PolarHBondContact O-N 3.05Å; A23-E27 VanDerWaalsContact O-N 3.09Å; E24-E27 PolarHBondContact O-N 3.33Å; K25-E27 PolarHBondContact O-N 3.32Å; E27-E29 VanDerWaalsContact C-N 3.33Å; E27-E29 PolarHBondContact O-N 3.15Å; E27-H30 WeakPolarHBondContact O-CB 3.47Å; E27-H30 PolarHBondContact O-N 2.91Å; E27-H30 VanDerWaalsContact O-N 3.15Å
28	K	88.3	Confident	83.3	Confident	131 Å²	131	70.9 Å²	70.9	57%	0.57	37%	0.366	S	S	*	.	H	α-helix	trans	-63.8	-37	173.9	-71.2	173	-175.7	163.4	0	112.6	E24 K25 H30 V33	E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.36Å; K25-K28 PolarHBondContact O-N 3.46Å; K28-H30 VanDerWaalsContact C-N 3.26Å; K28-H30 PolarHBondContact O-N 3.45Å; K28-V33 WeakPolarHBondContact O-CG1 3.44Å
29	E	94	Very high	85.2	Confident	65 Å²	65	66.2 Å²	66.2	30%	0.304	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.3	177.2	-68	178.7	179.5	0	0	113.1	K25 E27 L34	K25-E29 WeakPolarHBondContact CE-OE1 3.2Å; K25-E29 HydrophobicContact CG-CG 4.48Å; K25-E29 IonicContact NZ-OE1 2.82Å; K25-E29 WeakPolarHBondContact O-CB 2.85Å; K25-E29 PolarHBondContact O-N 3.27Å; E27-E29 VanDerWaalsContact C-N 3.33Å; E27-E29 PolarHBondContact O-N 3.15Å; E29-L34 HydrophobicContact CB-CD2 4.48Å
30	H	97.5	Very high	86.9	Confident	48 Å²	48	68.2 Å²	68.2	22%	0.222	33%	0.333	C	S	.	.	S	Bend	trans	-59.8	132.5	172.6	-170.8	-72.4	0	0	0	109.8	Q26 E27 K28 R32 V33 L34 R59 Y64	Q26-H30 PolarHBondContact O-N 3.07Å; E27-H30 WeakPolarHBondContact O-CB 3.47Å; E27-H30 PolarHBondContact O-N 2.91Å; E27-H30 VanDerWaalsContact O-N 3.15Å; K28-H30 VanDerWaalsContact C-N 3.26Å; K28-H30 PolarHBondContact O-N 3.45Å; H30-R32 WeakPolarHBondContact ND1-CB 3.47Å; H30-R32 PolarHBondContact ND1-N 3Å; H30-R32 VanDerWaalsContact ND1-N 3.16Å; H30-R32 PolarHBondContact O-N 3.06Å; H30-V33 WeakPolarHBondContact O-CA 3.25Å; H30-V33 PolarHBondContact O-N 3.24Å; H30-L34 PolarHBondContact O-N 2.71Å; H30-R59 PolarHBondContact CD2-NH1 3.2Å; H30-Y64 AromaticContact CE1-CE1 3.78Å; H30-Y64 AromaticContact CE1-CZ 3.8Å; H30-Y64 PolarHBondContact CE1-OH 2.9Å
31	P	98.3	Very high	88.6	Confident	4 Å²	4	65.8 Å²	65.8	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-54.6	-32.1	-175.2	-31.9	36.8	0	0	0	115.1	V33 I35 L57 R59 Y64	P31-V33 PolarHBondContact O-N 2.58Å; P31-I35 HydrophobicContact CB-CD1 4.16Å; P31-I35 VanDerWaalsContact O-CB 3.26Å; P31-I35 WeakPolarHBondContact O-CB 3.45Å; P31-I35 WeakPolarHBondContact O-CG1 3.17Å; P31-I35 PolarHBondContact O-N 3.16Å; P31-L57 HydrophobicContact CB-CB 4.12Å; P31-L57 HydrophobicContact CB-CD2 4.33Å; P31-L57 HydrophobicContact CG-CB 4.12Å; P31-L57 HydrophobicContact CG-CD2 4.28Å; P31-R59 HydrophobicContact CG-CB 4.05Å; P31-Y64 HydrophobicContact CB-CD1 3.75Å; P31-Y64 HydrophobicContact CB-CD2 3.61Å; P31-Y64 HydrophobicContact CB-CE1 4.3Å; P31-Y64 HydrophobicContact CB-CE2 4.19Å; P31-Y64 HydrophobicContact CB-CG 3.38Å; P31-Y64 HydrophobicContact CG-CD2 3.69Å; P31-Y64 HydrophobicContact CG-CE2 3.98Å; P31-Y64 HydrophobicContact CG-CG 4.02Å
32	R	97.8	Very high	90.1	Very high	63 Å²	63	60.7 Å²	60.7	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-26.9	171.6	-69.3	-175.8	179.7	-76.9	-2.7	114.5	H30 P36 Y64 P77 M80 S91	H30-R32 WeakPolarHBondContact ND1-CB 3.47Å; H30-R32 PolarHBondContact ND1-N 3Å; H30-R32 VanDerWaalsContact ND1-N 3.16Å; H30-R32 PolarHBondContact O-N 3.06Å; R32-P36 WeakPolarHBondContact O-CD 3.33Å; R32-P36 VanDerWaalsContact O-CG 3.3Å; R32-P36 WeakPolarHBondContact O-CG 3.36Å; R32-Y64 HydrophobicContact CG-CD1 4.11Å; R32-Y64 HydrophobicContact CG-CE1 3.8Å; R32-P77 HydrophobicContact CB-CB 4.14Å; R32-P77 PolarHBondContact NH1-O 2.58Å; R32-P77 WeakPolarHBondContact O-CA 3.49Å; R32-P77 VanDerWaalsContact O-CB 3.29Å; R32-P77 WeakPolarHBondContact O-CB 3.34Å; R32-M80 HydrophobicContact CG-CB 4.34Å; R32-M80 HydrophobicContact CG-CG 4.14Å; R32-S91 PolarHBondContact NH2-OG 3.13Å
33	V	97.9	Very high	91.6	Very high	62 Å²	62	62.9 Å²	62.9	38%	0.376	30%	0.295	S	S	.	.	H	α-helix	trans	-95.3	-46.7	176.5	179.8	0	0	0	0	109.9	K28 H30 P31 P36 E37	K28-V33 WeakPolarHBondContact O-CG1 3.44Å; H30-V33 WeakPolarHBondContact O-CA 3.25Å; H30-V33 PolarHBondContact O-N 3.24Å; P31-V33 PolarHBondContact O-N 2.58Å; V33-P36 WeakPolarHBondContact O-CD 3.31Å; V33-E37 PolarHBondContact O-N 3.49Å
34	L	98.4	Very high	93.1	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-71.5	-38.2	-171.6	-174.9	58.9	0	0	0	113.6	E29 H30 E37 L38 L57 W211	E29-L34 HydrophobicContact CB-CD2 4.48Å; H30-L34 PolarHBondContact O-N 2.71Å; L34-E37 PolarHBondContact O-N 3.34Å; L34-L38 HydrophobicContact CD1-CD1 4Å; L34-L38 HydrophobicContact CD1-CG 3.96Å; L34-L38 HydrophobicContact CG-CD1 3.88Å; L34-L38 HydrophobicContact CG-CG 4.26Å; L34-L38 WeakPolarHBondContact O-CB 3.35Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.3Å; L34-L57 HydrophobicContact CD2-CD2 3.69Å; L34-L57 HydrophobicContact CG-CD2 4.25Å; L34-W211 HydrophobicContact CD1-CZ2 4.48Å; L34-W211 HydrophobicContact CD2-CD2 3.78Å; L34-W211 HydrophobicContact CD2-CG 3.82Å; L34-W211 HydrophobicContact CD2-CZ2 4.28Å
35	I	98.6	Very high	94.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.6	-50.9	177.4	-69.6	172.2	0	0	0	111.3	P31 E37 L38 C39 I55 L57 A66 M80	P31-I35 HydrophobicContact CB-CD1 4.16Å; P31-I35 VanDerWaalsContact O-CB 3.26Å; P31-I35 WeakPolarHBondContact O-CB 3.45Å; P31-I35 WeakPolarHBondContact O-CG1 3.17Å; P31-I35 PolarHBondContact O-N 3.16Å; I35-E37 VanDerWaalsContact C-N 3.3Å; I35-E37 PolarHBondContact O-N 2.84Å; I35-L38 PolarHBondContact O-N 3.25Å; I35-C39 WeakPolarHBondContact O-CB 3.24Å; I35-C39 PolarHBondContact O-N 3.12Å; I35-C39 PolarHBondContact O-SG 2.81Å; I35-C39 VanDerWaalsContact O-SG 3.39Å; I35-I55 HydrophobicContact CB-CG2 4.37Å; I35-I55 HydrophobicContact CG1-CG2 4.23Å; I35-I55 HydrophobicContact CG2-CG2 3.95Å; I35-L57 HydrophobicContact CD1-CB 4.34Å; I35-L57 HydrophobicContact CD1-CD1 4.44Å; I35-L57 HydrophobicContact CG1-CD1 3.95Å; I35-L57 HydrophobicContact CG1-CD2 4.5Å; I35-A66 HydrophobicContact CG2-CB 4.18Å; I35-M80 HydrophobicContact CB-SD 4.08Å; I35-M80 HydrophobicContact CD1-SD 4.1Å; I35-M80 HydrophobicContact CG2-CE 4.47Å; I35-M80 HydrophobicContact CG2-SD 3.8Å
36	P	98.5	Very high	95.7	Very high	8 Å²	8	62.5 Å²	62.5	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-55.1	-40.3	172.9	-29.5	34.7	0	0	0	114.6	R32 V33 R40 I75	R32-P36 WeakPolarHBondContact O-CD 3.33Å; R32-P36 VanDerWaalsContact O-CG 3.3Å; R32-P36 WeakPolarHBondContact O-CG 3.36Å; V33-P36 WeakPolarHBondContact O-CD 3.31Å; P36-R40 WeakPolarHBondContact O-CG 3.38Å; P36-R40 PolarHBondContact O-N 3.15Å; P36-R40 VanDerWaalsContact O-N 3.14Å; P36-R40 PolarHBondContact O-NE 3.3Å; P36-I75 HydrophobicContact CB-CB 4.39Å; P36-I75 HydrophobicContact CB-CG2 4.35Å; P36-I75 WeakPolarHBondContact CB-O 3.49Å; P36-I75 HydrophobicContact CG-CB 4.44Å; P36-I75 HydrophobicContact CG-CG2 3.87Å
37	E	98.4	Very high	96.9	Very high	93 Å²	93	57.2 Å²	57.2	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-51.8	177.1	-176.1	-176.1	154	0	0	112.1	V33 L34 I35 C39 R40 L41	V33-E37 PolarHBondContact O-N 3.49Å; L34-E37 PolarHBondContact O-N 3.34Å; I35-E37 VanDerWaalsContact C-N 3.3Å; I35-E37 PolarHBondContact O-N 2.84Å; E37-C39 VanDerWaalsContact C-N 3.34Å; E37-C39 PolarHBondContact O-N 2.89Å; E37-R40 WeakPolarHBondContact O-CB 3.46Å; E37-R40 PolarHBondContact O-N 2.88Å; E37-L41 PolarHBondContact O-N 2.7Å; E37-L41 VanDerWaalsContact O-N 3.12Å
38	L	98.6	Very high	97.7	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-39.4	179.5	-70.4	177.2	0	0	0	111.7	L34 I35 R40 L41 F42 I55 W211 K215	L34-L38 HydrophobicContact CD1-CD1 4Å; L34-L38 HydrophobicContact CD1-CG 3.96Å; L34-L38 HydrophobicContact CG-CD1 3.88Å; L34-L38 HydrophobicContact CG-CG 4.26Å; L34-L38 WeakPolarHBondContact O-CB 3.35Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.3Å; I35-L38 PolarHBondContact O-N 3.25Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.49Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 PolarHBondContact O-N 2.77Å; L38-F42 HydrophobicContact CB-CD2 4.41Å; L38-F42 HydrophobicContact CB-CE2 3.86Å; L38-F42 HydrophobicContact CB-CZ 3.94Å; L38-F42 HydrophobicContact CD2-CE1 4.47Å; L38-F42 HydrophobicContact CD2-CZ 4.22Å; L38-F42 HydrophobicContact CG-CZ 4.48Å; L38-F42 WeakPolarHBondContact O-CB 3.3Å; L38-F42 WeakPolarHBondContact O-CD1 3.22Å; L38-F42 VanDerWaalsContact O-CD2 3.32Å; L38-F42 WeakPolarHBondContact O-CD2 3.26Å; L38-F42 WeakPolarHBondContact O-CG 3.29Å; L38-F42 PolarHBondContact O-N 2.79Å; L38-I55 HydrophobicContact CB-CG2 4.37Å; L38-I55 HydrophobicContact CD1-CD1 3.61Å; L38-W211 HydrophobicContact CD1-CD2 4.43Å; L38-W211 HydrophobicContact CD1-CE3 3.79Å; L38-W211 HydrophobicContact CD1-CZ3 4.32Å; L38-W211 HydrophobicContact CD2-CE3 4.34Å; L38-W211 HydrophobicContact CD2-CZ3 4.09Å; L38-K215 HydrophobicContact CD2-CD 3.89Å
39	C	98.6	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-36.4	175.1	-76.8	0	0	0	0	112.8	I35 E37 Y43 V48 K72 I75	I35-C39 WeakPolarHBondContact O-CB 3.24Å; I35-C39 PolarHBondContact O-N 3.12Å; I35-C39 PolarHBondContact O-SG 2.81Å; I35-C39 VanDerWaalsContact O-SG 3.39Å; E37-C39 VanDerWaalsContact C-N 3.34Å; E37-C39 PolarHBondContact O-N 2.89Å; C39-Y43 VanDerWaalsContact O-CB 3.32Å; C39-Y43 WeakPolarHBondContact O-CB 3.06Å; C39-Y43 PolarHBondContact O-N 3.41Å; C39-V48 WeakPolarHBondContact O-CG2 3.48Å; C39-K72 HydrophobicContact CB-CB 4.31Å; C39-K72 WeakPolarHBondContact CB-O 3.26Å; C39-I75 HydrophobicContact CB-CD1 3.97Å
40	R	98.6	Very high	98.3	Very high	128 Å²	128	47.2 Å²	47.2	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-44.8	172.3	-77.6	-179.7	-67.8	135.2	-4.9	111.7	P36 E37 L38 Y43 Q44 E73	P36-R40 WeakPolarHBondContact O-CG 3.38Å; P36-R40 PolarHBondContact O-N 3.15Å; P36-R40 VanDerWaalsContact O-N 3.14Å; P36-R40 PolarHBondContact O-NE 3.3Å; E37-R40 WeakPolarHBondContact O-CB 3.46Å; E37-R40 PolarHBondContact O-N 2.88Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.49Å; R40-Y43 PolarHBondContact O-N 3.48Å; R40-Q44 PolarHBondContact O-N 2.92Å; R40-E73 HydrophobicContact CG-CB 4.18Å; R40-E73 WeakPolarHBondContact CG-O 3.39Å
41	L	98.6	Very high	98.2	Very high	65 Å²	65	48 Å²	48	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-49.9	176.2	178	64.1	0	0	0	111.3	E37 L38 Y43 Q44 L45	E37-L41 PolarHBondContact O-N 2.7Å; E37-L41 VanDerWaalsContact O-N 3.12Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 PolarHBondContact O-N 2.77Å; L41-Y43 PolarHBondContact O-N 3.03Å; L41-Q44 WeakPolarHBondContact O-CB 3.38Å; L41-Q44 PolarHBondContact O-N 2.96Å; L41-L45 PolarHBondContact O-N 3.19Å; L41-L45 VanDerWaalsContact O-N 3.11Å
42	F	98.7	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-31.3	-179.8	-61.1	-18.7	0	0	0	112.2	L38 L45 G46 W47 V48 I55 I121 K215	L38-F42 HydrophobicContact CB-CD2 4.41Å; L38-F42 HydrophobicContact CB-CE2 3.86Å; L38-F42 HydrophobicContact CB-CZ 3.94Å; L38-F42 HydrophobicContact CD2-CE1 4.47Å; L38-F42 HydrophobicContact CD2-CZ 4.22Å; L38-F42 HydrophobicContact CG-CZ 4.48Å; L38-F42 WeakPolarHBondContact O-CB 3.3Å; L38-F42 WeakPolarHBondContact O-CD1 3.22Å; L38-F42 VanDerWaalsContact O-CD2 3.32Å; L38-F42 WeakPolarHBondContact O-CD2 3.26Å; L38-F42 WeakPolarHBondContact O-CG 3.29Å; L38-F42 PolarHBondContact O-N 2.79Å; F42-L45 HydrophobicContact CD1-CD1 4.32Å; F42-L45 PolarHBondContact O-N 2.72Å; F42-G46 PolarHBondContact O-N 3Å; F42-W47 HydrophobicContact CB-CB 4.17Å; F42-W47 HydrophobicContact CB-CE3 4.21Å; F42-W47 AromaticContact CD1-CE3 3.56Å; F42-W47 HydrophobicContact CD1-CE3 3.56Å; F42-W47 AromaticContact CD1-CZ3 3.74Å; F42-W47 HydrophobicContact CD1-CZ3 3.74Å; F42-W47 HydrophobicContact CE1-CE3 4.08Å; F42-W47 AromaticContact CE1-CZ3 3.81Å; F42-W47 HydrophobicContact CE1-CZ3 3.81Å; F42-W47 AromaticContact CG-CE3 3.9Å; F42-W47 HydrophobicContact CG-CE3 3.9Å; F42-W47 HydrophobicContact CG-CZ3 4.46Å; F42-W47 WeakPolarHBondContact O-CB 3.29Å; F42-W47 PolarHBondContact O-N 3.21Å; F42-V48 HydrophobicContact CB-CG1 3.99Å; F42-V48 HydrophobicContact CB-CG2 3.7Å; F42-I55 HydrophobicContact CE2-CB 4.09Å; F42-I55 HydrophobicContact CE2-CD1 4.07Å; F42-I55 HydrophobicContact CE2-CG2 4.22Å; F42-I55 HydrophobicContact CZ-CD1 4.42Å; F42-I121 HydrophobicContact CE2-CD1 4.18Å; F42-I121 HydrophobicContact CE2-CG1 4.3Å; F42-I121 HydrophobicContact CE2-CG2 4.29Å; F42-I121 HydrophobicContact CZ-CD1 3.88Å; F42-I121 HydrophobicContact CZ-CG1 4.49Å; F42-K215 HydrophobicContact CE1-CD 4.18Å; F42-K215 HydrophobicContact CE1-CG 4.07Å; F42-K215 HydrophobicContact CZ-CD 4.36Å; F42-K215 HydrophobicContact CZ-CG 4.22Å
43	Y	98.7	Very high	97.9	Very high	94 Å²	94	45.5 Å²	45.5	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.9	178.3	-88.3	0	0	0	111.1	C39 R40 L41 L45 G46 V48 E73	C39-Y43 VanDerWaalsContact O-CB 3.32Å; C39-Y43 WeakPolarHBondContact O-CB 3.06Å; C39-Y43 PolarHBondContact O-N 3.41Å; R40-Y43 PolarHBondContact O-N 3.48Å; L41-Y43 PolarHBondContact O-N 3.03Å; Y43-L45 VanDerWaalsContact C-N 3.28Å; Y43-L45 PolarHBondContact O-N 2.97Å; Y43-G46 PolarHBondContact O-N 3.2Å; Y43-V48 VanDerWaalsContact N-CG2 3.34Å; Y43-E73 HydrophobicContact CD1-CB 3.95Å; Y43-E73 HydrophobicContact CD1-CG 4.11Å; Y43-E73 HydrophobicContact CD2-CB 4.14Å; Y43-E73 HydrophobicContact CD2-CG 4.26Å; Y43-E73 WeakPolarHBondContact CD2-OE2 3.4Å; Y43-E73 HydrophobicContact CE1-CG 4.21Å; Y43-E73 HydrophobicContact CE2-CG 4.33Å; Y43-E73 WeakPolarHBondContact CE2-OE2 3.37Å; Y43-E73 HydrophobicContact CG-CB 3.72Å; Y43-E73 HydrophobicContact CG-CG 4.14Å
44	Q	98.6	Very high	97.9	Very high	160 Å²	160	42.7 Å²	42.7	75%	0.748	24%	0.236	S	C	*	.	H	α-helix	trans	-63.8	-33.1	176.5	-67	177.2	-8.5	0	0	112.5	R40 L41 G46	R40-Q44 PolarHBondContact O-N 2.92Å; L41-Q44 WeakPolarHBondContact O-CB 3.38Å; L41-Q44 PolarHBondContact O-N 2.96Å; Q44-G46 PolarHBondContact O-N 3.25Å
45	L	98.3	Very high	97.9	Very high	85 Å²	85	42.5 Å²	42.5	45%	0.445	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.5	172.4	-62.1	176.4	0	0	0	113.3	L41 F42 Y43 W47	L41-L45 PolarHBondContact O-N 3.19Å; L41-L45 VanDerWaalsContact O-N 3.11Å; F42-L45 HydrophobicContact CD1-CD1 4.32Å; F42-L45 PolarHBondContact O-N 2.72Å; Y43-L45 VanDerWaalsContact C-N 3.28Å; Y43-L45 PolarHBondContact O-N 2.97Å; L45-W47 VanDerWaalsContact C-N 3.31Å; L45-W47 HydrophobicContact CB-CD2 4.07Å; L45-W47 HydrophobicContact CB-CG 4.02Å; L45-W47 HydrophobicContact CD1-CD2 4.04Å; L45-W47 HydrophobicContact CD1-CE3 4.02Å; L45-W47 HydrophobicContact CD1-CH2 4Å; L45-W47 HydrophobicContact CD1-CZ2 4Å; L45-W47 HydrophobicContact CD1-CZ3 4Å
46	G	98.5	Very high	97.9	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	10.4	-176.2	0	0	0	0	0	114.4	F42 Y43 Q44	F42-G46 PolarHBondContact O-N 3Å; Y43-G46 PolarHBondContact O-N 3.2Å; Q44-G46 PolarHBondContact O-N 3.25Å
47	W	98.7	Very high	97.9	Very high	8 Å²	8	42.5 Å²	42.5	3%	0.03	23%	0.234	C	C	.	.	S	Bend	trans	-79.6	-31.6	-175.2	-70.9	-1.2	0	0	0	114	F42 L45 T123 H124 C218 E219 D222	F42-W47 HydrophobicContact CB-CB 4.17Å; F42-W47 HydrophobicContact CB-CE3 4.21Å; F42-W47 AromaticContact CD1-CE3 3.56Å; F42-W47 HydrophobicContact CD1-CE3 3.56Å; F42-W47 AromaticContact CD1-CZ3 3.74Å; F42-W47 HydrophobicContact CD1-CZ3 3.74Å; F42-W47 HydrophobicContact CE1-CE3 4.08Å; F42-W47 AromaticContact CE1-CZ3 3.81Å; F42-W47 HydrophobicContact CE1-CZ3 3.81Å; F42-W47 AromaticContact CG-CE3 3.9Å; F42-W47 HydrophobicContact CG-CE3 3.9Å; F42-W47 HydrophobicContact CG-CZ3 4.46Å; F42-W47 WeakPolarHBondContact O-CB 3.29Å; F42-W47 PolarHBondContact O-N 3.21Å; L45-W47 VanDerWaalsContact C-N 3.31Å; L45-W47 HydrophobicContact CB-CD2 4.07Å; L45-W47 HydrophobicContact CB-CG 4.02Å; L45-W47 HydrophobicContact CD1-CD2 4.04Å; L45-W47 HydrophobicContact CD1-CE3 4.02Å; L45-W47 HydrophobicContact CD1-CH2 4Å; L45-W47 HydrophobicContact CD1-CZ2 4Å; L45-W47 HydrophobicContact CD1-CZ3 4Å; W47-T123 HydrophobicContact CB-CG2 3.81Å; W47-T123 HydrophobicContact CD2-CG2 3.94Å; W47-T123 HydrophobicContact CE3-CG2 3.92Å; W47-T123 HydrophobicContact CG-CG2 3.93Å; W47-T123 CarbonylContact O-C 3.58Å; W47-T123 WeakPolarHBondContact O-CA 3.18Å; W47-H124 PolarHBondContact O-N 3.32Å; W47-C218 HydrophobicContact CH2-CB 4.22Å; W47-C218 HydrophobicContact CZ3-CB 4.21Å; W47-E219 HydrophobicContact CH2-CB 4.3Å; W47-E219 HydrophobicContact CH2-CG 3.57Å; W47-E219 HydrophobicContact CZ2-CG 4.31Å; W47-E219 HydrophobicContact CZ3-CG 4.49Å; W47-D222 HydrophobicContact CZ2-CB 3.83Å; W47-D222 VanDerWaalsContact NE1-CG 3.35Å; W47-D222 PolarHBondContact NE1-OD2 3.3Å
48	V	98.2	Very high	97.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.226	C	C	.	.	S	Bend	trans	-125.8	39.6	-173.3	-58.7	0	0	0	0	112.4	C39 F42 Y43 G52 K72	C39-V48 WeakPolarHBondContact O-CG2 3.48Å; F42-V48 HydrophobicContact CB-CG1 3.99Å; F42-V48 HydrophobicContact CB-CG2 3.7Å; Y43-V48 VanDerWaalsContact N-CG2 3.34Å; V48-G52 CarbonylContact C-O 3.37Å; V48-G52 WeakPolarHBondContact CA-O 3.46Å; V48-G52 WeakPolarHBondContact CB-O 3.19Å; V48-K72 HydrophobicContact CB-CB 4.13Å; V48-K72 HydrophobicContact CB-CG 4.08Å; V48-K72 HydrophobicContact CG2-CB 3.75Å; V48-K72 HydrophobicContact CG2-CG 4.27Å
49	T	97.7	Very high	97.8	Very high	65 Å²	65	45.9 Å²	45.9	40%	0.399	24%	0.243	S	C	.	.			trans	-75.1	157.2	179.1	60	0	0	0	0	112.5	T51 G52	T49-T51 VanDerWaalsContact C-N 3.26Å; T49-T51 PolarHBondContact O-N 2.84Å; T49-G52 PolarHBondContact O-N 3.04Å; T49-G52 VanDerWaalsContact O-N 3.14Å
50	G	96.7	Very high	97.6	Very high	68 Å²	68	48.4 Å²	48.4	70%	0.701	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	32.6	171.5	0	0	0	0	0	113.8	G52	G50-G52 PolarHBondContact O-N 3.47Å; G50-G52 VanDerWaalsContact O-N 3.15Å
51	T	96.4	Very high	97.5	Very high	64 Å²	64	48.3 Å²	48.3	39%	0.393	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-1.7	-176.1	80.8	0	0	0	0	115.8	T49 G69 V70 K72	T49-T51 VanDerWaalsContact C-N 3.26Å; T49-T51 PolarHBondContact O-N 2.84Å; T51-G69 WeakPolarHBondContact CG2-O 3.38Å; T51-V70 WeakPolarHBondContact CB-O 3.45Å; T51-K72 WeakPolarHBondContact O-CE 3.46Å; T51-K72 PolarHBondContact O-NZ 3.31Å
52	G	94.3	Very high	97.4	Very high	11 Å²	11	48.4 Å²	48.4	11%	0.113	28%	0.276	C	S	.	.			trans	-78.6	164.7	177.4	0	0	0	0	0	113.5	V48 T49 G50 H124	V48-G52 CarbonylContact C-O 3.37Å; V48-G52 WeakPolarHBondContact CA-O 3.46Å; V48-G52 WeakPolarHBondContact CB-O 3.19Å; T49-G52 PolarHBondContact O-N 3.04Å; T49-G52 VanDerWaalsContact O-N 3.14Å; G50-G52 PolarHBondContact O-N 3.47Å; G50-G52 VanDerWaalsContact O-N 3.15Å; G52-H124 VanDerWaalsContact CA-CE1 3.46Å; G52-H124 WeakPolarHBondContact CA-CE1 3.41Å
53	G	95.9	Very high	97.4	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	28%	0.276	C	S	.	.			trans	63.4	-170.6	-177.8	0	0	0	0	0	114.7	K72 H122 H124	G53-K72 WeakPolarHBondContact O-CE 3.35Å; G53-H122 CarbonylContact C-O 3.55Å; G53-H122 WeakPolarHBondContact CA-O 3.28Å; G53-H124 PolarHBondContact N-CD2 3.06Å; G53-H124 PolarHBondContact N-NE2 3.5Å
54	G	96.5	Very high	97.4	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.6	-173	177.7	0	0	0	0	0	112.2	H122	G54-H122 PolarHBondContact N-O 2.82Å; G54-H122 PolarHBondContact O-N 2.98Å
55	I	98.3	Very high	97.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.4	175.8	-174.5	176.2	0	0	0	109.6	I35 L38 F42 L57 V120 I121	I35-I55 HydrophobicContact CB-CG2 4.37Å; I35-I55 HydrophobicContact CG1-CG2 4.23Å; I35-I55 HydrophobicContact CG2-CG2 3.95Å; L38-I55 HydrophobicContact CB-CG2 4.37Å; L38-I55 HydrophobicContact CD1-CD1 3.61Å; F42-I55 HydrophobicContact CE2-CB 4.09Å; F42-I55 HydrophobicContact CE2-CD1 4.07Å; F42-I55 HydrophobicContact CE2-CG2 4.22Å; F42-I55 HydrophobicContact CZ-CD1 4.42Å; I55-L57 HydrophobicContact CD1-CD1 3.42Å; I55-L57 VanDerWaalsContact CD1-CD1 3.42Å; I55-L57 HydrophobicContact CG1-CD1 3.5Å; I55-L57 VanDerWaalsContact CG1-CD1 3.5Å; I55-V120 CarbonylContact C-O 3.51Å; I55-V120 WeakPolarHBondContact CA-O 3.36Å; I55-V120 WeakPolarHBondContact CG1-O 3.39Å; I55-I121 HydrophobicContact CB-CG1 4.21Å; I55-I121 HydrophobicContact CD1-CD1 4.16Å; I55-I121 HydrophobicContact CD1-CG1 3.7Å; I55-I121 HydrophobicContact CG1-CG1 3.71Å
56	S	98.6	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.3	169.1	177.8	0	0	0	0	109.2	I63 Y64 Y112 A119 V120	S56-I63 WeakPolarHBondContact OG-CG2 3.46Å; S56-Y64 VanDerWaalsContact CA-O 3.26Å; S56-Y64 WeakPolarHBondContact CA-O 3.29Å; S56-Y64 WeakPolarHBondContact CB-O 3.14Å; S56-Y64 PolarHBondContact OG-O 3.13Å; S56-Y112 VanDerWaalsContact CB-OH 3.3Å; S56-Y112 WeakPolarHBondContact CB-OH 3.45Å; S56-Y112 PolarHBondContact O-OH 2.94Å; S56-Y112 PolarHBondContact OG-OH 3.09Å; S56-A119 CarbonylContact O-C 3.58Å; S56-A119 VanDerWaalsContact O-CA 3.28Å; S56-A119 WeakPolarHBondContact O-CA 3.14Å; S56-V120 PolarHBondContact N-O 2.7Å; S56-V120 PolarHBondContact O-N 3.4Å
57	L	98.6	Very high	97	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.1	177.4	-89.1	63.1	0	0	0	110.3	P31 L34 I35 I55 Y64 Y112 A119 W211	P31-L57 HydrophobicContact CB-CB 4.12Å; P31-L57 HydrophobicContact CB-CD2 4.33Å; P31-L57 HydrophobicContact CG-CB 4.12Å; P31-L57 HydrophobicContact CG-CD2 4.28Å; L34-L57 HydrophobicContact CD2-CD2 3.69Å; L34-L57 HydrophobicContact CG-CD2 4.25Å; I35-L57 HydrophobicContact CD1-CB 4.34Å; I35-L57 HydrophobicContact CD1-CD1 4.44Å; I35-L57 HydrophobicContact CG1-CD1 3.95Å; I35-L57 HydrophobicContact CG1-CD2 4.5Å; I55-L57 HydrophobicContact CD1-CD1 3.42Å; I55-L57 VanDerWaalsContact CD1-CD1 3.42Å; I55-L57 HydrophobicContact CG1-CD1 3.5Å; I55-L57 VanDerWaalsContact CG1-CD1 3.5Å; L57-Y64 PolarHBondContact N-O 2.83Å; L57-Y64 PolarHBondContact O-N 3.38Å; L57-Y112 WeakPolarHBondContact CA-OH 3.45Å; L57-Y112 PolarHBondContact N-OH 3.24Å; L57-A119 HydrophobicContact CD1-CB 4.16Å; L57-A119 HydrophobicContact CG-CB 4.25Å; L57-W211 HydrophobicContact CD1-CB 4.27Å; L57-W211 HydrophobicContact CD2-CB 4.08Å; L57-W211 HydrophobicContact CD2-CG 4.4Å; L57-W211 HydrophobicContact CG-CB 4.11Å
58	R	98.3	Very high	96.7	Very high	71 Å²	71	32.8 Å²	32.8	27%	0.268	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.7	167.4	-175.4	176.7	179.1	169.9	2.7	110	G60 D61 Q62 I63 Y112 Q118	R58-G60 WeakPolarHBondContact CG-O 3.3Å; R58-G60 PolarHBondContact NE-O 2.8Å; R58-D61 IonicContact NH2-OD1 2.63Å; R58-Q62 CarbonylContact C-O 3.53Å; R58-Q62 WeakPolarHBondContact CA-O 3.44Å; R58-I63 HydrophobicContact CB-CG1 4.45Å; R58-I63 HydrophobicContact CG-CG1 4.28Å; R58-Y112 HydrophobicContact CB-CD1 4.29Å; R58-Y112 HydrophobicContact CB-CE1 3.81Å; R58-Q118 PolarHBondContact N-O 3.1Å
59	R	96.7	Very high	96.5	Very high	98 Å²	98	35.1 Å²	35.1	37%	0.37	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	105.1	170.2	-176.1	177.1	-179.9	156	3.3	108.6	Q26 H30 P31 D61 Q62 Y64	Q26-R59 PolarHBondContact O-NH1 3.4Å; H30-R59 PolarHBondContact CD2-NH1 3.2Å; P31-R59 HydrophobicContact CG-CB 4.05Å; R59-D61 PolarHBondContact O-N 2.78Å; R59-Q62 PolarHBondContact N-O 2.91Å; R59-Q62 PolarHBondContact O-N 2.84Å; R59-Q62 VanDerWaalsContact O-N 3.15Å; R59-Y64 HydrophobicContact CB-CE2 4.15Å
60	G	95.4	Very high	96.4	Very high	52 Å²	52	33.4 Å²	33.4	54%	0.536	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-124.6	-170.1	0	0	0	0	0	110.8	R58 Q62	R58-G60 WeakPolarHBondContact CG-O 3.3Å; R58-G60 PolarHBondContact NE-O 2.8Å; G60-Q62 VanDerWaalsContact C-N 3.34Å
61	D	95.2	Very high	96.5	Very high	126 Å²	126	35.3 Å²	35.3	67%	0.674	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	1.8	178.3	-59.4	-38.5	0	0	0	113.6	R58 R59	R58-D61 IonicContact NH2-OD1 2.63Å; R59-D61 PolarHBondContact O-N 2.78Å
62	Q	98.1	Very high	96.5	Very high	68 Å²	68	32.5 Å²	32.5	32%	0.318	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.8	-178.2	-66.1	-178.1	-24.2	0	0	111.5	R58 R59 G60 Y64 V82 I90	R58-Q62 CarbonylContact C-O 3.53Å; R58-Q62 WeakPolarHBondContact CA-O 3.44Å; R59-Q62 PolarHBondContact N-O 2.91Å; R59-Q62 PolarHBondContact O-N 2.84Å; R59-Q62 VanDerWaalsContact O-N 3.15Å; G60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-Y64 HydrophobicContact CB-CD2 4.32Å; Q62-Y64 HydrophobicContact CB-CE2 3.65Å; Q62-Y64 PolarHBondContact OE1-OH 3.48Å; Q62-V82 HydrophobicContact CB-CG1 3.7Å; Q62-V82 HydrophobicContact CG-CG1 3.96Å; Q62-I90 HydrophobicContact CG-CD1 3.9Å
63	I	98.5	Very high	96.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.9	174.1	-61.4	173	0	0	0	108.1	S56 R58 I65 V82 C83 M109 Y112	S56-I63 WeakPolarHBondContact OG-CG2 3.46Å; R58-I63 HydrophobicContact CB-CG1 4.45Å; R58-I63 HydrophobicContact CG-CG1 4.28Å; I63-I65 HydrophobicContact CG2-CD1 4.13Å; I63-I65 HydrophobicContact CG2-CG1 4.04Å; I63-V82 VanDerWaalsContact O-CA 3.29Å; I63-V82 WeakPolarHBondContact O-CA 3.38Å; I63-C83 PolarHBondContact N-O 3Å; I63-C83 PolarHBondContact O-N 3.29Å; I63-M109 HydrophobicContact CD1-CE 3.71Å; I63-M109 HydrophobicContact CD1-SD 3.7Å; I63-Y112 HydrophobicContact CD1-CD2 3.86Å; I63-Y112 HydrophobicContact CD1-CE2 4.29Å; I63-Y112 HydrophobicContact CD1-CG 4.09Å; I63-Y112 HydrophobicContact CG1-CD2 4.49Å; I63-Y112 HydrophobicContact CG1-CE2 4.48Å; I63-Y112 HydrophobicContact CG2-CD2 4.1Å; I63-Y112 HydrophobicContact CG2-CE2 3.48Å; I63-Y112 VanDerWaalsContact CG2-CE2 3.48Å
64	Y	98.6	Very high	96.8	Very high	8 Å²	8	41.9 Å²	41.9	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.5	-178.6	-70.4	-102.6	0	0	0	110.3	H30 P31 R32 S56 L57 R59 Q62 M80 F81 V82	H30-Y64 AromaticContact CE1-CE1 3.78Å; H30-Y64 AromaticContact CE1-CZ 3.8Å; H30-Y64 PolarHBondContact CE1-OH 2.9Å; P31-Y64 HydrophobicContact CB-CD1 3.75Å; P31-Y64 HydrophobicContact CB-CD2 3.61Å; P31-Y64 HydrophobicContact CB-CE1 4.3Å; P31-Y64 HydrophobicContact CB-CE2 4.19Å; P31-Y64 HydrophobicContact CB-CG 3.38Å; P31-Y64 HydrophobicContact CG-CD2 3.69Å; P31-Y64 HydrophobicContact CG-CE2 3.98Å; P31-Y64 HydrophobicContact CG-CG 4.02Å; R32-Y64 HydrophobicContact CG-CD1 4.11Å; R32-Y64 HydrophobicContact CG-CE1 3.8Å; S56-Y64 VanDerWaalsContact CA-O 3.26Å; S56-Y64 WeakPolarHBondContact CA-O 3.29Å; S56-Y64 WeakPolarHBondContact CB-O 3.14Å; S56-Y64 PolarHBondContact OG-O 3.13Å; L57-Y64 PolarHBondContact N-O 2.83Å; L57-Y64 PolarHBondContact O-N 3.38Å; R59-Y64 HydrophobicContact CB-CE2 4.15Å; Q62-Y64 HydrophobicContact CB-CD2 4.32Å; Q62-Y64 HydrophobicContact CB-CE2 3.65Å; Q62-Y64 PolarHBondContact OE1-OH 3.48Å; Y64-M80 HydrophobicContact CD1-CB 4.44Å; Y64-F81 WeakPolarHBondContact CA-O 3.3Å; Y64-V82 HydrophobicContact CD1-CG2 3.59Å; Y64-V82 HydrophobicContact CE1-CG1 4.46Å; Y64-V82 HydrophobicContact CE1-CG2 3.49Å; Y64-V82 VanDerWaalsContact CE1-CG2 3.49Å; Y64-V82 HydrophobicContact CE2-CG1 4.33Å; Y64-V82 HydrophobicContact CG-CG2 4.27Å
65	I	97.6	Very high	96.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.1	-172.9	-60.1	167.4	0	0	0	109.1	I63 F81 K101 T105	I63-I65 HydrophobicContact CG2-CD1 4.13Å; I63-I65 HydrophobicContact CG2-CG1 4.04Å; I65-F81 HydrophobicContact CB-CB 4.43Å; I65-F81 PolarHBondContact N-O 3.44Å; I65-F81 PolarHBondContact O-N 3.16Å; I65-K101 HydrophobicContact CG2-CG 4.38Å; I65-T105 HydrophobicContact CD1-CG2 3.73Å
66	A	94.4	Very high	96.9	Very high	6 Å²	6	46.5 Å²	46.5	5%	0.05	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-67.5	150.9	172.9	0	0	0	0	0	111.8	I35 I75 M80 S102	I35-A66 HydrophobicContact CG2-CB 4.18Å; A66-I75 HydrophobicContact CB-CD1 3.88Å; A66-M80 HydrophobicContact CB-CE 4.15Å; A66-S102 WeakPolarHBondContact O-CB 3.43Å
67	P	94.8	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-68.5	151	178.1	30.6	-37.6	0	0	0	112.2	V70 K72 D79 F81 L99 K100	P67-V70 HydrophobicContact CB-CG1 4.12Å; P67-V70 HydrophobicContact CG-CB 4.35Å; P67-V70 HydrophobicContact CG-CG1 3.79Å; P67-V70 HydrophobicContact CG-CG2 3.62Å; P67-K72 PolarHBondContact O-NZ 3.38Å; P67-D79 WeakPolarHBondContact CD-O 3.43Å; P67-D79 HydrophobicContact CG-CB 4.09Å; P67-F81 HydrophobicContact CB-CD2 4.4Å; P67-F81 HydrophobicContact CB-CE2 3.98Å; P67-L99 HydrophobicContact CB-CB 4.18Å; P67-L99 HydrophobicContact CB-CD1 4.15Å; P67-L99 HydrophobicContact CB-CD2 4.27Å; P67-L99 HydrophobicContact CB-CG 4.43Å; P67-L99 HydrophobicContact CG-CD1 4.29Å; P67-K100 CarbonylContact C-O 3.37Å; P67-K100 WeakPolarHBondContact CA-O 3.12Å
68	S	92.8	Very high	96.8	Very high	33 Å²	33	52.6 Å²	52.6	23%	0.231	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	153	172.4	-165.5	0	0	0	0	111.4	V70 K100	S68-V70 PolarHBondContact O-N 2.97Å; S68-K100 PolarHBondContact N-O 2.85Å
69	G	92.4	Very high	96.7	Very high	50 Å²	50	49.9 Å²	49.9	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	2.5	168	0	0	0	0	0	116.9	T51	T51-G69 WeakPolarHBondContact CG2-O 3.38Å
70	V	96.6	Very high	96.8	Very high	28 Å²	28	45.2 Å²	45.2	17%	0.17	25%	0.247	C	C	.	.	S	Bend	trans	-90.3	155.5	175.7	-52.6	0	0	0	0	112.5	T51 P67 S68 K72 I75 L99	T51-V70 WeakPolarHBondContact CB-O 3.45Å; P67-V70 HydrophobicContact CB-CG1 4.12Å; P67-V70 HydrophobicContact CG-CB 4.35Å; P67-V70 HydrophobicContact CG-CG1 3.79Å; P67-V70 HydrophobicContact CG-CG2 3.62Å; S68-V70 PolarHBondContact O-N 2.97Å; V70-K72 PolarHBondContact O-N 3.43Å; V70-K72 PolarHBondContact O-NZ 3.13Å; V70-I75 HydrophobicContact CG2-CD1 4.47Å; V70-I75 HydrophobicContact CG2-CG1 3.84Å; V70-L99 HydrophobicContact CG1-CD2 3.76Å
71	Q	98.1	Very high	96.9	Very high	109 Å²	109	43.3 Å²	43.3	51%	0.509	22%	0.224	S	C	.	.			trans	-59.6	112.4	164.3	-76.9	165.9	74.2	0	0	109.4	E73 R74	Q71-E73 VanDerWaalsContact C-N 3.27Å; Q71-E73 VanDerWaalsContact C-OE2 3.3Å; Q71-E73 PolarHBondContact O-N 2.78Å; Q71-R74 HydrophobicContact CB-CB 4.09Å; Q71-R74 HydrophobicContact CB-CG 3.98Å; Q71-R74 PolarHBondContact O-N 3.13Å
72	K	97.9	Very high	97.1	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.3	-30	-168.5	-65.9	-71.5	-177.5	-85.6	0	112.1	C39 V48 T51 G53 P67 V70 R74 I75	C39-K72 HydrophobicContact CB-CB 4.31Å; C39-K72 WeakPolarHBondContact CB-O 3.26Å; V48-K72 HydrophobicContact CB-CB 4.13Å; V48-K72 HydrophobicContact CB-CG 4.08Å; V48-K72 HydrophobicContact CG2-CB 3.75Å; V48-K72 HydrophobicContact CG2-CG 4.27Å; T51-K72 WeakPolarHBondContact O-CE 3.46Å; T51-K72 PolarHBondContact O-NZ 3.31Å; G53-K72 WeakPolarHBondContact O-CE 3.35Å; P67-K72 PolarHBondContact O-NZ 3.38Å; V70-K72 PolarHBondContact O-N 3.43Å; V70-K72 PolarHBondContact O-NZ 3.13Å; K72-R74 PolarHBondContact O-N 2.98Å; K72-I75 HydrophobicContact CD-CD1 4.02Å; K72-I75 WeakPolarHBondContact O-CD1 3.4Å; K72-I75 WeakPolarHBondContact O-CG1 3.43Å
73	E	97.9	Very high	97	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.22	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-75.4	-4	174.4	77.9	-68.4	177.2	0	0	114.5	R40 Y43 Q71	R40-E73 HydrophobicContact CG-CB 4.18Å; R40-E73 WeakPolarHBondContact CG-O 3.39Å; Y43-E73 HydrophobicContact CD1-CB 3.95Å; Y43-E73 HydrophobicContact CD1-CG 4.11Å; Y43-E73 HydrophobicContact CD2-CB 4.14Å; Y43-E73 HydrophobicContact CD2-CG 4.26Å; Y43-E73 WeakPolarHBondContact CD2-OE2 3.4Å; Y43-E73 HydrophobicContact CE1-CG 4.21Å; Y43-E73 HydrophobicContact CE2-CG 4.33Å; Y43-E73 WeakPolarHBondContact CE2-OE2 3.37Å; Y43-E73 HydrophobicContact CG-CB 3.72Å; Y43-E73 HydrophobicContact CG-CG 4.14Å; Q71-E73 VanDerWaalsContact C-N 3.27Å; Q71-E73 VanDerWaalsContact C-OE2 3.3Å; Q71-E73 PolarHBondContact O-N 2.78Å
74	R	98.1	Very high	96.9	Very high	165 Å²	165	35 Å²	35	62%	0.623	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-120	4.4	-176.9	-57.5	-170.8	69.7	108.2	2.4	114.6	Q71 K72 Q76	Q71-R74 HydrophobicContact CB-CB 4.09Å; Q71-R74 HydrophobicContact CB-CG 3.98Å; Q71-R74 PolarHBondContact O-N 3.13Å; K72-R74 PolarHBondContact O-N 2.98Å; R74-Q76 PolarHBondContact O-N 3.26Å; R74-Q76 PolarHBondContact O-NE2 2.62Å
75	I	98.1	Very high	96.6	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.041	19%	0.194	C	C	.	.			trans	-54.8	135	178.3	-63.2	170.8	0	0	0	109.9	P36 C39 A66 V70 K72 D79 M80	P36-I75 HydrophobicContact CB-CB 4.39Å; P36-I75 HydrophobicContact CB-CG2 4.35Å; P36-I75 WeakPolarHBondContact CB-O 3.49Å; P36-I75 HydrophobicContact CG-CB 4.44Å; P36-I75 HydrophobicContact CG-CG2 3.87Å; C39-I75 HydrophobicContact CB-CD1 3.97Å; A66-I75 HydrophobicContact CB-CD1 3.88Å; V70-I75 HydrophobicContact CG2-CD1 4.47Å; V70-I75 HydrophobicContact CG2-CG1 3.84Å; K72-I75 HydrophobicContact CD-CD1 4.02Å; K72-I75 WeakPolarHBondContact O-CD1 3.4Å; K72-I75 WeakPolarHBondContact O-CG1 3.43Å; I75-D79 HydrophobicContact CG2-CB 4.37Å; I75-M80 HydrophobicContact CG2-CE 3.13Å
76	Q	98.1	Very high	96.3	Very high	93 Å²	93	42.2 Å²	42.2	44%	0.435	22%	0.222	S	C	.	.			trans	-103.7	155.8	172.5	-55.4	-57.6	-53.1	0	0	111.7	R74 E78 D79	R74-Q76 PolarHBondContact O-N 3.26Å; R74-Q76 PolarHBondContact O-NE2 2.62Å; Q76-E78 VanDerWaalsContact CB-CD 3.48Å; Q76-E78 WeakPolarHBondContact CB-OE1 3Å; Q76-E78 VanDerWaalsContact CB-OE2 3.26Å; Q76-E78 WeakPolarHBondContact CB-OE2 3.36Å; Q76-E78 PolarHBondContact O-N 2.9Å; Q76-D79 WeakPolarHBondContact CB-OD2 3.29Å; Q76-D79 PolarHBondContact N-OD2 3.12Å; Q76-D79 VanDerWaalsContact O-CB 3.28Å; Q76-D79 WeakPolarHBondContact O-CB 3.38Å; Q76-D79 PolarHBondContact O-N 2.82Å
77	P	97.4	Very high	96.3	Very high	51 Å²	51	45.5 Å²	45.5	33%	0.331	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-55.4	-33.3	-179.6	-29.1	37.5	0	0	0	115.6	R32 D79	R32-P77 HydrophobicContact CB-CB 4.14Å; R32-P77 PolarHBondContact NH1-O 2.58Å; R32-P77 WeakPolarHBondContact O-CA 3.49Å; R32-P77 VanDerWaalsContact O-CB 3.29Å; R32-P77 WeakPolarHBondContact O-CB 3.34Å; P77-D79 VanDerWaalsContact C-N 3.27Å; P77-D79 PolarHBondContact O-N 3.37Å
78	E	97	Very high	96.3	Very high	85 Å²	85	52.9 Å²	52.9	40%	0.397	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-78	-8.4	177.9	71.5	-82.4	-168.4	0	0	113.7	Q76 M80 K97	Q76-E78 VanDerWaalsContact CB-CD 3.48Å; Q76-E78 WeakPolarHBondContact CB-OE1 3Å; Q76-E78 VanDerWaalsContact CB-OE2 3.26Å; Q76-E78 WeakPolarHBondContact CB-OE2 3.36Å; Q76-E78 PolarHBondContact O-N 2.9Å; E78-M80 VanDerWaalsContact C-N 3.28Å; E78-M80 PolarHBondContact O-N 3.18Å; E78-K97 IonicContact OE1-NZ 3.9Å; E78-K97 PolarHBondContact OE1-NZ 3.49Å
79	D	97.8	Very high	96.4	Very high	14 Å²	14	55.9 Å²	55.9	8%	0.075	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82.9	-3.5	178.4	-60.6	-26.8	0	0	0	113.1	P67 I75 Q76 P77 P93 K97 L99	P67-D79 WeakPolarHBondContact CD-O 3.43Å; P67-D79 HydrophobicContact CG-CB 4.09Å; I75-D79 HydrophobicContact CG2-CB 4.37Å; Q76-D79 WeakPolarHBondContact CB-OD2 3.29Å; Q76-D79 PolarHBondContact N-OD2 3.12Å; Q76-D79 VanDerWaalsContact O-CB 3.28Å; Q76-D79 WeakPolarHBondContact O-CB 3.38Å; Q76-D79 PolarHBondContact O-N 2.82Å; P77-D79 VanDerWaalsContact C-N 3.27Å; P77-D79 PolarHBondContact O-N 3.37Å; D79-P93 VanDerWaalsContact C-CG 3.48Å; D79-P93 WeakPolarHBondContact O-CG 3.44Å; D79-K97 WeakPolarHBondContact OD1-CD 3.26Å; D79-K97 IonicContact OD1-NZ 2.58Å; D79-K97 PolarHBondContact OD1-NZ 3.39Å; D79-L99 HydrophobicContact CB-CD1 3.86Å
80	M	97.9	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.273	C	S	.	.			trans	-76.4	132.8	-176.8	-60.6	-63.6	91.3	0	0	112.8	R32 I35 Y64 A66 I75 E78	R32-M80 HydrophobicContact CG-CB 4.34Å; R32-M80 HydrophobicContact CG-CG 4.14Å; I35-M80 HydrophobicContact CB-SD 4.08Å; I35-M80 HydrophobicContact CD1-SD 4.1Å; I35-M80 HydrophobicContact CG2-CE 4.47Å; I35-M80 HydrophobicContact CG2-SD 3.8Å; Y64-M80 HydrophobicContact CD1-CB 4.44Å; A66-M80 HydrophobicContact CB-CE 4.15Å; I75-M80 HydrophobicContact CG2-CE 3.13Å; E78-M80 VanDerWaalsContact C-N 3.28Å; E78-M80 PolarHBondContact O-N 3.18Å
81	F	98.1	Very high	96.6	Very high	13 Å²	13	57.9 Å²	57.9	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.8	160.8	-70.3	-94.7	0	0	0	109.7	Y64 I65 P67 C92 P93 L99 K100 K101	Y64-F81 WeakPolarHBondContact CA-O 3.3Å; I65-F81 HydrophobicContact CB-CB 4.43Å; I65-F81 PolarHBondContact N-O 3.44Å; I65-F81 PolarHBondContact O-N 3.16Å; P67-F81 HydrophobicContact CB-CD2 4.4Å; P67-F81 HydrophobicContact CB-CE2 3.98Å; F81-C92 HydrophobicContact CD1-CB 4.2Å; F81-C92 HydrophobicContact CE1-CB 4.11Å; F81-P93 HydrophobicContact CD2-CG 3.9Å; F81-P93 VanDerWaalsContact CE1-CD 3.49Å; F81-P93 HydrophobicContact CE1-CG 4.35Å; F81-P93 HydrophobicContact CE2-CG 3.6Å; F81-P93 HydrophobicContact CG-CG 4.4Å; F81-P93 VanDerWaalsContact CZ-CD 3.46Å; F81-P93 HydrophobicContact CZ-CG 3.84Å; F81-L99 HydrophobicContact CE2-CB 4.06Å; F81-L99 HydrophobicContact CZ-CB 4.14Å; F81-L99 WeakPolarHBondContact CZ-O 3.25Å; F81-K100 VanDerWaalsContact CE2-C 3.42Å; F81-K100 WeakPolarHBondContact CE2-O 3.22Å; F81-K100 VanDerWaalsContact CZ-C 3.44Å; F81-K101 HydrophobicContact CB-CG 4.18Å; F81-K101 HydrophobicContact CD1-CB 4.12Å; F81-K101 HydrophobicContact CD1-CG 4.26Å; F81-K101 HydrophobicContact CE1-CB 4.31Å; F81-K101 HydrophobicContact CG-CB 4.23Å; F81-K101 HydrophobicContact CG-CG 4.11Å
82	V	98.3	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.3	175.3	-170.9	0	0	0	0	108.9	Q62 I63 Y64 I90 S91	Q62-V82 HydrophobicContact CB-CG1 3.7Å; Q62-V82 HydrophobicContact CG-CG1 3.96Å; I63-V82 VanDerWaalsContact O-CA 3.29Å; I63-V82 WeakPolarHBondContact O-CA 3.38Å; Y64-V82 HydrophobicContact CD1-CG2 3.59Å; Y64-V82 HydrophobicContact CE1-CG1 4.46Å; Y64-V82 HydrophobicContact CE1-CG2 3.49Å; Y64-V82 VanDerWaalsContact CE1-CG2 3.49Å; Y64-V82 HydrophobicContact CE2-CG1 4.33Å; Y64-V82 HydrophobicContact CG-CG2 4.27Å; V82-I90 HydrophobicContact CB-CB 4.41Å; V82-I90 HydrophobicContact CG1-CB 4.18Å; V82-I90 HydrophobicContact CG1-CD1 4.35Å; V82-I90 HydrophobicContact CG1-CG2 4.48Å; V82-I90 PolarHBondContact O-N 3.36Å; V82-S91 WeakPolarHBondContact CB-OG 3.45Å; V82-S91 WeakPolarHBondContact CG2-OG 3.36Å; V82-S91 PolarHBondContact N-O 3.39Å; V82-S91 PolarHBondContact O-N 3.3Å; V82-S91 VanDerWaalsContact O-N 3.13Å
83	C	97.4	Very high	96.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	170.7	173.6	64.9	0	0	0	0	111.7	I63 R88 K101	I63-C83 PolarHBondContact N-O 3Å; I63-C83 PolarHBondContact O-N 3.29Å; C83-R88 CarbonylContact C-O 3.53Å; C83-R88 WeakPolarHBondContact CA-O 3.43Å; C83-R88 WeakPolarHBondContact CB-O 3.36Å; C83-K101 VanDerWaalsContact CB-NZ 3.29Å; C83-K101 PolarHBondContact SG-NZ 3.14Å
84	D	96.1	Very high	96.3	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.102	28%	0.284	C	S	.	.			trans	-89.6	-175.9	171.1	64.9	17.9	0	0	0	112.6	E86 E87 R88 I90	D84-E86 VanDerWaalsContact CG-OE2 3.31Å; D84-E86 PolarHBondContact O-N 2.94Å; D84-E86 VanDerWaalsContact OD1-C 3.31Å; D84-E86 WeakPolarHBondContact OD1-CA 3.42Å; D84-E86 PolarHBondContact OD1-N 3.44Å; D84-E87 PolarHBondContact O-N 2.91Å; D84-E87 VanDerWaalsContact O-N 3.16Å; D84-E87 PolarHBondContact OD1-N 2.89Å; D84-E87 VanDerWaalsContact OD1-N 3.13Å; D84-R88 PolarHBondContact N-O 2.98Å; D84-R88 WeakPolarHBondContact OD1-CB 3.28Å; D84-R88 PolarHBondContact OD1-N 3.13Å; D84-R88 IonicContact OD1-NE 3.72Å; D84-R88 WeakPolarHBondContact OD2-CB 3.48Å; D84-R88 IonicContact OD2-CZ 2.89Å; D84-R88 IonicContact OD2-NE 2.58Å; D84-R88 PolarHBondContact OD2-NE 3.28Å; D84-R88 IonicContact OD2-NH2 3.24Å; D84-R88 PolarHBondContact OD2-NH2 3.17Å; D84-I90 HydrophobicContact CB-CD1 4.09Å
85	A	92.1	Very high	96.2	Very high	37 Å²	37	53.3 Å²	53.3	31%	0.306	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.3	178.1	0	0	0	0	0	113.5	E87 M109	A85-E87 VanDerWaalsContact C-N 3.27Å; A85-M109 WeakPolarHBondContact O-CE 3.35Å
86	E	91.9	Very high	96	Very high	124 Å²	124	62.7 Å²	62.7	58%	0.579	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	12.2	174.7	-60.9	77.4	-149	0	0	112.7	D84 R88	D84-E86 VanDerWaalsContact CG-OE2 3.31Å; D84-E86 PolarHBondContact O-N 2.94Å; D84-E86 VanDerWaalsContact OD1-C 3.31Å; D84-E86 WeakPolarHBondContact OD1-CA 3.42Å; D84-E86 PolarHBondContact OD1-N 3.44Å; E86-R88 HydrophobicContact CB-CG 4.34Å; E86-R88 PolarHBondContact O-N 3.18Å; E86-R88 IonicContact OE2-CZ 3.98Å; E86-R88 IonicContact OE2-NE 3.23Å; E86-R88 IonicContact OE2-NH2 3.4Å; E86-R88 PolarHBondContact OE2-NH2 2.88Å
87	E	92.6	Very high	95.9	Very high	74 Å²	74	60.6 Å²	60.6	35%	0.346	32%	0.317	S	S	.	.			trans	65.4	13.9	-178.7	-52.6	-172.8	-144.7	0	0	114.4	D84 A85 M109 K181	D84-E87 PolarHBondContact O-N 2.91Å; D84-E87 VanDerWaalsContact O-N 3.16Å; D84-E87 PolarHBondContact OD1-N 2.89Å; D84-E87 VanDerWaalsContact OD1-N 3.13Å; A85-E87 VanDerWaalsContact C-N 3.27Å; E87-M109 HydrophobicContact CG-CE 3.84Å; E87-M109 HydrophobicContact CG-CG 3.75Å; E87-M109 HydrophobicContact CG-SD 4.23Å; E87-K181 IonicContact OE1-NZ 2.72Å; E87-K181 PolarHBondContact OE1-NZ 2.96Å
88	R	94.9	Very high	95.8	Very high	155 Å²	155	66.3 Å²	66.3	59%	0.585	34%	0.339	S	S	*	.			trans	-77.8	130.3	176	-58	177	-69	-168.1	-7.7	110.1	C83 D84 E86 I90	C83-R88 CarbonylContact C-O 3.53Å; C83-R88 WeakPolarHBondContact CA-O 3.43Å; C83-R88 WeakPolarHBondContact CB-O 3.36Å; D84-R88 PolarHBondContact N-O 2.98Å; D84-R88 WeakPolarHBondContact OD1-CB 3.28Å; D84-R88 PolarHBondContact OD1-N 3.13Å; D84-R88 IonicContact OD1-NE 3.72Å; D84-R88 WeakPolarHBondContact OD2-CB 3.48Å; D84-R88 IonicContact OD2-CZ 2.89Å; D84-R88 IonicContact OD2-NE 2.58Å; D84-R88 PolarHBondContact OD2-NE 3.28Å; D84-R88 IonicContact OD2-NH2 3.24Å; D84-R88 PolarHBondContact OD2-NH2 3.17Å; E86-R88 HydrophobicContact CB-CG 4.34Å; E86-R88 PolarHBondContact O-N 3.18Å; E86-R88 IonicContact OE2-CZ 3.98Å; E86-R88 IonicContact OE2-NE 3.23Å; E86-R88 IonicContact OE2-NH2 3.4Å; E86-R88 PolarHBondContact OE2-NH2 2.88Å; R88-I90 PolarHBondContact O-N 3.41Å
89	D	95.9	Very high	95.7	Very high	96 Å²	96	64.5 Å²	64.5	51%	0.513	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.8	-178.5	-67.3	-26.4	0	0	0	111.4	K101	D89-K101 IonicContact OD1-NZ 3.71Å; D89-K101 PolarHBondContact OD1-NZ 2.96Å
90	I	97	Very high	95.6	Very high	83 Å²	83	71.3 Å²	71.3	43%	0.426	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-43.3	177.3	-62.9	173.8	0	0	0	110.1	Q62 V82 D84 R88	Q62-I90 HydrophobicContact CG-CD1 3.9Å; V82-I90 HydrophobicContact CB-CB 4.41Å; V82-I90 HydrophobicContact CG1-CB 4.18Å; V82-I90 HydrophobicContact CG1-CD1 4.35Å; V82-I90 HydrophobicContact CG1-CG2 4.48Å; V82-I90 PolarHBondContact O-N 3.36Å; D84-I90 HydrophobicContact CB-CD1 4.09Å; R88-I90 PolarHBondContact O-N 3.41Å
91	S	96.4	Very high	95.2	Very high	37 Å²	37	73.5 Å²	73.5	26%	0.259	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	146	175.1	73.3	0	0	0	0	111	R32 V82	R32-S91 PolarHBondContact NH2-OG 3.13Å; V82-S91 WeakPolarHBondContact CB-OG 3.45Å; V82-S91 WeakPolarHBondContact CG2-OG 3.36Å; V82-S91 PolarHBondContact N-O 3.39Å; V82-S91 PolarHBondContact O-N 3.3Å; V82-S91 VanDerWaalsContact O-N 3.13Å
92	C	95.9	Very high	94.9	Very high	70 Å²	70	73.7 Å²	73.7	47%	0.473	37%	0.373	S	S	.	.			trans	-125.3	160.8	-179.5	-62.3	0	0	0	0	110.5	F81	F81-C92 HydrophobicContact CD1-CB 4.2Å; F81-C92 HydrophobicContact CE1-CB 4.11Å
93	P	96.3	Very high	94.5	Very high	17 Å²	17	79.3 Å²	79.3	11%	0.11	40%	0.399	C	S	.	.			trans	-60.2	164.3	172.5	-24	36.8	0	0	0	112.5	D79 F81 A95 L99	D79-P93 VanDerWaalsContact C-CG 3.48Å; D79-P93 WeakPolarHBondContact O-CG 3.44Å; F81-P93 HydrophobicContact CD2-CG 3.9Å; F81-P93 VanDerWaalsContact CE1-CD 3.49Å; F81-P93 HydrophobicContact CE1-CG 4.35Å; F81-P93 HydrophobicContact CE2-CG 3.6Å; F81-P93 HydrophobicContact CG-CG 4.4Å; F81-P93 VanDerWaalsContact CZ-CD 3.46Å; F81-P93 HydrophobicContact CZ-CG 3.84Å; P93-A95 PolarHBondContact O-N 3.48Å; P93-L99 HydrophobicContact CB-CB 4.46Å; P93-L99 HydrophobicContact CB-CD1 3.87Å; P93-L99 HydrophobicContact CG-CB 4.36Å; P93-L99 HydrophobicContact CG-CD1 4.05Å
94	P	95.6	Very high	94.2	Very high	48 Å²	48	80 Å²	80	31%	0.312	40%	0.404	S	S	.	.			trans	-54.5	129	175.2	-24.7	33.9	0	0	0	112.1	W96 K97	P94-W96 HydrophobicContact CB-CG 4.37Å; P94-W96 PolarHBondContact O-N 2.83Å; P94-W96 VanDerWaalsContact O-N 3.09Å; P94-K97 PolarHBondContact O-N 3.25Å
95	A	94.6	Very high	94.1	Very high	95 Å²	95	79.5 Å²	79.5	79%	0.785	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32.3	-173.2	0	0	0	0	0	113.8	P93 K97 E98	P93-A95 PolarHBondContact O-N 3.48Å; A95-K97 PolarHBondContact O-N 2.91Å; A95-E98 PolarHBondContact O-N 2.9Å
96	W	95.6	Very high	94.2	Very high	205 Å²	205	79 Å²	79	78%	0.777	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-65.3	-17.4	178.7	66.6	-97.7	0	0	0	114.2	P94 E98	P94-W96 HydrophobicContact CB-CG 4.37Å; P94-W96 PolarHBondContact O-N 2.83Å; P94-W96 VanDerWaalsContact O-N 3.09Å; W96-E98 VanDerWaalsContact C-N 3.32Å
97	K	95.3	Very high	94.5	Very high	50 Å²	50	73.3 Å²	73.3	22%	0.217	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-80.5	-12.5	173.9	-66	-168.1	179.5	-171.6	0	112.8	E78 D79 P94 A95 L99	E78-K97 IonicContact OE1-NZ 3.9Å; E78-K97 PolarHBondContact OE1-NZ 3.49Å; D79-K97 WeakPolarHBondContact OD1-CD 3.26Å; D79-K97 IonicContact OD1-NZ 2.58Å; D79-K97 PolarHBondContact OD1-NZ 3.39Å; P94-K97 PolarHBondContact O-N 3.25Å; A95-K97 PolarHBondContact O-N 2.91Å; K97-L99 HydrophobicContact CB-CD1 4.13Å; K97-L99 HydrophobicContact CB-CG 3.84Å; K97-L99 HydrophobicContact CD-CD1 4.14Å; K97-L99 PolarHBondContact O-N 2.91Å
98	E	94.9	Very high	94.7	Very high	170 Å²	170	70 Å²	70	79%	0.794	35%	0.353	S	S	*	.			trans	51.5	30.9	179.4	-57.4	-175	163.4	0	0	114.3	A95 W96	A95-E98 PolarHBondContact O-N 2.9Å; W96-E98 VanDerWaalsContact C-N 3.32Å
99	L	96.1	Very high	94.8	Very high	47 Å²	47	62.7 Å²	62.7	25%	0.246	33%	0.326	C	S	.	.			trans	-71.8	153.2	-179.7	-64.1	177.1	0	0	0	111.4	P67 V70 D79 F81 P93 K97	P67-L99 HydrophobicContact CB-CB 4.18Å; P67-L99 HydrophobicContact CB-CD1 4.15Å; P67-L99 HydrophobicContact CB-CD2 4.27Å; P67-L99 HydrophobicContact CB-CG 4.43Å; P67-L99 HydrophobicContact CG-CD1 4.29Å; V70-L99 HydrophobicContact CG1-CD2 3.76Å; D79-L99 HydrophobicContact CB-CD1 3.86Å; F81-L99 HydrophobicContact CE2-CB 4.06Å; F81-L99 HydrophobicContact CZ-CB 4.14Å; F81-L99 WeakPolarHBondContact CZ-O 3.25Å; P93-L99 HydrophobicContact CB-CB 4.46Å; P93-L99 HydrophobicContact CB-CD1 3.87Å; P93-L99 HydrophobicContact CG-CB 4.36Å; P93-L99 HydrophobicContact CG-CD1 4.05Å; K97-L99 HydrophobicContact CB-CD1 4.13Å; K97-L99 HydrophobicContact CB-CG 3.84Å; K97-L99 HydrophobicContact CD-CD1 4.14Å; K97-L99 PolarHBondContact O-N 2.91Å
100	K	93.7	Very high	94.9	Very high	158 Å²	158	58.6 Å²	58.6	69%	0.687	30%	0.304	S	S	*	.			trans	-119.9	147.5	176.3	-62.4	-179.2	-177.5	178.4	0	110.6	P67 S68 F81	P67-K100 CarbonylContact C-O 3.37Å; P67-K100 WeakPolarHBondContact CA-O 3.12Å; S68-K100 PolarHBondContact N-O 2.85Å; F81-K100 VanDerWaalsContact CE2-C 3.42Å; F81-K100 WeakPolarHBondContact CE2-O 3.22Å; F81-K100 VanDerWaalsContact CZ-C 3.44Å
101	K	91	Very high	95	Very high	46 Å²	46	54.7 Å²	54.7	20%	0.2	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-61.2	146.4	173.9	-158.6	176.7	-171.3	171.3	0	110.1	I65 F81 C83 D89 T105	I65-K101 HydrophobicContact CG2-CG 4.38Å; F81-K101 HydrophobicContact CB-CG 4.18Å; F81-K101 HydrophobicContact CD1-CB 4.12Å; F81-K101 HydrophobicContact CD1-CG 4.26Å; F81-K101 HydrophobicContact CE1-CB 4.31Å; F81-K101 HydrophobicContact CG-CB 4.23Å; F81-K101 HydrophobicContact CG-CG 4.11Å; C83-K101 VanDerWaalsContact CB-NZ 3.29Å; C83-K101 PolarHBondContact SG-NZ 3.14Å; D89-K101 IonicContact OD1-NZ 3.71Å; D89-K101 PolarHBondContact OD1-NZ 2.96Å; K101-T105 HydrophobicContact CD-CG2 4.31Å
102	S	90.7	Very high	95	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.112	27%	0.273	C	S	.	.			trans	-58.2	138	-179.9	-178.5	0	0	0	0	112	A66 C104 T105	A66-S102 WeakPolarHBondContact O-CB 3.43Å; S102-C104 PolarHBondContact O-N 3.45Å; S102-C104 WeakPolarHBondContact OG-CB 3.48Å; S102-C104 PolarHBondContact OG-N 2.98Å; S102-C104 VanDerWaalsContact OG-N 3.12Å; S102-T105 VanDerWaalsContact O-CB 3.29Å; S102-T105 WeakPolarHBondContact O-CB 3.03Å; S102-T105 PolarHBondContact O-N 2.63Å; S102-T105 VanDerWaalsContact O-N 3.09Å; S102-T105 PolarHBondContact O-OG1 2.92Å
103	Q	90.8	Very high	95.1	Very high	118 Å²	118	54.2 Å²	54.2	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	171.3	-68.9	177.6	-68.1	0	0	112.4	T105 P106 E177	Q103-T105 PolarHBondContact O-N 2.88Å; Q103-P106 VanDerWaalsContact O-CD 3.3Å; Q103-P106 WeakPolarHBondContact O-CD 3.46Å; Q103-E177 VanDerWaalsContact CB-OE1 3.27Å; Q103-E177 WeakPolarHBondContact CB-OE1 3.38Å; Q103-E177 WeakPolarHBondContact CG-OE1 3.43Å; Q103-E177 PolarHBondContact NE2-OE1 2.91Å
104	C	91.6	Very high	95.1	Very high	16 Å²	16	55.9 Å²	55.9	11%	0.108	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.8	173.6	-53.4	0	0	0	0	113.1	S102 L107 F108 H122 Y205	S102-C104 PolarHBondContact O-N 3.45Å; S102-C104 WeakPolarHBondContact OG-CB 3.48Å; S102-C104 PolarHBondContact OG-N 2.98Å; S102-C104 VanDerWaalsContact OG-N 3.12Å; C104-L107 WeakPolarHBondContact O-CB 3.33Å; C104-L107 PolarHBondContact O-N 2.78Å; C104-L107 VanDerWaalsContact O-N 3.07Å; C104-F108 HydrophobicContact CB-CD2 4.11Å; C104-F108 HydrophobicContact CB-CE1 4.16Å; C104-F108 HydrophobicContact CB-CE2 3.65Å; C104-F108 HydrophobicContact CB-CZ 3.68Å; C104-F108 WeakPolarHBondContact O-CG 3.28Å; C104-F108 PolarHBondContact O-N 3.49Å; C104-H122 PolarHBondContact SG-CD2 2.62Å; C104-Y205 HydrophobicContact CB-CE1 4.27Å; C104-Y205 PolarHBondContact SG-OH 3.08Å
105	T	94	Very high	95.2	Very high	7 Å²	7	57 Å²	57	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-49.8	-53.5	-175.3	-61.3	0	0	0	0	112	I65 K101 S102 Q103 L107 F108 M109	I65-T105 HydrophobicContact CD1-CG2 3.73Å; K101-T105 HydrophobicContact CD-CG2 4.31Å; S102-T105 VanDerWaalsContact O-CB 3.29Å; S102-T105 WeakPolarHBondContact O-CB 3.03Å; S102-T105 PolarHBondContact O-N 2.63Å; S102-T105 VanDerWaalsContact O-N 3.09Å; S102-T105 PolarHBondContact O-OG1 2.92Å; Q103-T105 PolarHBondContact O-N 2.88Å; T105-L107 PolarHBondContact O-N 3.37Å; T105-L107 VanDerWaalsContact O-N 3.14Å; T105-F108 PolarHBondContact O-N 3.07Å; T105-F108 VanDerWaalsContact O-N 3.12Å; T105-M109 HydrophobicContact CG2-CG 4.27Å; T105-M109 VanDerWaalsContact O-CG 3.28Å; T105-M109 WeakPolarHBondContact O-CG 3.16Å; T105-M109 PolarHBondContact O-N 2.87Å
106	P	94.3	Very high	95.2	Very high	28 Å²	28	54.5 Å²	54.5	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-27.4	-175.3	-18.8	33	0	0	0	113.1	Q103 N110 K181	Q103-P106 VanDerWaalsContact O-CD 3.3Å; Q103-P106 WeakPolarHBondContact O-CD 3.46Å; P106-N110 PolarHBondContact O-N 3.25Å; P106-K181 HydrophobicContact CB-CB 4.46Å; P106-K181 HydrophobicContact CB-CD 3.73Å; P106-K181 HydrophobicContact CB-CG 4.23Å; P106-K181 WeakPolarHBondContact O-CE 3.39Å
107	L	96.7	Very high	95.3	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-77.2	-40	177.2	-71.6	84.8	0	0	0	111.8	C104 T105 M109 N110 L180 M184 Y205	C104-L107 WeakPolarHBondContact O-CB 3.33Å; C104-L107 PolarHBondContact O-N 2.78Å; C104-L107 VanDerWaalsContact O-N 3.07Å; T105-L107 PolarHBondContact O-N 3.37Å; T105-L107 VanDerWaalsContact O-N 3.14Å; L107-M109 PolarHBondContact O-N 2.92Å; L107-N110 WeakPolarHBondContact O-CB 3.32Å; L107-N110 PolarHBondContact O-N 3.22Å; L107-L180 HydrophobicContact CD1-CD2 4.47Å; L107-L180 HydrophobicContact CD2-CD2 3.64Å; L107-L180 HydrophobicContact CD2-CG 3.85Å; L107-M184 HydrophobicContact CB-SD 3.78Å; L107-M184 HydrophobicContact CD2-SD 3.98Å; L107-M184 HydrophobicContact CG-SD 4.07Å; L107-Y205 HydrophobicContact CB-CD1 4.16Å; L107-Y205 HydrophobicContact CB-CE1 3.58Å; L107-Y205 HydrophobicContact CD2-CD2 4.14Å; L107-Y205 HydrophobicContact CD2-CE1 4.01Å; L107-Y205 HydrophobicContact CD2-CE2 3.44Å; L107-Y205 VanDerWaalsContact CD2-CE2 3.44Å; L107-Y205 HydrophobicContact CG-CE1 4.42Å
108	F	97.5	Very high	95.5	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-39.7	170.3	-63.8	-28.7	0	0	0	111.3	C104 T105 N110 A111 Y112 V120 H122 Y205	C104-F108 HydrophobicContact CB-CD2 4.11Å; C104-F108 HydrophobicContact CB-CE1 4.16Å; C104-F108 HydrophobicContact CB-CE2 3.65Å; C104-F108 HydrophobicContact CB-CZ 3.68Å; C104-F108 WeakPolarHBondContact O-CG 3.28Å; C104-F108 PolarHBondContact O-N 3.49Å; T105-F108 PolarHBondContact O-N 3.07Å; T105-F108 VanDerWaalsContact O-N 3.12Å; F108-N110 VanDerWaalsContact C-N 3.29Å; F108-N110 PolarHBondContact O-N 3.48Å; F108-A111 PolarHBondContact O-N 2.78Å; F108-A111 VanDerWaalsContact O-N 3.1Å; F108-Y112 HydrophobicContact CB-CD2 4.35Å; F108-Y112 HydrophobicContact CB-CE2 3.98Å; F108-Y112 WeakPolarHBondContact O-CD2 3.39Å; F108-Y112 PolarHBondContact O-N 2.99Å; F108-Y112 VanDerWaalsContact O-N 3.1Å; F108-V120 HydrophobicContact CB-CB 4.41Å; F108-V120 HydrophobicContact CB-CG2 4.47Å; F108-V120 HydrophobicContact CD1-CB 3.65Å; F108-V120 HydrophobicContact CD1-CG1 3.43Å; F108-V120 VanDerWaalsContact CD1-CG1 3.43Å; F108-V120 HydrophobicContact CE1-CB 4.17Å; F108-V120 HydrophobicContact CE1-CG1 3.93Å; F108-V120 HydrophobicContact CG-CB 4.25Å; F108-V120 HydrophobicContact CG-CG1 4.4Å; F108-H122 HydrophobicContact CE1-CB 3.82Å; F108-H122 HydrophobicContact CZ-CB 4.08Å; F108-Y205 HydrophobicContact CD1-CD1 4.03Å; F108-Y205 AromaticContact CD1-CE1 3.91Å; F108-Y205 HydrophobicContact CD1-CE1 3.91Å; F108-Y205 AromaticContact CE1-CD1 3.95Å; F108-Y205 HydrophobicContact CE1-CD1 3.95Å; F108-Y205 AromaticContact CE1-CE1 3.72Å; F108-Y205 HydrophobicContact CE1-CE1 3.72Å
109	M	97.2	Very high	95.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-31.5	178.7	-64.4	-51.8	-63.8	0	0	113.6	I63 A85 E87 T105 L107 A111 Y112 T113	I63-M109 HydrophobicContact CD1-CE 3.71Å; I63-M109 HydrophobicContact CD1-SD 3.7Å; A85-M109 WeakPolarHBondContact O-CE 3.35Å; E87-M109 HydrophobicContact CG-CE 3.84Å; E87-M109 HydrophobicContact CG-CG 3.75Å; E87-M109 HydrophobicContact CG-SD 4.23Å; T105-M109 HydrophobicContact CG2-CG 4.27Å; T105-M109 VanDerWaalsContact O-CG 3.28Å; T105-M109 WeakPolarHBondContact O-CG 3.16Å; T105-M109 PolarHBondContact O-N 2.87Å; L107-M109 PolarHBondContact O-N 2.92Å; M109-A111 VanDerWaalsContact C-N 3.35Å; M109-A111 PolarHBondContact O-N 2.73Å; M109-Y112 PolarHBondContact O-N 3.29Å; M109-Y112 HydrophobicContact SD-CD2 3.93Å; M109-T113 HydrophobicContact CE-CG2 4.42Å; M109-T113 WeakPolarHBondContact O-CB 3.26Å; M109-T113 WeakPolarHBondContact O-CG2 3.4Å; M109-T113 PolarHBondContact O-N 2.55Å; M109-T113 PolarHBondContact O-OG1 2.99Å
110	N	97.8	Very high	95.8	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-46.5	172.3	-73	-9.4	0	0	0	111	P106 L107 F108 Y112 T113 M114 K181 M188	P106-N110 PolarHBondContact O-N 3.25Å; L107-N110 WeakPolarHBondContact O-CB 3.32Å; L107-N110 PolarHBondContact O-N 3.22Å; F108-N110 VanDerWaalsContact C-N 3.29Å; F108-N110 PolarHBondContact O-N 3.48Å; N110-Y112 PolarHBondContact O-N 2.86Å; N110-T113 PolarHBondContact O-N 2.96Å; N110-M114 HydrophobicContact CB-SD 4.04Å; N110-M114 WeakPolarHBondContact O-CA 3.3Å; N110-M114 WeakPolarHBondContact O-CB 3.36Å; N110-M114 VanDerWaalsContact O-CG 3.23Å; N110-M114 WeakPolarHBondContact O-CG 3.5Å; N110-M114 PolarHBondContact O-N 3.28Å; N110-K181 PolarHBondContact ND2-O 3.04Å; N110-K181 WeakPolarHBondContact OD1-CE 3.42Å; N110-M188 HydrophobicContact CB-CE 4.41Å; N110-M188 HydrophobicContact CB-SD 3.85Å
111	A	98.1	Very high	96	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-39.4	178.6	0	0	0	0	0	112.4	F108 M109 R115 G116 A117 V120 M188 W207	F108-A111 PolarHBondContact O-N 2.78Å; F108-A111 VanDerWaalsContact O-N 3.1Å; M109-A111 VanDerWaalsContact C-N 3.35Å; M109-A111 PolarHBondContact O-N 2.73Å; A111-R115 CarbonylContact O-C 3.59Å; A111-R115 WeakPolarHBondContact O-CA 3.49Å; A111-R115 WeakPolarHBondContact O-CB 3.4Å; A111-R115 PolarHBondContact O-N 3.16Å; A111-R115 VanDerWaalsContact O-N 3.13Å; A111-G116 PolarHBondContact O-N 3.1Å; A111-A117 HydrophobicContact CB-CB 4.07Å; A111-A117 WeakPolarHBondContact O-CB 3.14Å; A111-A117 PolarHBondContact O-N 3.49Å; A111-V120 HydrophobicContact CB-CG1 4.16Å; A111-V120 HydrophobicContact CB-CG2 3.61Å; A111-M188 HydrophobicContact CB-CE 4.48Å; A111-W207 HydrophobicContact CB-CB 3.71Å; A111-W207 HydrophobicContact CB-CD2 3.93Å; A111-W207 HydrophobicContact CB-CE3 4.11Å; A111-W207 HydrophobicContact CB-CG 3.77Å
112	Y	98	Very high	96.4	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-46.9	176.2	-69.1	-54.8	0	0	0	112.8	S56 L57 R58 I63 F108 M109 N110 G116 A117 V120	S56-Y112 VanDerWaalsContact CB-OH 3.3Å; S56-Y112 WeakPolarHBondContact CB-OH 3.45Å; S56-Y112 PolarHBondContact O-OH 2.94Å; S56-Y112 PolarHBondContact OG-OH 3.09Å; L57-Y112 WeakPolarHBondContact CA-OH 3.45Å; L57-Y112 PolarHBondContact N-OH 3.24Å; R58-Y112 HydrophobicContact CB-CD1 4.29Å; R58-Y112 HydrophobicContact CB-CE1 3.81Å; I63-Y112 HydrophobicContact CD1-CD2 3.86Å; I63-Y112 HydrophobicContact CD1-CE2 4.29Å; I63-Y112 HydrophobicContact CD1-CG 4.09Å; I63-Y112 HydrophobicContact CG1-CD2 4.49Å; I63-Y112 HydrophobicContact CG1-CE2 4.48Å; I63-Y112 HydrophobicContact CG2-CD2 4.1Å; I63-Y112 HydrophobicContact CG2-CE2 3.48Å; I63-Y112 VanDerWaalsContact CG2-CE2 3.48Å; F108-Y112 HydrophobicContact CB-CD2 4.35Å; F108-Y112 HydrophobicContact CB-CE2 3.98Å; F108-Y112 WeakPolarHBondContact O-CD2 3.39Å; F108-Y112 PolarHBondContact O-N 2.99Å; F108-Y112 VanDerWaalsContact O-N 3.1Å; M109-Y112 PolarHBondContact O-N 3.29Å; M109-Y112 HydrophobicContact SD-CD2 3.93Å; N110-Y112 PolarHBondContact O-N 2.86Å; Y112-G116 WeakPolarHBondContact O-CA 3.23Å; Y112-G116 PolarHBondContact O-N 2.84Å; Y112-A117 HydrophobicContact CD1-CB 4.1Å; Y112-A117 WeakPolarHBondContact CD1-O 3.49Å; Y112-A117 HydrophobicContact CE1-CB 4.4Å; Y112-V120 HydrophobicContact CD1-CG2 4.48Å; Y112-V120 HydrophobicContact CD2-CG2 4.48Å; Y112-V120 HydrophobicContact CE1-CG2 4.03Å; Y112-V120 HydrophobicContact CE2-CG2 4.05Å
113	T	96.8	Very high	96.8	Very high	90 Å²	90	24.9 Å²	24.9	55%	0.552	14%	0.137	S	C	*	.	H	α-helix	trans	-83.6	-36.6	-172.6	57	0	0	0	0	113	M109 N110	M109-T113 HydrophobicContact CE-CG2 4.42Å; M109-T113 WeakPolarHBondContact O-CB 3.26Å; M109-T113 WeakPolarHBondContact O-CG2 3.4Å; M109-T113 PolarHBondContact O-N 2.55Å; M109-T113 PolarHBondContact O-OG1 2.99Å; N110-T113 PolarHBondContact O-N 2.96Å
114	M	97.3	Very high	97.1	Very high	53 Å²	53	22.1 Å²	22.1	26%	0.261	12%	0.124	S	C	.	.	H	α-helix	trans	-93.1	-22.7	-175.7	-52.9	174.8	72.8	0	0	113.4	N110 A185 M188 E189	N110-M114 HydrophobicContact CB-SD 4.04Å; N110-M114 WeakPolarHBondContact O-CA 3.3Å; N110-M114 WeakPolarHBondContact O-CB 3.36Å; N110-M114 VanDerWaalsContact O-CG 3.23Å; N110-M114 WeakPolarHBondContact O-CG 3.5Å; N110-M114 PolarHBondContact O-N 3.28Å; M114-A185 HydrophobicContact CE-CB 4.06Å; M114-A185 HydrophobicContact SD-CB 3.81Å; M114-M188 HydrophobicContact CB-CE 4.02Å; M114-M188 HydrophobicContact CE-CB 4.35Å; M114-M188 HydrophobicContact SD-CE 4.22Å; M114-M188 HydrophobicContact SD-SD 4.18Å; M114-E189 HydrophobicContact CE-CG 3.73Å
115	R	96.7	Very high	97.5	Very high	71 Å²	71	21.7 Å²	21.7	27%	0.268	12%	0.12	S	C	.	.	H	α-helix	trans	-127	2.5	-173.5	-63.1	-68.9	176.8	-82.6	3.1	114	A111 A117 M188 W207	A111-R115 CarbonylContact O-C 3.59Å; A111-R115 WeakPolarHBondContact O-CA 3.49Å; A111-R115 WeakPolarHBondContact O-CB 3.4Å; A111-R115 PolarHBondContact O-N 3.16Å; A111-R115 VanDerWaalsContact O-N 3.13Å; R115-A117 PolarHBondContact O-N 3.35Å; R115-M188 HydrophobicContact CB-CE 4.42Å; R115-M188 HydrophobicContact CG-CE 3.45Å; R115-M188 VanDerWaalsContact CG-CE 3.45Å; R115-M188 PolarHBondContact NH2-O 3.47Å; R115-W207 HydrophobicContact CG-CZ2 4.29Å
116	G	96.1	Very high	97.7	Very high	43 Å²	43	29.9 Å²	29.9	44%	0.443	16%	0.155	S	C	.	.			trans	60.5	26.9	-179.8	0	0	0	0	0	113.3	A111 Y112 Q118	A111-G116 PolarHBondContact O-N 3.1Å; Y112-G116 WeakPolarHBondContact O-CA 3.23Å; Y112-G116 PolarHBondContact O-N 2.84Å; G116-Q118 PolarHBondContact O-NE2 3.33Å; G116-Q118 VanDerWaalsContact O-NE2 3.12Å
117	A	97.8	Very high	97.9	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.151	C	C	.	.			trans	-56.1	151.2	-178.2	0	0	0	0	0	111.5	A111 Y112 R115 V120 W207	A111-A117 HydrophobicContact CB-CB 4.07Å; A111-A117 WeakPolarHBondContact O-CB 3.14Å; A111-A117 PolarHBondContact O-N 3.49Å; Y112-A117 HydrophobicContact CD1-CB 4.1Å; Y112-A117 WeakPolarHBondContact CD1-O 3.49Å; Y112-A117 HydrophobicContact CE1-CB 4.4Å; R115-A117 PolarHBondContact O-N 3.35Å; A117-V120 HydrophobicContact CB-CG2 4.17Å; A117-W207 HydrophobicContact CB-CB 3.89Å; A117-W207 HydrophobicContact CB-CG 4.43Å
118	Q	98.1	Very high	98	Very high	67 Å²	67	28.9 Å²	28.9	31%	0.313	15%	0.15	S	C	.	.	S	Bend	trans	-110.4	-15.1	170.2	-57.6	-56	-52.3	0	0	111.9	R58 G116 G208 E209	R58-Q118 PolarHBondContact N-O 3.1Å; G116-Q118 PolarHBondContact O-NE2 3.33Å; G116-Q118 VanDerWaalsContact O-NE2 3.12Å; Q118-G208 PolarHBondContact N-O 3.29Å; Q118-E209 WeakPolarHBondContact CB-O 3.32Å; Q118-E209 WeakPolarHBondContact CG-O 3.21Å
119	A	98.7	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.4	170	0	0	0	0	0	110.7	S56 L57 W207 G208 W211 A214	S56-A119 CarbonylContact O-C 3.58Å; S56-A119 VanDerWaalsContact O-CA 3.28Å; S56-A119 WeakPolarHBondContact O-CA 3.14Å; L57-A119 HydrophobicContact CD1-CB 4.16Å; L57-A119 HydrophobicContact CG-CB 4.25Å; A119-W207 WeakPolarHBondContact O-CA 3.43Å; A119-G208 PolarHBondContact N-O 3.28Å; A119-G208 PolarHBondContact O-N 2.5Å; A119-G208 VanDerWaalsContact O-N 3.07Å; A119-W211 VanDerWaalsContact CB-CA 3.45Å; A119-W211 HydrophobicContact CB-CB 3.85Å; A119-A214 HydrophobicContact CB-CB 3.96Å
120	V	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.4	177.2	-164.4	0	0	0	0	109	I55 S56 F108 A111 Y112 A117 Y205 V206 W207	I55-V120 CarbonylContact C-O 3.51Å; I55-V120 WeakPolarHBondContact CA-O 3.36Å; I55-V120 WeakPolarHBondContact CG1-O 3.39Å; S56-V120 PolarHBondContact N-O 2.7Å; S56-V120 PolarHBondContact O-N 3.4Å; F108-V120 HydrophobicContact CB-CB 4.41Å; F108-V120 HydrophobicContact CB-CG2 4.47Å; F108-V120 HydrophobicContact CD1-CB 3.65Å; F108-V120 HydrophobicContact CD1-CG1 3.43Å; F108-V120 VanDerWaalsContact CD1-CG1 3.43Å; F108-V120 HydrophobicContact CE1-CB 4.17Å; F108-V120 HydrophobicContact CE1-CG1 3.93Å; F108-V120 HydrophobicContact CG-CB 4.25Å; F108-V120 HydrophobicContact CG-CG1 4.4Å; A111-V120 HydrophobicContact CB-CG1 4.16Å; A111-V120 HydrophobicContact CB-CG2 3.61Å; Y112-V120 HydrophobicContact CD1-CG2 4.48Å; Y112-V120 HydrophobicContact CD2-CG2 4.48Å; Y112-V120 HydrophobicContact CE1-CG2 4.03Å; Y112-V120 HydrophobicContact CE2-CG2 4.05Å; A117-V120 HydrophobicContact CB-CG2 4.17Å; V120-Y205 HydrophobicContact CG1-CD1 4.49Å; V120-V206 CarbonylContact C-O 3.2Å; V120-V206 WeakPolarHBondContact CA-O 3.4Å; V120-W207 HydrophobicContact CB-CB 4.49Å; V120-W207 HydrophobicContact CG1-CB 4.19Å; V120-W207 HydrophobicContact CG2-CB 4.12Å
121	I	98.9	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.1	178.2	-61.9	170.2	0	0	0	108.1	F42 I55 T123 Y205 V206 A214 K215 C218	F42-I121 HydrophobicContact CE2-CD1 4.18Å; F42-I121 HydrophobicContact CE2-CG1 4.3Å; F42-I121 HydrophobicContact CE2-CG2 4.29Å; F42-I121 HydrophobicContact CZ-CD1 3.88Å; F42-I121 HydrophobicContact CZ-CG1 4.49Å; I55-I121 HydrophobicContact CB-CG1 4.21Å; I55-I121 HydrophobicContact CD1-CD1 4.16Å; I55-I121 HydrophobicContact CD1-CG1 3.7Å; I55-I121 HydrophobicContact CG1-CG1 3.71Å; I121-T123 HydrophobicContact CG2-CG2 3.77Å; I121-Y205 CarbonylContact O-C 3.57Å; I121-Y205 WeakPolarHBondContact O-CA 3.13Å; I121-V206 PolarHBondContact N-O 2.81Å; I121-V206 PolarHBondContact O-N 3.41Å; I121-A214 HydrophobicContact CD1-CB 4.18Å; I121-A214 HydrophobicContact CG1-CB 4.48Å; I121-K215 VanDerWaalsContact CD1-CA 3.49Å; I121-K215 HydrophobicContact CD1-CB 4.04Å; I121-C218 HydrophobicContact CD1-CB 4.07Å
122	H	98.8	Very high	98.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128	168	177.7	38.3	0	0	0	109.3	G53 G54 C104 F108 H124 H202 V204 Y205	G53-H122 CarbonylContact C-O 3.55Å; G53-H122 WeakPolarHBondContact CA-O 3.28Å; G54-H122 PolarHBondContact N-O 2.82Å; G54-H122 PolarHBondContact O-N 2.98Å; C104-H122 PolarHBondContact SG-CD2 2.62Å; F108-H122 HydrophobicContact CE1-CB 3.82Å; F108-H122 HydrophobicContact CZ-CB 4.08Å; H122-H124 AromaticContact CD2-NE2 3.9Å; H122-H124 AromaticContact CE1-CD2 3.67Å; H122-H124 AromaticContact CE1-NE2 3.88Å; H122-H124 AromaticContact NE2-CD2 3.38Å; H122-H124 PolarHBondContact NE2-CD2 3.24Å; H122-H124 AromaticContact NE2-NE2 3.15Å; H122-H124 PolarHBondContact NE2-NE2 3.05Å; H122-H124 VanDerWaalsContact NE2-NE2 3.15Å; H122-H202 AromaticContact CE1-CD2 3.94Å; H122-H202 AromaticContact CE1-NE2 3.77Å; H122-H202 AromaticContact NE2-CD2 3.94Å; H122-H202 AromaticContact NE2-NE2 3.37Å; H122-H202 PolarHBondContact NE2-NE2 3.18Å; H122-V204 WeakPolarHBondContact CA-O 3.1Å; H122-V204 PolarHBondContact ND1-O 3.13Å; H122-Y205 HydrophobicContact CB-CD1 3.89Å; H122-Y205 HydrophobicContact CB-CE1 3.62Å; H122-Y205 HydrophobicContact CB-CG 4.45Å; H122-Y205 AromaticContact CD2-CZ 3.61Å; H122-Y205 PolarHBondContact CD2-OH 3.43Å; H122-Y205 VanDerWaalsContact CD2-OH 3.27Å; H122-Y205 AromaticContact CE1-CE2 3.43Å; H122-Y205 VanDerWaalsContact CE1-CE2 3.43Å; H122-Y205 WeakPolarHBondContact CE1-CE2 3.43Å; H122-Y205 AromaticContact CE1-CZ 3.75Å; H122-Y205 AromaticContact CG-CE1 3.66Å; H122-Y205 AromaticContact CG-CE2 3.78Å; H122-Y205 AromaticContact CG-CZ 3.41Å; H122-Y205 VanDerWaalsContact CG-CZ 3.41Å; H122-Y205 AromaticContact ND1-CD2 3.65Å; H122-Y205 AromaticContact ND1-CE2 3.32Å; H122-Y205 VanDerWaalsContact ND1-CE2 3.32Å; H122-Y205 WeakPolarHBondContact ND1-CE2 3.42Å; H122-Y205 AromaticContact ND1-CZ 3.51Å; H122-Y205 AromaticContact NE2-CE2 3.9Å; H122-Y205 AromaticContact NE2-CZ 3.79Å; H122-Y205 PolarHBondContact NE2-OH 2.92Å
123	T	98.7	Very high	98.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.3	175.7	83.5	0	0	0	0	110.8	W47 I121 S125 G203 V204	W47-T123 HydrophobicContact CB-CG2 3.81Å; W47-T123 HydrophobicContact CD2-CG2 3.94Å; W47-T123 HydrophobicContact CE3-CG2 3.92Å; W47-T123 HydrophobicContact CG-CG2 3.93Å; W47-T123 CarbonylContact O-C 3.58Å; W47-T123 WeakPolarHBondContact O-CA 3.18Å; I121-T123 HydrophobicContact CG2-CG2 3.77Å; T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 WeakPolarHBondContact OG1-CB 3.49Å; T123-S125 PolarHBondContact OG1-N 3.11Å; T123-G203 WeakPolarHBondContact O-CA 3.37Å; T123-V204 PolarHBondContact N-O 3.42Å; T123-V204 PolarHBondContact O-N 3.03Å; T123-V204 WeakPolarHBondContact OG1-CG1 2.98Å
124	H	98.3	Very high	98.4	Very high	60 Å²	60	35.1 Å²	35.1	28%	0.278	18%	0.18	S	C	.	.			trans	-100.5	37.9	165.1	-68	-160.9	0	0	0	109.7	W47 G52 G53 H122 K126 H202	W47-H124 PolarHBondContact O-N 3.32Å; G52-H124 VanDerWaalsContact CA-CE1 3.46Å; G52-H124 WeakPolarHBondContact CA-CE1 3.41Å; G53-H124 PolarHBondContact N-CD2 3.06Å; G53-H124 PolarHBondContact N-NE2 3.5Å; H122-H124 AromaticContact CD2-NE2 3.9Å; H122-H124 AromaticContact CE1-CD2 3.67Å; H122-H124 AromaticContact CE1-NE2 3.88Å; H122-H124 AromaticContact NE2-CD2 3.38Å; H122-H124 PolarHBondContact NE2-CD2 3.24Å; H122-H124 AromaticContact NE2-NE2 3.15Å; H122-H124 PolarHBondContact NE2-NE2 3.05Å; H122-H124 VanDerWaalsContact NE2-NE2 3.15Å; H124-K126 PolarHBondContact O-N 3.27Å; H124-H202 AromaticContact CD2-CD2 3.9Å; H124-H202 AromaticContact CE1-CD2 3.95Å; H124-H202 AromaticContact CE1-NE2 3.83Å; H124-H202 AromaticContact NE2-CD2 3.6Å; H124-H202 AromaticContact NE2-NE2 3.36Å; H124-H202 PolarHBondContact NE2-NE2 3.12Å
125	S	98.7	Very high	98.4	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.042	17%	0.171	C	C	.	.			trans	-56	135.9	-178.9	169.8	0	0	0	0	111.4	T123 A127 A128 V129 D222	T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 WeakPolarHBondContact OG1-CB 3.49Å; T123-S125 PolarHBondContact OG1-N 3.11Å; S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 3.3Å; S125-A127 PolarHBondContact OG-N 3.44Å; S125-A127 VanDerWaalsContact OG-N 3.12Å; S125-A128 PolarHBondContact O-N 3.34Å; S125-V129 WeakPolarHBondContact O-CG2 3.32Å; S125-V129 PolarHBondContact O-N 3.05Å; S125-D222 WeakPolarHBondContact CB-OD1 3.48Å; S125-D222 PolarHBondContact OG-OD1 2.81Å
126	K	98.8	Very high	98.3	Very high	179 Å²	179	35.5 Å²	35.5	78%	0.778	19%	0.193	S	C	*	.	H	α-helix	trans	-62.5	-35.2	173.8	-67.5	-179.3	-177.4	174.4	0	111.7	H124 V129 M130	H124-K126 PolarHBondContact O-N 3.27Å; K126-V129 PolarHBondContact O-N 2.8Å; K126-M130 WeakPolarHBondContact O-CB 3.44Å; K126-M130 VanDerWaalsContact O-CG 3.32Å; K126-M130 WeakPolarHBondContact O-CG 3.39Å; K126-M130 PolarHBondContact O-N 3.19Å
127	A	98.8	Very high	98.3	Very high	10 Å²	10	35.6 Å²	35.6	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-44.8	177.2	0	0	0	0	0	110.9	S125 M130 T131 F225 D226	S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 3.3Å; S125-A127 PolarHBondContact OG-N 3.44Å; S125-A127 VanDerWaalsContact OG-N 3.12Å; A127-M130 PolarHBondContact O-N 3.41Å; A127-T131 VanDerWaalsContact O-CB 3.3Å; A127-T131 WeakPolarHBondContact O-CB 3.5Å; A127-T131 PolarHBondContact O-N 2.92Å; A127-T131 PolarHBondContact O-OG1 3.03Å; A127-F225 HydrophobicContact CB-CB 4.06Å; A127-D226 HydrophobicContact CB-CB 3.88Å
128	A	98.8	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-49.9	173.4	0	0	0	0	0	111.3	S125 M130 T131 T132 L198 V204 F225	S125-A128 PolarHBondContact O-N 3.34Å; A128-M130 PolarHBondContact O-N 3.25Å; A128-T131 WeakPolarHBondContact O-CB 3.17Å; A128-T131 PolarHBondContact O-N 3.01Å; A128-T132 WeakPolarHBondContact O-CG2 3.32Å; A128-T132 PolarHBondContact O-N 3.39Å; A128-L198 HydrophobicContact CB-CD2 3.8Å; A128-V204 HydrophobicContact CB-CB 4.21Å; A128-V204 HydrophobicContact CB-CG1 4.19Å; A128-F225 HydrophobicContact CB-CD2 3.93Å; A128-F225 HydrophobicContact CB-CE2 4.22Å
129	V	98.8	Very high	98.4	Very high	37 Å²	37	40.3 Å²	40.3	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-51.2	178.7	170.7	0	0	0	0	111.5	S125 K126 T131 T132 L133	S125-V129 WeakPolarHBondContact O-CG2 3.32Å; S125-V129 PolarHBondContact O-N 3.05Å; K126-V129 PolarHBondContact O-N 2.8Å; V129-T131 VanDerWaalsContact C-N 3.3Å; V129-T131 PolarHBondContact O-N 3.21Å; V129-T132 PolarHBondContact O-N 3.43Å; V129-T132 VanDerWaalsContact O-N 3.15Å; V129-T132 PolarHBondContact O-OG1 3.18Å; V129-L133 HydrophobicContact CG1-CD1 4.41Å; V129-L133 PolarHBondContact O-N 3.31Å
130	M	98.8	Very high	98.4	Very high	77 Å²	77	40.3 Å²	40.3	38%	0.379	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-39.9	179.3	-75.5	-58.8	-61.1	0	0	112.1	K126 A127 A128 T132 L133 L134 V229	K126-M130 WeakPolarHBondContact O-CB 3.44Å; K126-M130 VanDerWaalsContact O-CG 3.32Å; K126-M130 WeakPolarHBondContact O-CG 3.39Å; K126-M130 PolarHBondContact O-N 3.19Å; A127-M130 PolarHBondContact O-N 3.41Å; A128-M130 PolarHBondContact O-N 3.25Å; M130-T132 VanDerWaalsContact C-N 3.34Å; M130-T132 PolarHBondContact O-N 2.91Å; M130-L133 WeakPolarHBondContact O-CB 3.06Å; M130-L133 PolarHBondContact O-N 3.08Å; M130-L133 VanDerWaalsContact O-N 3.1Å; M130-L133 HydrophobicContact SD-CD1 4.25Å; M130-L134 PolarHBondContact O-N 3.16Å; M130-V229 HydrophobicContact CB-CG1 4.45Å; M130-V229 HydrophobicContact CB-CG2 3.89Å
131	T	98.8	Very high	98.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.5	-65.3	0	0	0	0	110.9	A127 A128 V129 L133 L134 Y135 F140 L198 F225	A127-T131 VanDerWaalsContact O-CB 3.3Å; A127-T131 WeakPolarHBondContact O-CB 3.5Å; A127-T131 PolarHBondContact O-N 2.92Å; A127-T131 PolarHBondContact O-OG1 3.03Å; A128-T131 WeakPolarHBondContact O-CB 3.17Å; A128-T131 PolarHBondContact O-N 3.01Å; V129-T131 VanDerWaalsContact C-N 3.3Å; V129-T131 PolarHBondContact O-N 3.21Å; T131-L133 PolarHBondContact O-N 3.01Å; T131-L133 VanDerWaalsContact O-N 3.12Å; T131-L134 PolarHBondContact O-N 2.8Å; T131-Y135 HydrophobicContact CG2-CD2 3.87Å; T131-Y135 HydrophobicContact CG2-CE2 4.16Å; T131-Y135 WeakPolarHBondContact O-CB 3.05Å; T131-Y135 VanDerWaalsContact O-CD2 3.29Å; T131-Y135 WeakPolarHBondContact O-CD2 3.48Å; T131-Y135 PolarHBondContact O-N 3.43Å; T131-F140 HydrophobicContact CG2-CB 4.1Å; T131-F140 HydrophobicContact CG2-CD2 3.23Å; T131-F140 HydrophobicContact CG2-CE2 3.76Å; T131-F140 HydrophobicContact CG2-CG 3.79Å; T131-L198 HydrophobicContact CG2-CD1 4.11Å; T131-F225 HydrophobicContact CG2-CD1 4.04Å; T131-F225 HydrophobicContact CG2-CG 4.48Å; T131-F225 WeakPolarHBondContact OG1-CA 3.44Å; T131-F225 VanDerWaalsContact OG1-CB 3.29Å; T131-F225 WeakPolarHBondContact OG1-CB 3.22Å; T131-F225 PolarHBondContact OG1-O 3.08Å
132	T	98.8	Very high	98.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-20.1	178.7	70.8	0	0	0	0	114.5	A128 V129 M130 I170 L198 R200 R201	A128-T132 WeakPolarHBondContact O-CG2 3.32Å; A128-T132 PolarHBondContact O-N 3.39Å; V129-T132 PolarHBondContact O-N 3.43Å; V129-T132 VanDerWaalsContact O-N 3.15Å; V129-T132 PolarHBondContact O-OG1 3.18Å; M130-T132 VanDerWaalsContact C-N 3.34Å; M130-T132 PolarHBondContact O-N 2.91Å; T132-I170 HydrophobicContact CG2-CG2 4Å; T132-L198 HydrophobicContact CG2-CB 3.87Å; T132-L198 HydrophobicContact CG2-CD1 4.4Å; T132-L198 HydrophobicContact CG2-CD2 3.87Å; T132-L198 HydrophobicContact CG2-CG 4.28Å; T132-R200 PolarHBondContact O-NH1 3.37Å; T132-R200 WeakPolarHBondContact OG1-CA 3.32Å; T132-R201 PolarHBondContact OG1-N 3.22Å; T132-R201 VanDerWaalsContact OG1-N 3.1Å
133	L	98.6	Very high	98.4	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-84.7	-38.5	176	-65.3	174.9	0	0	0	112.2	V129 M130 T131 R201	V129-L133 HydrophobicContact CG1-CD1 4.41Å; V129-L133 PolarHBondContact O-N 3.31Å; M130-L133 WeakPolarHBondContact O-CB 3.06Å; M130-L133 PolarHBondContact O-N 3.08Å; M130-L133 VanDerWaalsContact O-N 3.1Å; M130-L133 HydrophobicContact SD-CD1 4.25Å; T131-L133 PolarHBondContact O-N 3.01Å; T131-L133 VanDerWaalsContact O-N 3.12Å; L133-R201 HydrophobicContact CD2-CG 3.74Å
134	L	98.5	Very high	98.4	Very high	66 Å²	66	48 Å²	48	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-79.3	-19.1	178.8	-69.3	177.2	0	0	0	113.5	M130 T131 P136 V229 K232	M130-L134 PolarHBondContact O-N 3.16Å; T131-L134 PolarHBondContact O-N 2.8Å; L134-P136 VanDerWaalsContact O-CD 3.26Å; L134-P136 WeakPolarHBondContact O-CD 3.18Å; L134-V229 HydrophobicContact CD1-CB 4.18Å; L134-V229 HydrophobicContact CD1-CG1 3.96Å; L134-V229 HydrophobicContact CD1-CG2 3.97Å; L134-K232 HydrophobicContact CB-CD 4.15Å; L134-K232 HydrophobicContact CD1-CB 4.48Å; L134-K232 HydrophobicContact CD1-CD 4.38Å
135	Y	98.1	Very high	98.4	Very high	20 Å²	20	47.2 Å²	47.2	8%	0.078	24%	0.242	C	C	.	.			trans	-111.7	80.8	175.4	-68.8	-102.8	0	0	0	109.4	T131 G137 F140 R141 I170 R200 A228 K232 P238	T131-Y135 HydrophobicContact CG2-CD2 3.87Å; T131-Y135 HydrophobicContact CG2-CE2 4.16Å; T131-Y135 WeakPolarHBondContact O-CB 3.05Å; T131-Y135 VanDerWaalsContact O-CD2 3.29Å; T131-Y135 WeakPolarHBondContact O-CD2 3.48Å; T131-Y135 PolarHBondContact O-N 3.43Å; Y135-G137 PolarHBondContact O-N 3.07Å; Y135-F140 HydrophobicContact CD1-CD2 4.22Å; Y135-F140 AromaticContact CD2-CD2 3.98Å; Y135-F140 HydrophobicContact CD2-CD2 3.98Å; Y135-F140 AromaticContact CE1-CD2 3.95Å; Y135-F140 HydrophobicContact CE1-CD2 3.95Å; Y135-F140 HydrophobicContact CE1-CE2 4.45Å; Y135-F140 AromaticContact CE2-CD2 3.68Å; Y135-F140 HydrophobicContact CE2-CD2 3.68Å; Y135-F140 AromaticContact CE2-CE2 3.92Å; Y135-F140 HydrophobicContact CE2-CE2 3.92Å; Y135-F140 HydrophobicContact CG-CD2 4.23Å; Y135-F140 AromaticContact CZ-CD2 3.66Å; Y135-F140 AromaticContact CZ-CE2 3.81Å; Y135-R141 PolarHBondContact OH-O 2.77Å; Y135-I170 WeakPolarHBondContact O-CD1 3.3Å; Y135-R200 PolarHBondContact O-NH1 3.31Å; Y135-A228 HydrophobicContact CE2-CB 4.45Å; Y135-K232 HydrophobicContact CE2-CD 4.03Å; Y135-K232 VanDerWaalsContact CE2-CE 3.45Å; Y135-K232 VanDerWaalsContact OH-CE 3.3Å; Y135-K232 WeakPolarHBondContact OH-CE 3.32Å; Y135-P238 WeakPolarHBondContact OH-CG 3.48Å
136	P	94.1	Very high	98.4	Very high	112 Å²	112	52.5 Å²	52.5	73%	0.727	27%	0.266	S	S	*	.			trans	-70.1	-12.5	-172.4	29.2	-36.7	0	0	0	113.9	L134	L134-P136 VanDerWaalsContact O-CD 3.26Å; L134-P136 WeakPolarHBondContact O-CD 3.18Å
137	G	97.4	Very high	98.4	Very high	44 Å²	44	47 Å²	47	45%	0.454	24%	0.244	S	C	.	.	S	Bend	trans	-75.1	-167	174.6	0	0	0	0	0	113.4	Y135 E139 R200	Y135-G137 PolarHBondContact O-N 3.07Å; G137-E139 VanDerWaalsContact C-N 3.33Å; G137-R200 PolarHBondContact O-NH1 2.86Å; G137-R200 PolarHBondContact O-NH2 2.88Å
138	K	98.3	Very high	98.4	Very high	121 Å²	121	46.6 Å²	46.6	53%	0.526	24%	0.24	S	C	.	.	S	Bend	trans	-84.8	-2.6	-180	71.5	178.8	-169.4	159.7	0	114.3	I170 Y191	K138-I170 PolarHBondContact O-N 3.47Å; K138-Y191 WeakPolarHBondContact CE-OH 3.17Å; K138-Y191 PolarHBondContact NZ-OH 3.44Å
139	E	98.8	Very high	98.4	Very high	46 Å²	46	51 Å²	51	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.5	-171.6	-77.2	162.8	-150.7	0	0	111.1	G137 R141 V167 Y191	G137-E139 VanDerWaalsContact C-N 3.33Å; E139-R141 HydrophobicContact CB-CG 4.04Å; E139-R141 WeakPolarHBondContact OE2-CD 3.27Å; E139-R141 IonicContact OE2-NE 3.56Å; E139-R141 IonicContact OE2-NH1 2.91Å; E139-R141 PolarHBondContact OE2-NH1 2.83Å; E139-V167 HydrophobicContact CB-CG1 4.07Å; E139-V167 HydrophobicContact CG-CG1 3.58Å; E139-Y191 HydrophobicContact CG-CE1 3.91Å; E139-Y191 PolarHBondContact OE1-OH 3.37Å; E139-Y191 VanDerWaalsContact OE1-OH 3.04Å
140	F	98.9	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.9	153.2	164.5	-104.9	0	0	0	108.6	T131 Y135 I142 V167 V168 I170 L198 F225 A228	T131-F140 HydrophobicContact CG2-CB 4.1Å; T131-F140 HydrophobicContact CG2-CD2 3.23Å; T131-F140 HydrophobicContact CG2-CE2 3.76Å; T131-F140 HydrophobicContact CG2-CG 3.79Å; Y135-F140 HydrophobicContact CD1-CD2 4.22Å; Y135-F140 AromaticContact CD2-CD2 3.98Å; Y135-F140 HydrophobicContact CD2-CD2 3.98Å; Y135-F140 AromaticContact CE1-CD2 3.95Å; Y135-F140 HydrophobicContact CE1-CD2 3.95Å; Y135-F140 HydrophobicContact CE1-CE2 4.45Å; Y135-F140 AromaticContact CE2-CD2 3.68Å; Y135-F140 HydrophobicContact CE2-CD2 3.68Å; Y135-F140 AromaticContact CE2-CE2 3.92Å; Y135-F140 HydrophobicContact CE2-CE2 3.92Å; Y135-F140 HydrophobicContact CG-CD2 4.23Å; Y135-F140 AromaticContact CZ-CD2 3.66Å; Y135-F140 AromaticContact CZ-CE2 3.81Å; F140-I142 HydrophobicContact CE1-CB 4.2Å; F140-I142 HydrophobicContact CE1-CG2 3.6Å; F140-I142 HydrophobicContact CE2-CB 4.43Å; F140-I142 HydrophobicContact CZ-CB 3.76Å; F140-I142 HydrophobicContact CZ-CD1 4.37Å; F140-I142 HydrophobicContact CZ-CG2 3.6Å; F140-V167 WeakPolarHBondContact O-CA 3.49Å; F140-V168 HydrophobicContact CB-CB 4.32Å; F140-V168 HydrophobicContact CD1-CB 4.06Å; F140-V168 HydrophobicContact CD1-CG2 3.96Å; F140-V168 PolarHBondContact N-O 3.25Å; F140-V168 PolarHBondContact O-N 3.35Å; F140-I170 HydrophobicContact CB-CD1 4.23Å; F140-I170 HydrophobicContact CB-CG1 4.46Å; F140-L198 HydrophobicContact CB-CD1 3.67Å; F140-L198 HydrophobicContact CG-CD1 4.26Å; F140-F225 AromaticContact CD1-CD1 3.92Å; F140-F225 HydrophobicContact CD1-CD1 3.92Å; F140-F225 AromaticContact CD1-CE1 3.61Å; F140-F225 HydrophobicContact CD1-CE1 3.61Å; F140-F225 HydrophobicContact CD2-CD1 4.48Å; F140-F225 AromaticContact CE1-CD1 3.65Å; F140-F225 HydrophobicContact CE1-CD1 3.65Å; F140-F225 AromaticContact CE1-CE1 3.66Å; F140-F225 HydrophobicContact CE1-CE1 3.66Å; F140-F225 HydrophobicContact CE2-CD1 4.24Å; F140-F225 HydrophobicContact CG-CD1 4.3Å; F140-F225 HydrophobicContact CG-CE1 4.21Å; F140-F225 AromaticContact CZ-CD1 3.82Å; F140-F225 HydrophobicContact CZ-CD1 3.82Å; F140-F225 HydrophobicContact CZ-CE1 4.3Å; F140-A228 HydrophobicContact CE2-CB 3.59Å; F140-A228 HydrophobicContact CZ-CB 4.03Å
141	R	98.9	Very high	98.4	Very high	108 Å²	108	46.9 Å²	46.9	41%	0.408	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.4	-178.3	-58.6	-178.3	71	156.9	-8.8	110.8	Y135 E139 M165 L166 V167	Y135-R141 PolarHBondContact OH-O 2.77Å; E139-R141 HydrophobicContact CB-CG 4.04Å; E139-R141 WeakPolarHBondContact OE2-CD 3.27Å; E139-R141 IonicContact OE2-NE 3.56Å; E139-R141 IonicContact OE2-NH1 2.91Å; E139-R141 PolarHBondContact OE2-NH1 2.83Å; R141-M165 HydrophobicContact CB-SD 3.89Å; R141-L166 WeakPolarHBondContact CA-O 3.49Å; R141-V167 HydrophobicContact CG-CG1 4.44Å; R141-V167 HydrophobicContact CG-CG2 4.22Å
142	I	98.9	Very high	98.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	147.8	175.8	-170	168.4	0	0	0	110.3	F140 Q145 I148 L166 L224 I227 A228 P238	F140-I142 HydrophobicContact CE1-CB 4.2Å; F140-I142 HydrophobicContact CE1-CG2 3.6Å; F140-I142 HydrophobicContact CE2-CB 4.43Å; F140-I142 HydrophobicContact CZ-CB 3.76Å; F140-I142 HydrophobicContact CZ-CD1 4.37Å; F140-I142 HydrophobicContact CZ-CG2 3.6Å; I142-Q145 HydrophobicContact CD1-CG 3.68Å; I142-Q145 HydrophobicContact CG1-CG 3.91Å; I142-I148 HydrophobicContact CG2-CD1 4.43Å; I142-L166 HydrophobicContact CG2-CB 3.98Å; I142-L166 HydrophobicContact CG2-CD2 4.01Å; I142-L166 HydrophobicContact CG2-CG 4.41Å; I142-L166 PolarHBondContact N-O 3.18Å; I142-L166 VanDerWaalsContact N-O 3.09Å; I142-L166 PolarHBondContact O-N 2.88Å; I142-L224 HydrophobicContact CD1-CB 4.41Å; I142-L224 HydrophobicContact CD1-CD2 3.92Å; I142-L224 HydrophobicContact CG2-CB 4.44Å; I142-L224 HydrophobicContact CG2-CD2 4.34Å; I142-I227 HydrophobicContact CD1-CG2 3.9Å; I142-A228 HydrophobicContact CD1-CB 4.15Å; I142-P238 WeakPolarHBondContact CA-O 3.24Å; I142-P238 HydrophobicContact CB-CB 4.46Å; I142-P238 HydrophobicContact CD1-CB 4.2Å; I142-P238 HydrophobicContact CG1-CB 3.93Å
143	T	98.8	Very high	98.3	Very high	5 Å²	5	52 Å²	52	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	167.8	178	-167.6	0	0	0	0	111.7	Q145 D164 M165 P238 A240	T143-Q145 VanDerWaalsContact C-N 3.29Å; T143-Q145 PolarHBondContact O-N 2.83Å; T143-D164 WeakPolarHBondContact CA-O 3.42Å; T143-D164 WeakPolarHBondContact CB-O 3.42Å; T143-D164 PolarHBondContact OG1-O 2.98Å; T143-M165 HydrophobicContact CG2-CE 3.88Å; T143-P238 PolarHBondContact N-O 2.86Å; T143-A240 WeakPolarHBondContact CG2-O 3.26Å
144	H	98.1	Very high	97.9	Very high	52 Å²	52	50.6 Å²	50.6	24%	0.241	27%	0.266	C	S	.	.	S	Bend	trans	58	37.7	173.1	-66.8	65.7	0	0	0	113.9	Y162 L241 P242	H144-Y162 WeakPolarHBondContact CA-O 3.23Å; H144-Y162 AromaticContact CD2-CE2 3.92Å; H144-Y162 PolarHBondContact N-O 3.45Å; H144-L241 WeakPolarHBondContact CE1-CD2 3.44Å; H144-P242 HydrophobicContact CB-CG 3.6Å; H144-P242 WeakPolarHBondContact CD2-CD 3.4Å
145	Q	98.6	Very high	97.5	Very high	43 Å²	43	52 Å²	52	20%	0.201	28%	0.277	C	S	.	.			trans	-120.2	134.7	174.2	-62.8	-58.2	-46.6	0	0	110.1	I142 T143 M147 I148 Y162 L224	I142-Q145 HydrophobicContact CD1-CG 3.68Å; I142-Q145 HydrophobicContact CG1-CG 3.91Å; T143-Q145 VanDerWaalsContact C-N 3.29Å; T143-Q145 PolarHBondContact O-N 2.83Å; Q145-M147 PolarHBondContact O-N 3.21Å; Q145-I148 HydrophobicContact CB-CD1 4.06Å; Q145-I148 HydrophobicContact CB-CG1 4.12Å; Q145-I148 VanDerWaalsContact O-CB 3.27Å; Q145-I148 WeakPolarHBondContact O-CB 3.48Å; Q145-I148 WeakPolarHBondContact O-CG1 3.1Å; Q145-I148 PolarHBondContact O-N 2.97Å; Q145-I148 VanDerWaalsContact O-N 3.08Å; Q145-Y162 PolarHBondContact N-O 3.07Å; Q145-L224 HydrophobicContact CB-CD2 3.58Å; Q145-L224 HydrophobicContact CG-CD2 4.03Å
146	E	98.7	Very high	97.1	Very high	116 Å²	116	54.1 Å²	54.1	54%	0.542	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-60.3	-35.7	-177.2	-176.4	62.5	-170.6	0	0	112.3	I148 K149	E146-I148 PolarHBondContact O-N 3.5Å; E146-I148 VanDerWaalsContact O-N 3.12Å; E146-K149 WeakPolarHBondContact O-CB 3.35Å; E146-K149 PolarHBondContact O-N 3.05Å; E146-K149 WeakPolarHBondContact OE1-CD 3.36Å; E146-K149 WeakPolarHBondContact OE1-CE 3.45Å; E146-K149 IonicContact OE1-NZ 2.88Å; E146-K149 PolarHBondContact OE1-NZ 3.12Å; E146-K149 WeakPolarHBondContact OE2-CD 3.37Å; E146-K149 IonicContact OE2-NZ 3.99Å
147	M	98.8	Very high	96.8	Very high	65 Å²	65	50 Å²	50	32%	0.32	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.9	-13.7	180	-64.2	-67.4	-76.3	0	0	113.5	Q145 K149 G150 C220 Y223 L224	Q145-M147 PolarHBondContact O-N 3.21Å; M147-K149 PolarHBondContact O-N 2.98Å; M147-G150 PolarHBondContact O-N 2.65Å; M147-C220 HydrophobicContact CE-CB 4.38Å; M147-Y223 HydrophobicContact CB-CD1 3.87Å; M147-Y223 HydrophobicContact CB-CE1 4.24Å; M147-Y223 HydrophobicContact CE-CD2 4.45Å; M147-Y223 HydrophobicContact CE-CG 4.12Å; M147-Y223 HydrophobicContact CG-CD1 3.49Å; M147-Y223 VanDerWaalsContact CG-CD1 3.49Å; M147-Y223 HydrophobicContact CG-CE1 3.6Å; M147-Y223 HydrophobicContact CG-CG 4Å; M147-L224 HydrophobicContact CB-CD1 4.46Å; M147-L224 HydrophobicContact CB-CD2 4.04Å; M147-L224 HydrophobicContact CB-CG 4.11Å
148	I	98.9	Very high	96.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.9	-32.2	171.3	-66.9	171.6	0	0	0	110.7	I142 Q145 E146 G150 I151 Y160 R161 L166 L224	I142-I148 HydrophobicContact CG2-CD1 4.43Å; Q145-I148 HydrophobicContact CB-CD1 4.06Å; Q145-I148 HydrophobicContact CB-CG1 4.12Å; Q145-I148 VanDerWaalsContact O-CB 3.27Å; Q145-I148 WeakPolarHBondContact O-CB 3.48Å; Q145-I148 WeakPolarHBondContact O-CG1 3.1Å; Q145-I148 PolarHBondContact O-N 2.97Å; Q145-I148 VanDerWaalsContact O-N 3.08Å; E146-I148 PolarHBondContact O-N 3.5Å; E146-I148 VanDerWaalsContact O-N 3.12Å; I148-G150 PolarHBondContact O-N 2.93Å; I148-G150 VanDerWaalsContact O-N 3.13Å; I148-I151 WeakPolarHBondContact O-CB 3.19Å; I148-I151 PolarHBondContact O-N 3.12Å; I148-Y160 VanDerWaalsContact CG2-CB 3.43Å; I148-Y160 HydrophobicContact CG2-CG 4.21Å; I148-R161 WeakPolarHBondContact CG2-O 3.37Å; I148-L166 HydrophobicContact CD1-CB 4.31Å; I148-L166 HydrophobicContact CG1-CB 4.26Å; I148-L166 HydrophobicContact CG1-CD2 4.42Å; I148-L166 HydrophobicContact CG2-CB 4.34Å; I148-L224 HydrophobicContact CG1-CD1 4.05Å; I148-L224 HydrophobicContact CG1-CD2 3.98Å
149	K	98.6	Very high	96.7	Very high	94 Å²	94	49.5 Å²	49.5	41%	0.409	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64	-18.1	178.7	-65.8	165.2	59.4	-174	0	114.1	E146 M147 I151 N159 Y160	E146-K149 WeakPolarHBondContact O-CB 3.35Å; E146-K149 PolarHBondContact O-N 3.05Å; E146-K149 WeakPolarHBondContact OE1-CD 3.36Å; E146-K149 WeakPolarHBondContact OE1-CE 3.45Å; E146-K149 IonicContact OE1-NZ 2.88Å; E146-K149 PolarHBondContact OE1-NZ 3.12Å; E146-K149 WeakPolarHBondContact OE2-CD 3.37Å; E146-K149 IonicContact OE2-NZ 3.99Å; M147-K149 PolarHBondContact O-N 2.98Å; K149-I151 VanDerWaalsContact C-N 3.29Å; K149-N159 WeakPolarHBondContact O-CB 3.1Å; K149-N159 PolarHBondContact O-ND2 2.99Å; K149-Y160 WeakPolarHBondContact CA-O 3.48Å
150	G	98.5	Very high	96.7	Very high	27 Å²	27	48.6 Å²	48.6	28%	0.278	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-78.5	-12.3	174	0	0	0	0	0	113.7	M147 I148 M217	M147-G150 PolarHBondContact O-N 2.65Å; I148-G150 PolarHBondContact O-N 2.93Å; I148-G150 VanDerWaalsContact O-N 3.13Å; G150-M217 WeakPolarHBondContact O-CG 3.24Å
151	I	98.8	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-91.6	133.5	-177.5	-51.6	-56	0	0	0	110.4	I148 K149 N159 Y160 L166 M217 C220 Y221 L224	I148-I151 WeakPolarHBondContact O-CB 3.19Å; I148-I151 PolarHBondContact O-N 3.12Å; K149-I151 VanDerWaalsContact C-N 3.29Å; I151-N159 CarbonylContact O-C 3.5Å; I151-N159 VanDerWaalsContact O-CA 3.26Å; I151-N159 WeakPolarHBondContact O-CA 3.44Å; I151-Y160 HydrophobicContact CB-CD2 3.98Å; I151-Y160 HydrophobicContact CG2-CD2 3.81Å; I151-Y160 HydrophobicContact CG2-CE2 3.95Å; I151-Y160 WeakPolarHBondContact O-CD2 3.39Å; I151-Y160 PolarHBondContact O-N 3.19Å; I151-L166 HydrophobicContact CB-CD1 4.46Å; I151-L166 HydrophobicContact CG1-CD2 4.18Å; I151-L166 HydrophobicContact CG2-CD1 3.96Å; I151-M217 HydrophobicContact CD1-CB 4.3Å; I151-M217 HydrophobicContact CD1-CG 4.39Å; I151-C220 HydrophobicContact CD1-CB 3.48Å; I151-C220 VanDerWaalsContact CD1-CB 3.48Å; I151-C220 HydrophobicContact CG1-CB 4.34Å; I151-Y221 HydrophobicContact CD1-CD1 3.97Å; I151-Y221 HydrophobicContact CD1-CD2 3.89Å; I151-Y221 HydrophobicContact CD1-CE1 3.91Å; I151-Y221 HydrophobicContact CD1-CE2 3.83Å; I151-Y221 HydrophobicContact CD1-CG 3.96Å; I151-Y221 HydrophobicContact CG1-CE1 4.24Å; I151-Y221 HydrophobicContact CG2-CE1 4.1Å; I151-Y221 HydrophobicContact CG2-CE2 4.3Å; I151-Y221 VanDerWaalsContact CG2-OH 3.24Å; I151-Y221 WeakPolarHBondContact CG2-OH 3.35Å; I151-L224 HydrophobicContact CG1-CD1 4.32Å
152	R	97.8	Very high	96.6	Very high	63 Å²	63	55.5 Å²	55.5	24%	0.238	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-92.7	143.1	177	-161.8	161.2	173.9	91.9	-7.7	110.5	G157 C195 E209 M217	R152-G157 PolarHBondContact NH1-O 2.64Å; R152-G157 PolarHBondContact NH2-O 3.12Å; R152-C195 PolarHBondContact O-SG 3.05Å; R152-C195 VanDerWaalsContact O-SG 3.37Å; R152-E209 IonicContact CZ-OE1 3.5Å; R152-E209 IonicContact CZ-OE2 3.18Å; R152-E209 IonicContact NE-OE1 2.89Å; R152-E209 PolarHBondContact NE-OE1 3.12Å; R152-E209 IonicContact NE-OE2 2.88Å; R152-E209 IonicContact NH1-OE1 3.79Å; R152-E209 IonicContact NH2-OE1 3.87Å; R152-E209 PolarHBondContact NH2-OE1 2.96Å; R152-E209 VanDerWaalsContact NH2-OE1 3.13Å; R152-E209 IonicContact NH2-OE2 3.79Å; R152-E209 PolarHBondContact NH2-OE2 3.14Å; R152-M217 HydrophobicContact CB-SD 3.71Å; R152-M217 PolarHBondContact N-SD 2.83Å
153	K	97.5	Very high	96.5	Very high	44 Å²	44	58 Å²	58	19%	0.191	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-82.4	117.5	169.3	-70.7	176.4	-176.7	172.7	0	108.4	T155 S156 G157 T158 Y160 D164 D193	K153-T155 VanDerWaalsContact C-N 3.31Å; K153-T155 PolarHBondContact O-N 3.07Å; K153-S156 VanDerWaalsContact CB-OG 3.29Å; K153-S156 WeakPolarHBondContact CB-OG 3.37Å; K153-S156 PolarHBondContact O-N 3.34Å; K153-G157 PolarHBondContact O-N 3.09Å; K153-T158 WeakPolarHBondContact CB-O 3.42Å; K153-T158 PolarHBondContact N-O 3.35Å; K153-Y160 HydrophobicContact CB-CE2 4.32Å; K153-Y160 HydrophobicContact CD-CD1 4.34Å; K153-Y160 HydrophobicContact CD-CE1 4.25Å; K153-Y160 HydrophobicContact CD-CE2 4.43Å; K153-Y160 HydrophobicContact CD-CG 4.48Å; K153-Y160 HydrophobicContact CG-CD1 4.22Å; K153-Y160 HydrophobicContact CG-CD2 3.66Å; K153-Y160 HydrophobicContact CG-CE1 3.98Å; K153-Y160 HydrophobicContact CG-CE2 3.36Å; K153-Y160 HydrophobicContact CG-CG 4.07Å; K153-D164 IonicContact NZ-OD2 3.41Å; K153-D164 PolarHBondContact NZ-OD2 3.27Å; K153-D193 HydrophobicContact CB-CB 4.4Å
154	G	92.2	Very high	96.5	Very high	37 Å²	37	59.6 Å²	59.6	38%	0.381	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.1	-174.1	0	0	0	0	0	114.7	D193	G154-D193 PolarHBondContact N-O 3.41Å
155	T	88.8	Confident	96.6	Very high	95 Å²	95	60 Å²	60	58%	0.583	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-38.3	-177.6	67.9	0	0	0	0	113.6	K153 P192 D193	K153-T155 VanDerWaalsContact C-N 3.31Å; K153-T155 PolarHBondContact O-N 3.07Å; T155-P192 HydrophobicContact CG2-CB 3.62Å; T155-P192 HydrophobicContact CG2-CG 4.12Å; T155-D193 VanDerWaalsContact CB-OD1 3.3Å; T155-D193 WeakPolarHBondContact CB-OD1 3.38Å; T155-D193 WeakPolarHBondContact CG2-OD1 3.35Å; T155-D193 PolarHBondContact N-OD1 3.04Å; T155-D193 PolarHBondContact OG1-OD1 2.73Å
156	S	88.9	Confident	96.6	Very high	65 Å²	65	58 Å²	58	46%	0.455	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-20.6	-174.9	70.7	0	0	0	0	113.8	K153 T158	K153-S156 VanDerWaalsContact CB-OG 3.29Å; K153-S156 WeakPolarHBondContact CB-OG 3.37Å; K153-S156 PolarHBondContact O-N 3.34Å; S156-T158 PolarHBondContact O-N 3.26Å; S156-T158 PolarHBondContact OG-N 3.43Å; S156-T158 PolarHBondContact OG-OG1 2.93Å
157	G	88.9	Confident	96.6	Very high	25 Å²	25	54 Å²	54	26%	0.258	29%	0.288	S	S	.	.			trans	65	18	-172.4	0	0	0	0	0	113.5	R152 K153	R152-G157 PolarHBondContact NH1-O 2.64Å; R152-G157 PolarHBondContact NH2-O 3.12Å; K153-G157 PolarHBondContact O-N 3.09Å
158	T	95.9	Very high	96.6	Very high	75 Å²	75	50.9 Å²	50.9	46%	0.46	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-99.4	158.7	170.9	62.3	0	0	0	0	109.9	K153 S156	K153-T158 WeakPolarHBondContact CB-O 3.42Å; K153-T158 PolarHBondContact N-O 3.35Å; S156-T158 PolarHBondContact O-N 3.26Å; S156-T158 PolarHBondContact OG-N 3.43Å; S156-T158 PolarHBondContact OG-OG1 2.93Å
159	N	97.6	Very high	96.6	Very high	80 Å²	80	51 Å²	51	43%	0.428	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-80.5	155.2	171.3	-68.5	11.4	0	0	0	110.9	K149 I151	K149-N159 WeakPolarHBondContact O-CB 3.1Å; K149-N159 PolarHBondContact O-ND2 2.99Å; I151-N159 CarbonylContact O-C 3.5Å; I151-N159 VanDerWaalsContact O-CA 3.26Å; I151-N159 WeakPolarHBondContact O-CA 3.44Å
160	Y	98.5	Very high	96.6	Very high	27 Å²	27	47 Å²	47	11%	0.106	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-64.8	161.1	165.1	-73.2	-94.6	0	0	0	110.6	I148 K149 I151 K153 D164 L166	I148-Y160 VanDerWaalsContact CG2-CB 3.43Å; I148-Y160 HydrophobicContact CG2-CG 4.21Å; K149-Y160 WeakPolarHBondContact CA-O 3.48Å; I151-Y160 HydrophobicContact CB-CD2 3.98Å; I151-Y160 HydrophobicContact CG2-CD2 3.81Å; I151-Y160 HydrophobicContact CG2-CE2 3.95Å; I151-Y160 WeakPolarHBondContact O-CD2 3.39Å; I151-Y160 PolarHBondContact O-N 3.19Å; K153-Y160 HydrophobicContact CB-CE2 4.32Å; K153-Y160 HydrophobicContact CD-CD1 4.34Å; K153-Y160 HydrophobicContact CD-CE1 4.25Å; K153-Y160 HydrophobicContact CD-CE2 4.43Å; K153-Y160 HydrophobicContact CD-CG 4.48Å; K153-Y160 HydrophobicContact CG-CD1 4.22Å; K153-Y160 HydrophobicContact CG-CD2 3.66Å; K153-Y160 HydrophobicContact CG-CE1 3.98Å; K153-Y160 HydrophobicContact CG-CE2 3.36Å; K153-Y160 HydrophobicContact CG-CG 4.07Å; Y160-D164 WeakPolarHBondContact CA-OD2 3.17Å; Y160-D164 HydrophobicContact CD1-CB 3.75Å; Y160-D164 WeakPolarHBondContact CD1-OD2 3.29Å; Y160-L166 HydrophobicContact CD2-CD1 4.31Å; Y160-L166 HydrophobicContact CE2-CD1 4.06Å
161	R	98.4	Very high	96.6	Very high	142 Å²	142	46.5 Å²	46.5	54%	0.536	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-97.5	164.4	171.3	-62.6	168.2	49.3	85.5	2.9	110.5	I148 D163 D164	I148-R161 WeakPolarHBondContact CG2-O 3.37Å; R161-D163 WeakPolarHBondContact CB-OD1 3.43Å; R161-D163 IonicContact CZ-OD1 3.03Å; R161-D163 IonicContact CZ-OD2 3.16Å; R161-D163 IonicContact NE-OD1 3.72Å; R161-D163 PolarHBondContact NE-OD1 2.91Å; R161-D163 IonicContact NE-OD2 2.62Å; R161-D163 IonicContact NH2-OD1 2.97Å; R161-D163 PolarHBondContact NH2-OD1 3.46Å; R161-D163 IonicContact NH2-OD2 3.77Å; R161-D163 PolarHBondContact NH2-OD2 3.47Å; R161-D163 PolarHBondContact O-N 3.42Å; R161-D164 PolarHBondContact N-OD2 3.15Å; R161-D164 WeakPolarHBondContact O-CB 3.4Å; R161-D164 PolarHBondContact O-N 3.39Å
162	Y	97.9	Very high	96.6	Very high	111 Å²	111	51 Å²	51	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.1	178.5	90.8	-86.6	0	0	0	112.1	H144 Q145	H144-Y162 WeakPolarHBondContact CA-O 3.23Å; H144-Y162 AromaticContact CD2-CE2 3.92Å; H144-Y162 PolarHBondContact N-O 3.45Å; Q145-Y162 PolarHBondContact N-O 3.07Å
163	D	97.4	Very high	96.5	Very high	53 Å²	53	51.1 Å²	51.1	28%	0.283	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.9	-176.5	53.1	-4.1	0	0	0	113.4	R161	R161-D163 WeakPolarHBondContact CB-OD1 3.43Å; R161-D163 IonicContact CZ-OD1 3.03Å; R161-D163 IonicContact CZ-OD2 3.16Å; R161-D163 IonicContact NE-OD1 3.72Å; R161-D163 PolarHBondContact NE-OD1 2.91Å; R161-D163 IonicContact NE-OD2 2.62Å; R161-D163 IonicContact NH2-OD1 2.97Å; R161-D163 PolarHBondContact NH2-OD1 3.46Å; R161-D163 IonicContact NH2-OD2 3.77Å; R161-D163 PolarHBondContact NH2-OD2 3.47Å; R161-D163 PolarHBondContact O-N 3.42Å
164	D	98.5	Very high	96.2	Very high	37 Å²	37	50 Å²	50	20%	0.198	27%	0.271	C	S	.	.	S	Bend	trans	-70.7	156	175.1	-77.7	-21.3	0	0	0	110.9	T143 K153 Y160 R161	T143-D164 WeakPolarHBondContact CA-O 3.42Å; T143-D164 WeakPolarHBondContact CB-O 3.42Å; T143-D164 PolarHBondContact OG1-O 2.98Å; K153-D164 IonicContact NZ-OD2 3.41Å; K153-D164 PolarHBondContact NZ-OD2 3.27Å; Y160-D164 WeakPolarHBondContact CA-OD2 3.17Å; Y160-D164 HydrophobicContact CD1-CB 3.75Å; Y160-D164 WeakPolarHBondContact CD1-OD2 3.29Å; R161-D164 PolarHBondContact N-OD2 3.15Å; R161-D164 WeakPolarHBondContact O-CB 3.4Å; R161-D164 PolarHBondContact O-N 3.39Å
165	M	98.6	Very high	95.9	Very high	61 Å²	61	54.2 Å²	54.2	30%	0.3	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.5	165.6	179.4	61.2	59.7	0	0	108.8	R141 T143 V167 S239	R141-M165 HydrophobicContact CB-SD 3.89Å; T143-M165 HydrophobicContact CG2-CE 3.88Å; M165-V167 HydrophobicContact CG-CG2 3.99Å; M165-S239 VanDerWaalsContact CE-O 3.31Å; M165-S239 WeakPolarHBondContact CE-O 3.44Å
166	L	98.8	Very high	95.6	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.1	171.1	178.7	65.6	0	0	0	109.4	R141 I142 I148 I151 Y160 V168 Y221 L224	R141-L166 WeakPolarHBondContact CA-O 3.49Å; I142-L166 HydrophobicContact CG2-CB 3.98Å; I142-L166 HydrophobicContact CG2-CD2 4.01Å; I142-L166 HydrophobicContact CG2-CG 4.41Å; I142-L166 PolarHBondContact N-O 3.18Å; I142-L166 VanDerWaalsContact N-O 3.09Å; I142-L166 PolarHBondContact O-N 2.88Å; I148-L166 HydrophobicContact CD1-CB 4.31Å; I148-L166 HydrophobicContact CG1-CB 4.26Å; I148-L166 HydrophobicContact CG1-CD2 4.42Å; I148-L166 HydrophobicContact CG2-CB 4.34Å; I151-L166 HydrophobicContact CB-CD1 4.46Å; I151-L166 HydrophobicContact CG1-CD2 4.18Å; I151-L166 HydrophobicContact CG2-CD1 3.96Å; Y160-L166 HydrophobicContact CD2-CD1 4.31Å; Y160-L166 HydrophobicContact CE2-CD1 4.06Å; L166-V168 HydrophobicContact CG-CG2 4.45Å; L166-Y221 HydrophobicContact CD1-CE1 4.29Å; L166-Y221 HydrophobicContact CD2-CD1 4.35Å; L166-Y221 HydrophobicContact CD2-CE1 4.05Å; L166-L224 HydrophobicContact CD2-CD1 3.55Å
167	V	98.9	Very high	95.1	Very high	31 Å²	31	56.1 Å²	56.1	19%	0.188	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.6	176.3	-176.4	0	0	0	0	109.2	E139 F140 R141 M165 Y191	E139-V167 HydrophobicContact CB-CG1 4.07Å; E139-V167 HydrophobicContact CG-CG1 3.58Å; F140-V167 WeakPolarHBondContact O-CA 3.49Å; R141-V167 HydrophobicContact CG-CG1 4.44Å; R141-V167 HydrophobicContact CG-CG2 4.22Å; M165-V167 HydrophobicContact CG-CG2 3.99Å; V167-Y191 HydrophobicContact CG1-CD1 4.14Å; V167-Y191 HydrophobicContact CG1-CE1 3.91Å
168	V	98.9	Very high	94.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.6	173.5	-176.7	0	0	0	0	108.8	F140 L166 A196 L198 Y221 F225	F140-V168 HydrophobicContact CB-CB 4.32Å; F140-V168 HydrophobicContact CD1-CB 4.06Å; F140-V168 HydrophobicContact CD1-CG2 3.96Å; F140-V168 PolarHBondContact N-O 3.25Å; F140-V168 PolarHBondContact O-N 3.35Å; L166-V168 HydrophobicContact CG-CG2 4.45Å; V168-A196 HydrophobicContact CG1-CB 4.01Å; V168-L198 HydrophobicContact CB-CD1 4.39Å; V168-L198 HydrophobicContact CG1-CD1 4.09Å; V168-L198 HydrophobicContact CG1-CG 4.04Å; V168-Y221 HydrophobicContact CG2-CD1 3.95Å; V168-Y221 HydrophobicContact CG2-CE1 3.46Å; V168-Y221 VanDerWaalsContact CG2-CE1 3.46Å; V168-F225 HydrophobicContact CG2-CE1 4.42Å
169	P	98.9	Very high	94	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.019	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.2	178.9	28.2	-34.9	0	0	0	111.5	A187 Y191 V197 L198	P169-A187 HydrophobicContact CB-CB 4.08Å; P169-A187 HydrophobicContact CG-CB 4.19Å; P169-Y191 HydrophobicContact CB-CD1 4.49Å; P169-Y191 HydrophobicContact CB-CD2 3.59Å; P169-Y191 HydrophobicContact CB-CE2 3.75Å; P169-Y191 HydrophobicContact CB-CG 3.99Å; P169-Y191 HydrophobicContact CG-CD2 3.97Å; P169-Y191 HydrophobicContact CG-CG 4.03Å; P169-V197 HydrophobicContact CG-CG2 4.17Å; P169-L198 PolarHBondContact O-N 3.02Å
170	I	98.9	Very high	93.8	Very high	10 Å²	10	58.8 Å²	58.8	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.1	175.4	-51.2	171.7	0	0	0	108.5	T132 Y135 K138 F140 L198 R200	T132-I170 HydrophobicContact CG2-CG2 4Å; Y135-I170 WeakPolarHBondContact O-CD1 3.3Å; K138-I170 PolarHBondContact O-N 3.47Å; F140-I170 HydrophobicContact CB-CD1 4.23Å; F140-I170 HydrophobicContact CB-CG1 4.46Å; I170-L198 CarbonylContact C-O 3.6Å; I170-L198 WeakPolarHBondContact CA-O 3.33Å; I170-L198 HydrophobicContact CB-CB 4.33Å; I170-L198 HydrophobicContact CD1-CD1 4.46Å; I170-L198 HydrophobicContact CG1-CB 3.91Å; I170-L198 HydrophobicContact CG1-CD1 3.95Å; I170-L198 HydrophobicContact CG2-CB 4.3Å; I170-R200 HydrophobicContact CG2-CB 4.08Å
171	I	98.7	Very high	93.6	Very high	16 Å²	16	60.1 Å²	60.1	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	152	172.7	66.1	173.5	0	0	0	111.1	L180 R183 M184 A187 V197 L198 V199 R200	I171-L180 HydrophobicContact CD1-CD1 3.89Å; I171-R183 HydrophobicContact CB-CB 4.29Å; I171-R183 HydrophobicContact CD1-CB 3.96Å; I171-R183 HydrophobicContact CG2-CB 4.4Å; I171-M184 HydrophobicContact CD1-CB 4.05Å; I171-A187 HydrophobicContact CG2-CB 3.6Å; I171-V197 HydrophobicContact CD1-CG1 3.98Å; I171-V197 HydrophobicContact CG1-CG1 3.89Å; I171-V197 HydrophobicContact CG2-CG1 3.97Å; I171-L198 PolarHBondContact N-O 3.45Å; I171-V199 HydrophobicContact CD1-CG2 4.05Å; I171-V199 HydrophobicContact CG1-CB 4.37Å; I171-V199 HydrophobicContact CG1-CG1 4.32Å; I171-V199 HydrophobicContact CG1-CG2 3.95Å; I171-R200 PolarHBondContact O-N 3.36Å
172	E	98	Very high	93.5	Very high	96 Å²	96	56.6 Å²	56.6	45%	0.449	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-71.8	136.7	171.9	-65.3	-51.1	135.5	0	0	111	R183 R200	E172-R183 PolarHBondContact O-NH1 2.96Å; E172-R200 IonicContact OE1-CZ 3.44Å; E172-R200 VanDerWaalsContact OE1-CZ 3.23Å; E172-R200 IonicContact OE1-NE 3.58Å; E172-R200 PolarHBondContact OE1-NE 3.18Å; E172-R200 IonicContact OE1-NH2 2.88Å; E172-R200 PolarHBondContact OE1-NH2 2.72Å; E172-R200 IonicContact OE2-NE 2.98Å; E172-R200 PolarHBondContact OE2-NE 3.49Å
173	N	96.3	Very high	93.5	Very high	64 Å²	64	55 Å²	55	34%	0.342	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-66.3	162.1	169.6	-162.5	22.8	0	0	0	110.9	R183 V199 R200 H202	N173-R183 PolarHBondContact O-NH1 2.82Å; N173-V199 HydrophobicContact CB-CG1 3.93Å; N173-R200 VanDerWaalsContact CB-O 3.24Å; N173-R200 WeakPolarHBondContact CB-O 3.35Å; N173-H202 HydrophobicContact CB-CB 4.44Å; N173-H202 PolarHBondContact OD1-ND1 3.45Å; N173-H202 VanDerWaalsContact OD1-ND1 3.08Å
174	T	92	Very high	93.6	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.135	26%	0.263	C	S	.	.			trans	-154.8	144.8	177	173.5	0	0	0	0	109.2	E176 D179 L180	T174-E176 VanDerWaalsContact CG2-O 3.25Å; T174-E176 WeakPolarHBondContact CG2-O 3.29Å; T174-E176 PolarHBondContact O-N 3.36Å; T174-E176 PolarHBondContact OG1-N 3.4Å; T174-D179 HydrophobicContact CG2-CB 3.78Å; T174-L180 HydrophobicContact CG2-CB 3.7Å; T174-L180 HydrophobicContact CG2-CD1 4.06Å; T174-L180 HydrophobicContact CG2-CG 4.44Å
175	P	84.1	Confident	93.6	Very high	125 Å²	125	51.6 Å²	51.6	81%	0.812	26%	0.26	S	S	*	.	S	Bend	trans	-62.4	-25.3	170.8	-20.6	33.3	0	0	0	113
176	E	82.9	Confident	93.6	Very high	122 Å²	122	56 Å²	56	57%	0.57	27%	0.273	S	S	*	.			trans	-90.2	109.1	-176.1	-59.7	-57.4	140.4	0	0	111.1	T174 K178 D179 L180	T174-E176 VanDerWaalsContact CG2-O 3.25Å; T174-E176 WeakPolarHBondContact CG2-O 3.29Å; T174-E176 PolarHBondContact O-N 3.36Å; T174-E176 PolarHBondContact OG1-N 3.4Å; E176-K178 PolarHBondContact O-N 3.42Å; E176-D179 HydrophobicContact CB-CB 4.29Å; E176-D179 PolarHBondContact O-N 2.91Å; E176-D179 VanDerWaalsContact O-N 3.15Å; E176-L180 PolarHBondContact O-N 2.98Å
177	E	78.8	Confident	93.5	Very high	77 Å²	77	56.3 Å²	56.3	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-56.3	-36.6	-176.9	-70.5	174.4	-165.3	0	0	113.3	Q103 D179 L180 K181	Q103-E177 VanDerWaalsContact CB-OE1 3.27Å; Q103-E177 WeakPolarHBondContact CB-OE1 3.38Å; Q103-E177 WeakPolarHBondContact CG-OE1 3.43Å; Q103-E177 PolarHBondContact NE2-OE1 2.91Å; E177-D179 PolarHBondContact O-N 3.27Å; E177-L180 WeakPolarHBondContact O-CB 3.49Å; E177-L180 PolarHBondContact O-N 3.14Å; E177-K181 PolarHBondContact O-N 3.44Å
178	K	78	Confident	93.5	Very high	155 Å²	155	54.9 Å²	54.9	67%	0.674	27%	0.268	S	S	*	.	H	α-helix	trans	-60.6	-46.5	178.9	-176.4	-178	176.1	-175.4	0	111.7	E176 L180 K181 D182	E176-K178 PolarHBondContact O-N 3.42Å; K178-L180 PolarHBondContact O-N 3.47Å; K178-K181 WeakPolarHBondContact O-CB 3.42Å; K178-K181 PolarHBondContact O-N 2.93Å; K178-D182 PolarHBondContact O-N 2.85Å; K178-D182 VanDerWaalsContact O-N 3.15Å
179	D	83.8	Confident	93.5	Very high	71 Å²	71	60.8 Å²	60.8	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-33.8	178.6	-74.7	-2	0	0	0	111.1	T174 E176 E177 R183	T174-D179 HydrophobicContact CG2-CB 3.78Å; E176-D179 HydrophobicContact CB-CB 4.29Å; E176-D179 PolarHBondContact O-N 2.91Å; E176-D179 VanDerWaalsContact O-N 3.15Å; E177-D179 PolarHBondContact O-N 3.27Å; D179-R183 WeakPolarHBondContact O-CB 3.36Å; D179-R183 WeakPolarHBondContact O-CG 3.36Å; D179-R183 PolarHBondContact O-N 3.48Å
180	L	93	Very high	93.5	Very high	10 Å²	10	66.9 Å²	66.9	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-68.9	-40.6	177.6	-162.9	66.8	0	0	0	111.7	L107 I171 T174 E176 E177 K178 R183 M184 V199	L107-L180 HydrophobicContact CD1-CD2 4.47Å; L107-L180 HydrophobicContact CD2-CD2 3.64Å; L107-L180 HydrophobicContact CD2-CG 3.85Å; I171-L180 HydrophobicContact CD1-CD1 3.89Å; T174-L180 HydrophobicContact CG2-CB 3.7Å; T174-L180 HydrophobicContact CG2-CD1 4.06Å; T174-L180 HydrophobicContact CG2-CG 4.44Å; E176-L180 PolarHBondContact O-N 2.98Å; E177-L180 WeakPolarHBondContact O-CB 3.49Å; E177-L180 PolarHBondContact O-N 3.14Å; K178-L180 PolarHBondContact O-N 3.47Å; L180-R183 PolarHBondContact O-N 2.82Å; L180-M184 WeakPolarHBondContact O-CB 3.34Å; L180-M184 PolarHBondContact O-N 3.33Å; L180-V199 HydrophobicContact CD1-CG1 3.84Å
181	K	95.1	Very high	93.5	Very high	56 Å²	56	68 Å²	68	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-49.7	173.3	-174.2	-173.8	-169.7	165.7	0	111	E87 P106 N110 E177 K178 M184 A185	E87-K181 IonicContact OE1-NZ 2.72Å; E87-K181 PolarHBondContact OE1-NZ 2.96Å; P106-K181 HydrophobicContact CB-CB 4.46Å; P106-K181 HydrophobicContact CB-CD 3.73Å; P106-K181 HydrophobicContact CB-CG 4.23Å; P106-K181 WeakPolarHBondContact O-CE 3.39Å; N110-K181 PolarHBondContact ND2-O 3.04Å; N110-K181 WeakPolarHBondContact OD1-CE 3.42Å; E177-K181 PolarHBondContact O-N 3.44Å; K178-K181 WeakPolarHBondContact O-CB 3.42Å; K178-K181 PolarHBondContact O-N 2.93Å; K181-M184 PolarHBondContact O-N 3.22Å; K181-A185 PolarHBondContact O-N 3.09Å
182	D	96.6	Very high	93.5	Very high	67 Å²	67	70 Å²	70	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-66.7	-39.8	-177.3	-70.1	-10.7	0	0	0	111.8	K178 A185 R186	K178-D182 PolarHBondContact O-N 2.85Å; K178-D182 VanDerWaalsContact O-N 3.15Å; D182-A185 PolarHBondContact O-N 2.87Å; D182-R186 WeakPolarHBondContact O-CG 3.32Å; D182-R186 PolarHBondContact O-N 3.02Å
183	R	97.9	Very high	93.5	Very high	79 Å²	79	67.8 Å²	67.8	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-43.7	174.8	-73	170.7	-169.3	-175.6	5.5	111.9	I171 E172 N173 D179 L180 R186 A187	I171-R183 HydrophobicContact CB-CB 4.29Å; I171-R183 HydrophobicContact CD1-CB 3.96Å; I171-R183 HydrophobicContact CG2-CB 4.4Å; E172-R183 PolarHBondContact O-NH1 2.96Å; N173-R183 PolarHBondContact O-NH1 2.82Å; D179-R183 WeakPolarHBondContact O-CB 3.36Å; D179-R183 WeakPolarHBondContact O-CG 3.36Å; D179-R183 PolarHBondContact O-N 3.48Å; L180-R183 PolarHBondContact O-N 2.82Å; R183-R186 PolarHBondContact O-N 2.89Å; R183-A187 WeakPolarHBondContact O-CB 3.5Å; R183-A187 PolarHBondContact O-N 3.23Å
184	M	98.3	Very high	93.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-44	177.4	-177.2	179.6	176.2	0	0	111.2	L107 I171 L180 K181 R186 A187 M188 V197 Y205 W207	L107-M184 HydrophobicContact CB-SD 3.78Å; L107-M184 HydrophobicContact CD2-SD 3.98Å; L107-M184 HydrophobicContact CG-SD 4.07Å; I171-M184 HydrophobicContact CD1-CB 4.05Å; L180-M184 WeakPolarHBondContact O-CB 3.34Å; L180-M184 PolarHBondContact O-N 3.33Å; K181-M184 PolarHBondContact O-N 3.22Å; M184-R186 PolarHBondContact O-N 2.83Å; M184-A187 PolarHBondContact O-N 2.81Å; M184-M188 HydrophobicContact CE-SD 3.99Å; M184-M188 HydrophobicContact CG-SD 3.98Å; M184-M188 VanDerWaalsContact O-CG 3.23Å; M184-M188 WeakPolarHBondContact O-CG 3.36Å; M184-M188 PolarHBondContact O-N 3.19Å; M184-V197 HydrophobicContact CG-CB 4.44Å; M184-V197 HydrophobicContact CG-CG2 4.15Å; M184-Y205 HydrophobicContact CE-CD1 4.29Å; M184-Y205 HydrophobicContact CE-CG 4.02Å; M184-Y205 HydrophobicContact SD-CG 4.23Å; M184-W207 HydrophobicContact CE-CE3 4.11Å; M184-W207 HydrophobicContact CE-CZ3 3.69Å
185	A	98.4	Very high	93.9	Very high	17 Å²	17	64.2 Å²	64.2	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-46.9	177.3	0	0	0	0	0	111.9	M114 K181 D182 A187 M188 E189	M114-A185 HydrophobicContact CE-CB 4.06Å; M114-A185 HydrophobicContact SD-CB 3.81Å; K181-A185 PolarHBondContact O-N 3.09Å; D182-A185 PolarHBondContact O-N 2.87Å; A185-A187 PolarHBondContact O-N 3.04Å; A185-M188 WeakPolarHBondContact O-CB 3.14Å; A185-M188 PolarHBondContact O-N 2.75Å; A185-M188 VanDerWaalsContact O-N 3.15Å; A185-E189 WeakPolarHBondContact O-CG 3.46Å; A185-E189 PolarHBondContact O-N 2.94Å
186	R	98.4	Very high	94.6	Very high	153 Å²	153	58.3 Å²	58.3	58%	0.577	28%	0.275	S	S	*	.	H	α-helix	trans	-60.7	-44.1	175.8	-69	175.3	-167.1	171.3	6.5	112.4	D182 R183 M184 M188 E189 E190	D182-R186 WeakPolarHBondContact O-CG 3.32Å; D182-R186 PolarHBondContact O-N 3.02Å; R183-R186 PolarHBondContact O-N 2.89Å; M184-R186 PolarHBondContact O-N 2.83Å; R186-M188 VanDerWaalsContact C-N 3.27Å; R186-M188 PolarHBondContact O-N 2.99Å; R186-E189 PolarHBondContact O-N 2.91Å; R186-E190 PolarHBondContact O-N 2.92Å
187	A	98.7	Very high	95.4	Very high	8 Å²	8	52.5 Å²	52.5	7%	0.066	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-36.1	175.9	0	0	0	0	0	112	P169 I171 R183 M184 A185 Y191 V197	P169-A187 HydrophobicContact CB-CB 4.08Å; P169-A187 HydrophobicContact CG-CB 4.19Å; I171-A187 HydrophobicContact CG2-CB 3.6Å; R183-A187 WeakPolarHBondContact O-CB 3.5Å; R183-A187 PolarHBondContact O-N 3.23Å; M184-A187 PolarHBondContact O-N 2.81Å; A185-A187 PolarHBondContact O-N 3.04Å; A187-Y191 VanDerWaalsContact O-CD2 3.29Å; A187-Y191 WeakPolarHBondContact O-CD2 3.4Å; A187-Y191 PolarHBondContact O-N 3.4Å; A187-Y191 VanDerWaalsContact O-N 3.12Å; A187-V197 HydrophobicContact CB-CG1 4.28Å; A187-V197 HydrophobicContact CB-CG2 4.3Å
188	M	98.6	Very high	96.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-46.2	174.2	-68.5	166.8	71.3	0	0	110.6	N110 A111 M114 R115 M184 A185 R186 Y191 P192 V197 W207	N110-M188 HydrophobicContact CB-CE 4.41Å; N110-M188 HydrophobicContact CB-SD 3.85Å; A111-M188 HydrophobicContact CB-CE 4.48Å; M114-M188 HydrophobicContact CB-CE 4.02Å; M114-M188 HydrophobicContact CE-CB 4.35Å; M114-M188 HydrophobicContact SD-CE 4.22Å; M114-M188 HydrophobicContact SD-SD 4.18Å; R115-M188 HydrophobicContact CB-CE 4.42Å; R115-M188 HydrophobicContact CG-CE 3.45Å; R115-M188 VanDerWaalsContact CG-CE 3.45Å; R115-M188 PolarHBondContact NH2-O 3.47Å; M184-M188 HydrophobicContact CE-SD 3.99Å; M184-M188 HydrophobicContact CG-SD 3.98Å; M184-M188 VanDerWaalsContact O-CG 3.23Å; M184-M188 WeakPolarHBondContact O-CG 3.36Å; M184-M188 PolarHBondContact O-N 3.19Å; A185-M188 WeakPolarHBondContact O-CB 3.14Å; A185-M188 PolarHBondContact O-N 2.75Å; A185-M188 VanDerWaalsContact O-N 3.15Å; R186-M188 VanDerWaalsContact C-N 3.27Å; R186-M188 PolarHBondContact O-N 2.99Å; M188-Y191 CarbonylContact O-C 3.6Å; M188-Y191 PolarHBondContact O-N 3.4Å; M188-P192 WeakPolarHBondContact O-CA 3.42Å; M188-V197 HydrophobicContact CG-CG2 4.16Å; M188-W207 HydrophobicContact CE-CH2 4.13Å; M188-W207 HydrophobicContact CE-CZ2 3.94Å; M188-W207 HydrophobicContact CG-CH2 3.64Å; M188-W207 HydrophobicContact CG-CZ2 4.04Å; M188-W207 HydrophobicContact CG-CZ3 4.44Å; M188-W207 HydrophobicContact SD-CH2 4.14Å; M188-W207 HydrophobicContact SD-CZ3 4.47Å
189	E	98.4	Very high	97.3	Very high	124 Å²	124	41.4 Å²	41.4	58%	0.579	20%	0.198	S	C	*	.	H	α-helix	trans	-60.5	-45.6	178.1	-71.3	169.9	177.7	0	0	113.2	M114 A185 R186 Y191	M114-E189 HydrophobicContact CE-CG 3.73Å; A185-E189 WeakPolarHBondContact O-CG 3.46Å; A185-E189 PolarHBondContact O-N 2.94Å; R186-E189 PolarHBondContact O-N 2.91Å; E189-Y191 VanDerWaalsContact C-N 3.29Å; E189-Y191 PolarHBondContact O-N 3.27Å
190	E	98.6	Very high	98	Very high	130 Å²	130	39.1 Å²	39.1	61%	0.607	18%	0.184	S	C	*	.	H	α-helix	trans	-67.9	-28.8	179.1	-73.1	-177.1	-157	0	0	112.9	R186 P192	R186-E190 PolarHBondContact O-N 2.92Å; E190-P192 VanDerWaalsContact C-CD 3.49Å; E190-P192 WeakPolarHBondContact O-CD 3.04Å
191	Y	98.6	Very high	98.3	Very high	34 Å²	34	47 Å²	47	13%	0.133	21%	0.213	C	C	.	.			trans	-124.6	69.6	-177.8	-58	-99.7	0	0	0	109.9	K138 E139 V167 P169 A187 M188 E189 D193 S194	K138-Y191 WeakPolarHBondContact CE-OH 3.17Å; K138-Y191 PolarHBondContact NZ-OH 3.44Å; E139-Y191 HydrophobicContact CG-CE1 3.91Å; E139-Y191 PolarHBondContact OE1-OH 3.37Å; E139-Y191 VanDerWaalsContact OE1-OH 3.04Å; V167-Y191 HydrophobicContact CG1-CD1 4.14Å; V167-Y191 HydrophobicContact CG1-CE1 3.91Å; P169-Y191 HydrophobicContact CB-CD1 4.49Å; P169-Y191 HydrophobicContact CB-CD2 3.59Å; P169-Y191 HydrophobicContact CB-CE2 3.75Å; P169-Y191 HydrophobicContact CB-CG 3.99Å; P169-Y191 HydrophobicContact CG-CD2 3.97Å; P169-Y191 HydrophobicContact CG-CG 4.03Å; A187-Y191 VanDerWaalsContact O-CD2 3.29Å; A187-Y191 WeakPolarHBondContact O-CD2 3.4Å; A187-Y191 PolarHBondContact O-N 3.4Å; A187-Y191 VanDerWaalsContact O-N 3.12Å; M188-Y191 CarbonylContact O-C 3.6Å; M188-Y191 PolarHBondContact O-N 3.4Å; E189-Y191 VanDerWaalsContact C-N 3.29Å; E189-Y191 PolarHBondContact O-N 3.27Å; Y191-D193 PolarHBondContact O-N 3.48Å; Y191-D193 VanDerWaalsContact O-N 3.16Å; Y191-S194 WeakPolarHBondContact O-CB 3.38Å; Y191-S194 PolarHBondContact O-N 3Å
192	P	98.3	Very high	98.4	Very high	57 Å²	57	46.1 Å²	46.1	37%	0.37	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.4	-169.3	29.9	-38.1	0	0	0	113.2	T155 M188 E190	T155-P192 HydrophobicContact CG2-CB 3.62Å; T155-P192 HydrophobicContact CG2-CG 4.12Å; M188-P192 WeakPolarHBondContact O-CA 3.42Å; E190-P192 VanDerWaalsContact C-CD 3.49Å; E190-P192 WeakPolarHBondContact O-CD 3.04Å
193	D	98.3	Very high	98.5	Very high	50 Å²	50	43 Å²	43	27%	0.267	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.6	174.4	-80.6	-31.6	0	0	0	114.4	K153 G154 T155 Y191	K153-D193 HydrophobicContact CB-CB 4.4Å; G154-D193 PolarHBondContact N-O 3.41Å; T155-D193 VanDerWaalsContact CB-OD1 3.3Å; T155-D193 WeakPolarHBondContact CB-OD1 3.38Å; T155-D193 WeakPolarHBondContact CG2-OD1 3.35Å; T155-D193 PolarHBondContact N-OD1 3.04Å; T155-D193 PolarHBondContact OG1-OD1 2.73Å; Y191-D193 PolarHBondContact O-N 3.48Å; Y191-D193 VanDerWaalsContact O-N 3.16Å
194	S	98.5	Very high	98.5	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	18%	0.18	C	C	.	.			trans	-72	137.8	178.7	-169.2	0	0	0	0	111	Y191 A196 W207	Y191-S194 WeakPolarHBondContact O-CB 3.38Å; Y191-S194 PolarHBondContact O-N 3Å; S194-A196 PolarHBondContact OG-N 2.97Å; S194-A196 VanDerWaalsContact OG-N 3.12Å; S194-A196 PolarHBondContact OG-O 3.33Å; S194-W207 WeakPolarHBondContact O-CZ2 3.34Å
195	C	98.7	Very high	98.6	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.054	18%	0.18	C	C	.	.	S	Bend	trans	-101.5	9.7	167.3	-68.6	0	0	0	0	112.4	R152 V206 W207 M217 Y221	R152-C195 PolarHBondContact O-SG 3.05Å; R152-C195 VanDerWaalsContact O-SG 3.37Å; C195-V206 WeakPolarHBondContact O-CA 3.36Å; C195-W207 PolarHBondContact O-N 3.5Å; C195-M217 HydrophobicContact CB-CE 3.92Å; C195-M217 HydrophobicContact CB-SD 3.83Å; C195-Y221 HydrophobicContact CB-CE2 4.42Å; C195-Y221 PolarHBondContact N-OH 3.27Å
196	A	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155	178.6	0	0	0	0	0	114	V168 S194 V204 Y205 V206 Y221	V168-A196 HydrophobicContact CG1-CB 4.01Å; S194-A196 PolarHBondContact OG-N 2.97Å; S194-A196 VanDerWaalsContact OG-N 3.12Å; S194-A196 PolarHBondContact OG-O 3.33Å; A196-V204 HydrophobicContact CB-CG2 4.09Å; A196-Y205 CarbonylContact C-O 3.44Å; A196-Y205 WeakPolarHBondContact CA-O 3.21Å; A196-Y205 WeakPolarHBondContact CB-O 3.45Å; A196-V206 HydrophobicContact CB-CG2 4.01Å; A196-Y221 HydrophobicContact CB-CD1 4.46Å; A196-Y221 HydrophobicContact CB-CD2 3.87Å; A196-Y221 HydrophobicContact CB-CE1 4.13Å; A196-Y221 HydrophobicContact CB-CE2 3.48Å; A196-Y221 VanDerWaalsContact CB-CE2 3.48Å; A196-Y221 HydrophobicContact CB-CG 4.35Å
197	V	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.9	166.3	-179.6	0	0	0	0	108.7	P169 I171 M184 A187 M188 V204 Y205 W207	P169-V197 HydrophobicContact CG-CG2 4.17Å; I171-V197 HydrophobicContact CD1-CG1 3.98Å; I171-V197 HydrophobicContact CG1-CG1 3.89Å; I171-V197 HydrophobicContact CG2-CG1 3.97Å; M184-V197 HydrophobicContact CG-CB 4.44Å; M184-V197 HydrophobicContact CG-CG2 4.15Å; A187-V197 HydrophobicContact CB-CG1 4.28Å; A187-V197 HydrophobicContact CB-CG2 4.3Å; M188-V197 HydrophobicContact CG-CG2 4.16Å; V197-V204 WeakPolarHBondContact O-CA 3.18Å; V197-V204 WeakPolarHBondContact O-CG2 3.2Å; V197-Y205 PolarHBondContact N-O 3.28Å; V197-Y205 PolarHBondContact O-N 2.97Å; V197-W207 HydrophobicContact CG2-CH2 3.79Å; V197-W207 HydrophobicContact CG2-CZ3 3.98Å
198	L	98.9	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.7	169.9	-81.8	164.4	0	0	0	109.7	A128 T131 T132 F140 V168 P169 I170 I171 V204 F225	A128-L198 HydrophobicContact CB-CD2 3.8Å; T131-L198 HydrophobicContact CG2-CD1 4.11Å; T132-L198 HydrophobicContact CG2-CB 3.87Å; T132-L198 HydrophobicContact CG2-CD1 4.4Å; T132-L198 HydrophobicContact CG2-CD2 3.87Å; T132-L198 HydrophobicContact CG2-CG 4.28Å; F140-L198 HydrophobicContact CB-CD1 3.67Å; F140-L198 HydrophobicContact CG-CD1 4.26Å; V168-L198 HydrophobicContact CB-CD1 4.39Å; V168-L198 HydrophobicContact CG1-CD1 4.09Å; V168-L198 HydrophobicContact CG1-CG 4.04Å; P169-L198 PolarHBondContact O-N 3.02Å; I170-L198 CarbonylContact C-O 3.6Å; I170-L198 WeakPolarHBondContact CA-O 3.33Å; I170-L198 HydrophobicContact CB-CB 4.33Å; I170-L198 HydrophobicContact CD1-CD1 4.46Å; I170-L198 HydrophobicContact CG1-CB 3.91Å; I170-L198 HydrophobicContact CG1-CD1 3.95Å; I170-L198 HydrophobicContact CG2-CB 4.3Å; I171-L198 PolarHBondContact N-O 3.45Å; L198-V204 HydrophobicContact CD2-CB 3.97Å; L198-V204 HydrophobicContact CD2-CG2 4.15Å; L198-V204 HydrophobicContact CG-CG2 4.34Å; L198-F225 HydrophobicContact CD1-CD1 4.43Å; L198-F225 HydrophobicContact CD1-CE1 3.8Å; L198-F225 HydrophobicContact CD1-CZ 3.96Å; L198-F225 HydrophobicContact CD2-CD2 4.36Å; L198-F225 HydrophobicContact CD2-CE1 4.34Å; L198-F225 HydrophobicContact CD2-CE2 3.83Å; L198-F225 HydrophobicContact CD2-CZ 3.82Å; L198-F225 HydrophobicContact CG-CE1 4.28Å; L198-F225 HydrophobicContact CG-CE2 4.41Å; L198-F225 HydrophobicContact CG-CZ 3.91Å
199	V	98.7	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.6	175.1	-173.1	0	0	0	0	108.2	I171 N173 L180 R201 H202 G203 Y205	I171-V199 HydrophobicContact CD1-CG2 4.05Å; I171-V199 HydrophobicContact CG1-CB 4.37Å; I171-V199 HydrophobicContact CG1-CG1 4.32Å; I171-V199 HydrophobicContact CG1-CG2 3.95Å; N173-V199 HydrophobicContact CB-CG1 3.93Å; L180-V199 HydrophobicContact CD1-CG1 3.84Å; V199-R201 PolarHBondContact O-N 3.15Å; V199-H202 HydrophobicContact CB-CB 3.9Å; V199-H202 HydrophobicContact CG1-CB 3.66Å; V199-H202 WeakPolarHBondContact O-CB 3.41Å; V199-H202 PolarHBondContact O-N 3.26Å; V199-G203 PolarHBondContact N-O 3.2Å; V199-G203 PolarHBondContact O-N 3Å; V199-Y205 HydrophobicContact CG2-CD2 4.08Å; V199-Y205 HydrophobicContact CG2-CE2 4.24Å
200	R	98.7	Very high	98.5	Very high	22 Å²	22	30.9 Å²	30.9	8%	0.083	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	131.9	-171	-170.3	165.8	-22.7	-103	4.4	112	T132 Y135 G137 I170 I171 E172 N173 H202	T132-R200 PolarHBondContact O-NH1 3.37Å; T132-R200 WeakPolarHBondContact OG1-CA 3.32Å; Y135-R200 PolarHBondContact O-NH1 3.31Å; G137-R200 PolarHBondContact O-NH1 2.86Å; G137-R200 PolarHBondContact O-NH2 2.88Å; I170-R200 HydrophobicContact CG2-CB 4.08Å; I171-R200 PolarHBondContact O-N 3.36Å; E172-R200 IonicContact OE1-CZ 3.44Å; E172-R200 VanDerWaalsContact OE1-CZ 3.23Å; E172-R200 IonicContact OE1-NE 3.58Å; E172-R200 PolarHBondContact OE1-NE 3.18Å; E172-R200 IonicContact OE1-NH2 2.88Å; E172-R200 PolarHBondContact OE1-NH2 2.72Å; E172-R200 IonicContact OE2-NE 2.98Å; E172-R200 PolarHBondContact OE2-NE 3.49Å; N173-R200 VanDerWaalsContact CB-O 3.24Å; N173-R200 WeakPolarHBondContact CB-O 3.35Å; R200-H202 PolarHBondContact O-N 3.19Å
201	R	98	Very high	98.5	Very high	175 Å²	175	27.5 Å²	27.5	66%	0.66	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	23.9	-177	-61.9	166.4	-180	-79.1	-1.6	114.1	T132 L133 V199	T132-R201 PolarHBondContact OG1-N 3.22Å; T132-R201 VanDerWaalsContact OG1-N 3.1Å; L133-R201 HydrophobicContact CD2-CG 3.74Å; V199-R201 PolarHBondContact O-N 3.15Å
202	H	97.9	Very high	98.5	Very high	39 Å²	39	29.4 Å²	29.4	18%	0.181	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-60.6	-177.1	-172.7	167.1	0	0	0	111.3	H122 H124 N173 V199 R200	H122-H202 AromaticContact CE1-CD2 3.94Å; H122-H202 AromaticContact CE1-NE2 3.77Å; H122-H202 AromaticContact NE2-CD2 3.94Å; H122-H202 AromaticContact NE2-NE2 3.37Å; H122-H202 PolarHBondContact NE2-NE2 3.18Å; H124-H202 AromaticContact CD2-CD2 3.9Å; H124-H202 AromaticContact CE1-CD2 3.95Å; H124-H202 AromaticContact CE1-NE2 3.83Å; H124-H202 AromaticContact NE2-CD2 3.6Å; H124-H202 AromaticContact NE2-NE2 3.36Å; H124-H202 PolarHBondContact NE2-NE2 3.12Å; N173-H202 HydrophobicContact CB-CB 4.44Å; N173-H202 PolarHBondContact OD1-ND1 3.45Å; N173-H202 VanDerWaalsContact OD1-ND1 3.08Å; V199-H202 HydrophobicContact CB-CB 3.9Å; V199-H202 HydrophobicContact CG1-CB 3.66Å; V199-H202 WeakPolarHBondContact O-CB 3.41Å; V199-H202 PolarHBondContact O-N 3.26Å; R200-H202 PolarHBondContact O-N 3.19Å
203	G	98.4	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-148	-172.9	0	0	0	0	0	113.8	T123 V199	T123-G203 WeakPolarHBondContact O-CA 3.37Å; V199-G203 PolarHBondContact N-O 3.2Å; V199-G203 PolarHBondContact O-N 3Å
204	V	98.9	Very high	98.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.9	-179.9	65.9	0	0	0	0	111.2	H122 T123 A128 A196 V197 L198 V206 F225	H122-V204 WeakPolarHBondContact CA-O 3.1Å; H122-V204 PolarHBondContact ND1-O 3.13Å; T123-V204 PolarHBondContact N-O 3.42Å; T123-V204 PolarHBondContact O-N 3.03Å; T123-V204 WeakPolarHBondContact OG1-CG1 2.98Å; A128-V204 HydrophobicContact CB-CB 4.21Å; A128-V204 HydrophobicContact CB-CG1 4.19Å; A196-V204 HydrophobicContact CB-CG2 4.09Å; V197-V204 WeakPolarHBondContact O-CA 3.18Å; V197-V204 WeakPolarHBondContact O-CG2 3.2Å; L198-V204 HydrophobicContact CD2-CB 3.97Å; L198-V204 HydrophobicContact CD2-CG2 4.15Å; L198-V204 HydrophobicContact CG-CG2 4.34Å; V204-V206 HydrophobicContact CG1-CG2 4.25Å; V204-V206 HydrophobicContact CG2-CG2 3.93Å; V204-F225 HydrophobicContact CB-CE2 4.27Å; V204-F225 HydrophobicContact CG1-CE2 4.29Å; V204-F225 HydrophobicContact CG2-CE2 4.08Å; V204-F225 HydrophobicContact CG2-CZ 4.25Å
205	Y	98.9	Very high	98.5	Very high	4 Å²	4	30 Å²	30	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.7	164.3	-75.5	-98.4	0	0	0	108.9	C104 L107 F108 V120 I121 H122 M184 A196 V197 V199	C104-Y205 HydrophobicContact CB-CE1 4.27Å; C104-Y205 PolarHBondContact SG-OH 3.08Å; L107-Y205 HydrophobicContact CB-CD1 4.16Å; L107-Y205 HydrophobicContact CB-CE1 3.58Å; L107-Y205 HydrophobicContact CD2-CD2 4.14Å; L107-Y205 HydrophobicContact CD2-CE1 4.01Å; L107-Y205 HydrophobicContact CD2-CE2 3.44Å; L107-Y205 VanDerWaalsContact CD2-CE2 3.44Å; L107-Y205 HydrophobicContact CG-CE1 4.42Å; F108-Y205 HydrophobicContact CD1-CD1 4.03Å; F108-Y205 AromaticContact CD1-CE1 3.91Å; F108-Y205 HydrophobicContact CD1-CE1 3.91Å; F108-Y205 AromaticContact CE1-CD1 3.95Å; F108-Y205 HydrophobicContact CE1-CD1 3.95Å; F108-Y205 AromaticContact CE1-CE1 3.72Å; F108-Y205 HydrophobicContact CE1-CE1 3.72Å; V120-Y205 HydrophobicContact CG1-CD1 4.49Å; I121-Y205 CarbonylContact O-C 3.57Å; I121-Y205 WeakPolarHBondContact O-CA 3.13Å; H122-Y205 HydrophobicContact CB-CD1 3.89Å; H122-Y205 HydrophobicContact CB-CE1 3.62Å; H122-Y205 HydrophobicContact CB-CG 4.45Å; H122-Y205 AromaticContact CD2-CZ 3.61Å; H122-Y205 PolarHBondContact CD2-OH 3.43Å; H122-Y205 VanDerWaalsContact CD2-OH 3.27Å; H122-Y205 AromaticContact CE1-CE2 3.43Å; H122-Y205 VanDerWaalsContact CE1-CE2 3.43Å; H122-Y205 WeakPolarHBondContact CE1-CE2 3.43Å; H122-Y205 AromaticContact CE1-CZ 3.75Å; H122-Y205 AromaticContact CG-CE1 3.66Å; H122-Y205 AromaticContact CG-CE2 3.78Å; H122-Y205 AromaticContact CG-CZ 3.41Å; H122-Y205 VanDerWaalsContact CG-CZ 3.41Å; H122-Y205 AromaticContact ND1-CD2 3.65Å; H122-Y205 AromaticContact ND1-CE2 3.32Å; H122-Y205 VanDerWaalsContact ND1-CE2 3.32Å; H122-Y205 WeakPolarHBondContact ND1-CE2 3.42Å; H122-Y205 AromaticContact ND1-CZ 3.51Å; H122-Y205 AromaticContact NE2-CE2 3.9Å; H122-Y205 AromaticContact NE2-CZ 3.79Å; H122-Y205 PolarHBondContact NE2-OH 2.92Å; M184-Y205 HydrophobicContact CE-CD1 4.29Å; M184-Y205 HydrophobicContact CE-CG 4.02Å; M184-Y205 HydrophobicContact SD-CG 4.23Å; A196-Y205 CarbonylContact C-O 3.44Å; A196-Y205 WeakPolarHBondContact CA-O 3.21Å; A196-Y205 WeakPolarHBondContact CB-O 3.45Å; V197-Y205 PolarHBondContact N-O 3.28Å; V197-Y205 PolarHBondContact O-N 2.97Å; V199-Y205 HydrophobicContact CG2-CD2 4.08Å; V199-Y205 HydrophobicContact CG2-CE2 4.24Å
206	V	98.9	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.3	179.5	-174.5	0	0	0	0	109	V120 I121 C195 A196 V204 M217 C218 Y221	V120-V206 CarbonylContact C-O 3.2Å; V120-V206 WeakPolarHBondContact CA-O 3.4Å; I121-V206 PolarHBondContact N-O 2.81Å; I121-V206 PolarHBondContact O-N 3.41Å; C195-V206 WeakPolarHBondContact O-CA 3.36Å; A196-V206 HydrophobicContact CB-CG2 4.01Å; V204-V206 HydrophobicContact CG1-CG2 4.25Å; V204-V206 HydrophobicContact CG2-CG2 3.93Å; V206-M217 HydrophobicContact CG1-CB 4.07Å; V206-C218 HydrophobicContact CB-CB 4.21Å; V206-C218 HydrophobicContact CG1-CB 4.19Å; V206-C218 HydrophobicContact CG2-CB 4.21Å; V206-Y221 HydrophobicContact CG1-CD2 3.88Å; V206-Y221 HydrophobicContact CG1-CE2 4.01Å; V206-Y221 HydrophobicContact CG2-CD2 3.98Å
207	W	98.8	Very high	98.5	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.027	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158.1	179.5	58	86.2	0	0	0	112.4	A111 R115 A117 A119 V120 M184 M188 S194 C195 V197 M217	A111-W207 HydrophobicContact CB-CB 3.71Å; A111-W207 HydrophobicContact CB-CD2 3.93Å; A111-W207 HydrophobicContact CB-CE3 4.11Å; A111-W207 HydrophobicContact CB-CG 3.77Å; R115-W207 HydrophobicContact CG-CZ2 4.29Å; A117-W207 HydrophobicContact CB-CB 3.89Å; A117-W207 HydrophobicContact CB-CG 4.43Å; A119-W207 WeakPolarHBondContact O-CA 3.43Å; V120-W207 HydrophobicContact CB-CB 4.49Å; V120-W207 HydrophobicContact CG1-CB 4.19Å; V120-W207 HydrophobicContact CG2-CB 4.12Å; M184-W207 HydrophobicContact CE-CE3 4.11Å; M184-W207 HydrophobicContact CE-CZ3 3.69Å; M188-W207 HydrophobicContact CE-CH2 4.13Å; M188-W207 HydrophobicContact CE-CZ2 3.94Å; M188-W207 HydrophobicContact CG-CH2 3.64Å; M188-W207 HydrophobicContact CG-CZ2 4.04Å; M188-W207 HydrophobicContact CG-CZ3 4.44Å; M188-W207 HydrophobicContact SD-CH2 4.14Å; M188-W207 HydrophobicContact SD-CZ3 4.47Å; S194-W207 WeakPolarHBondContact O-CZ2 3.34Å; C195-W207 PolarHBondContact O-N 3.5Å; V197-W207 HydrophobicContact CG2-CH2 3.79Å; V197-W207 HydrophobicContact CG2-CZ3 3.98Å; W207-M217 WeakPolarHBondContact O-CE 3.09Å
208	G	98.2	Very high	98.5	Very high	5 Å²	5	32.9 Å²	32.9	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.5	179.5	0	0	0	0	0	113.3	Q118 A119 S210	Q118-G208 PolarHBondContact N-O 3.29Å; A119-G208 PolarHBondContact N-O 3.28Å; A119-G208 PolarHBondContact O-N 2.5Å; A119-G208 VanDerWaalsContact O-N 3.07Å; G208-S210 PolarHBondContact O-N 3.12Å
209	E	97.1	Very high	98.5	Very high	84 Å²	84	36 Å²	36	39%	0.393	16%	0.164	S	C	.	.	S	Bend	trans	-72.5	-0.4	176.7	65.1	-166.8	171.1	0	0	113.4	Q118 R152 K213	Q118-E209 WeakPolarHBondContact CB-O 3.32Å; Q118-E209 WeakPolarHBondContact CG-O 3.21Å; R152-E209 IonicContact CZ-OE1 3.5Å; R152-E209 IonicContact CZ-OE2 3.18Å; R152-E209 IonicContact NE-OE1 2.89Å; R152-E209 PolarHBondContact NE-OE1 3.12Å; R152-E209 IonicContact NE-OE2 2.88Å; R152-E209 IonicContact NH1-OE1 3.79Å; R152-E209 IonicContact NH2-OE1 3.87Å; R152-E209 PolarHBondContact NH2-OE1 2.96Å; R152-E209 VanDerWaalsContact NH2-OE1 3.13Å; R152-E209 IonicContact NH2-OE2 3.79Å; R152-E209 PolarHBondContact NH2-OE2 3.14Å; E209-K213 HydrophobicContact CG-CD 3.4Å; E209-K213 VanDerWaalsContact CG-CD 3.4Å; E209-K213 WeakPolarHBondContact OE1-CD 3.4Å; E209-K213 VanDerWaalsContact OE1-CE 3.25Å; E209-K213 WeakPolarHBondContact OE1-CE 3.36Å; E209-K213 IonicContact OE1-NZ 3.13Å; E209-K213 PolarHBondContact OE1-NZ 3.47Å
210	S	98	Very high	98.5	Very high	27 Å²	27	36.6 Å²	36.6	19%	0.189	17%	0.168	C	C	.	.	S	Bend	trans	-160.5	163.8	173	58.5	0	0	0	0	108.7	G208 E212 K213 A214	G208-S210 PolarHBondContact O-N 3.12Å; S210-E212 VanDerWaalsContact C-N 3.28Å; S210-E212 VanDerWaalsContact CB-OE2 3.24Å; S210-E212 WeakPolarHBondContact CB-OE2 3.27Å; S210-E212 PolarHBondContact O-N 3.37Å; S210-E212 PolarHBondContact OG-OE2 3.14Å; S210-K213 PolarHBondContact O-N 3.26Å; S210-K213 WeakPolarHBondContact OG-CB 3.42Å; S210-K213 WeakPolarHBondContact OG-CD 3.14Å; S210-K213 VanDerWaalsContact OG-CG 3.31Å; S210-K213 WeakPolarHBondContact OG-CG 3.44Å; S210-K213 PolarHBondContact OG-N 2.94Å; S210-A214 WeakPolarHBondContact O-CB 3.48Å; S210-A214 PolarHBondContact O-N 3.41Å
211	W	98.6	Very high	98.6	Very high	59 Å²	59	35.6 Å²	35.6	22%	0.223	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-34.1	177.9	71.6	-93.4	0	0	0	111.6	L34 L38 L57 A119 A214 K215	L34-W211 HydrophobicContact CD1-CZ2 4.48Å; L34-W211 HydrophobicContact CD2-CD2 3.78Å; L34-W211 HydrophobicContact CD2-CG 3.82Å; L34-W211 HydrophobicContact CD2-CZ2 4.28Å; L38-W211 HydrophobicContact CD1-CD2 4.43Å; L38-W211 HydrophobicContact CD1-CE3 3.79Å; L38-W211 HydrophobicContact CD1-CZ3 4.32Å; L38-W211 HydrophobicContact CD2-CE3 4.34Å; L38-W211 HydrophobicContact CD2-CZ3 4.09Å; L57-W211 HydrophobicContact CD1-CB 4.27Å; L57-W211 HydrophobicContact CD2-CB 4.08Å; L57-W211 HydrophobicContact CD2-CG 4.4Å; L57-W211 HydrophobicContact CG-CB 4.11Å; A119-W211 VanDerWaalsContact CB-CA 3.45Å; A119-W211 HydrophobicContact CB-CB 3.85Å; W211-A214 PolarHBondContact O-N 3.41Å; W211-K215 HydrophobicContact CE3-CD 4.45Å; W211-K215 HydrophobicContact CZ3-CD 4.1Å; W211-K215 WeakPolarHBondContact O-CB 3.25Å; W211-K215 PolarHBondContact O-N 3.28Å
212	E	98.6	Very high	98.6	Very high	75 Å²	75	28.7 Å²	28.7	35%	0.35	14%	0.14	S	C	.	.	H	α-helix	trans	-60.5	-51.6	176	-60.6	88.1	154.8	0	0	109.6	S210 K215 T216	S210-E212 VanDerWaalsContact C-N 3.28Å; S210-E212 VanDerWaalsContact CB-OE2 3.24Å; S210-E212 WeakPolarHBondContact CB-OE2 3.27Å; S210-E212 PolarHBondContact O-N 3.37Å; S210-E212 PolarHBondContact OG-OE2 3.14Å; E212-K215 PolarHBondContact O-N 2.99Å; E212-T216 WeakPolarHBondContact O-CG2 3.29Å; E212-T216 PolarHBondContact O-N 3.15Å; E212-T216 PolarHBondContact O-OG1 3.15Å
213	K	98.4	Very high	98.6	Very high	87 Å²	87	32 Å²	32	38%	0.378	15%	0.152	S	C	.	.	H	α-helix	trans	-67.7	-40.1	-178.6	-71.2	173.2	179.7	169.5	0	112.4	E209 S210 K215 T216 M217	E209-K213 HydrophobicContact CG-CD 3.4Å; E209-K213 VanDerWaalsContact CG-CD 3.4Å; E209-K213 WeakPolarHBondContact OE1-CD 3.4Å; E209-K213 VanDerWaalsContact OE1-CE 3.25Å; E209-K213 WeakPolarHBondContact OE1-CE 3.36Å; E209-K213 IonicContact OE1-NZ 3.13Å; E209-K213 PolarHBondContact OE1-NZ 3.47Å; S210-K213 PolarHBondContact O-N 3.26Å; S210-K213 WeakPolarHBondContact OG-CB 3.42Å; S210-K213 WeakPolarHBondContact OG-CD 3.14Å; S210-K213 VanDerWaalsContact OG-CG 3.31Å; S210-K213 WeakPolarHBondContact OG-CG 3.44Å; S210-K213 PolarHBondContact OG-N 2.94Å; K213-K215 VanDerWaalsContact C-N 3.3Å; K213-K215 PolarHBondContact O-N 3.49Å; K213-T216 PolarHBondContact O-OG1 2.88Å; K213-M217 VanDerWaalsContact O-CB 3.3Å; K213-M217 WeakPolarHBondContact O-CB 3.36Å; K213-M217 WeakPolarHBondContact O-CE 3.47Å; K213-M217 VanDerWaalsContact O-CG 3.29Å; K213-M217 WeakPolarHBondContact O-CG 3.46Å; K213-M217 PolarHBondContact O-N 2.81Å
214	A	98.8	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-44.6	174	0	0	0	0	0	110.7	A119 I121 S210 W211 C218	A119-A214 HydrophobicContact CB-CB 3.96Å; I121-A214 HydrophobicContact CD1-CB 4.18Å; I121-A214 HydrophobicContact CG1-CB 4.48Å; S210-A214 WeakPolarHBondContact O-CB 3.48Å; S210-A214 PolarHBondContact O-N 3.41Å; W211-A214 PolarHBondContact O-N 3.41Å; A214-C218 VanDerWaalsContact O-CB 3.25Å; A214-C218 WeakPolarHBondContact O-CB 3.18Å; A214-C218 PolarHBondContact O-N 3.06Å
215	K	98.8	Very high	98.7	Very high	35 Å²	35	31.9 Å²	31.9	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-51.5	178.3	179.2	179.8	177.3	-67.2	0	112.3	L38 F42 I121 W211 E212 K213 M217 C218 E219	L38-K215 HydrophobicContact CD2-CD 3.89Å; F42-K215 HydrophobicContact CE1-CD 4.18Å; F42-K215 HydrophobicContact CE1-CG 4.07Å; F42-K215 HydrophobicContact CZ-CD 4.36Å; F42-K215 HydrophobicContact CZ-CG 4.22Å; I121-K215 VanDerWaalsContact CD1-CA 3.49Å; I121-K215 HydrophobicContact CD1-CB 4.04Å; W211-K215 HydrophobicContact CE3-CD 4.45Å; W211-K215 HydrophobicContact CZ3-CD 4.1Å; W211-K215 WeakPolarHBondContact O-CB 3.25Å; W211-K215 PolarHBondContact O-N 3.28Å; E212-K215 PolarHBondContact O-N 2.99Å; K213-K215 VanDerWaalsContact C-N 3.3Å; K213-K215 PolarHBondContact O-N 3.49Å; K215-M217 VanDerWaalsContact C-N 3.31Å; K215-M217 PolarHBondContact O-N 2.86Å; K215-C218 WeakPolarHBondContact O-CA 3.44Å; K215-C218 WeakPolarHBondContact O-CB 3.31Å; K215-C218 PolarHBondContact O-N 3.04Å; K215-C218 VanDerWaalsContact O-N 3.07Å; K215-E219 IonicContact NZ-OE1 3.8Å; K215-E219 PolarHBondContact NZ-OE1 3.36Å; K215-E219 IonicContact NZ-OE2 2.7Å; K215-E219 WeakPolarHBondContact O-CG 3.45Å; K215-E219 PolarHBondContact O-N 2.88Å
216	T	98.8	Very high	98.7	Very high	63 Å²	63	35 Å²	35	39%	0.387	17%	0.168	S	C	.	.	H	α-helix	trans	-64.7	-37	-178.6	57.2	0	0	0	0	111.8	E212 K213 E219 C220	E212-T216 WeakPolarHBondContact O-CG2 3.29Å; E212-T216 PolarHBondContact O-N 3.15Å; E212-T216 PolarHBondContact O-OG1 3.15Å; K213-T216 PolarHBondContact O-OG1 2.88Å; T216-E219 PolarHBondContact O-N 3.38Å; T216-C220 PolarHBondContact O-N 3.08Å; T216-C220 PolarHBondContact O-SG 2.82Å
217	M	98.9	Very high	98.7	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-40.3	171.7	-73.3	-169.8	-64.8	0	0	111.4	G150 I151 R152 C195 V206 W207 K213 K215 E219 C220 Y221	G150-M217 WeakPolarHBondContact O-CG 3.24Å; I151-M217 HydrophobicContact CD1-CB 4.3Å; I151-M217 HydrophobicContact CD1-CG 4.39Å; R152-M217 HydrophobicContact CB-SD 3.71Å; R152-M217 PolarHBondContact N-SD 2.83Å; C195-M217 HydrophobicContact CB-CE 3.92Å; C195-M217 HydrophobicContact CB-SD 3.83Å; V206-M217 HydrophobicContact CG1-CB 4.07Å; W207-M217 WeakPolarHBondContact O-CE 3.09Å; K213-M217 VanDerWaalsContact O-CB 3.3Å; K213-M217 WeakPolarHBondContact O-CB 3.36Å; K213-M217 WeakPolarHBondContact O-CE 3.47Å; K213-M217 VanDerWaalsContact O-CG 3.29Å; K213-M217 WeakPolarHBondContact O-CG 3.46Å; K213-M217 PolarHBondContact O-N 2.81Å; K215-M217 VanDerWaalsContact C-N 3.31Å; K215-M217 PolarHBondContact O-N 2.86Å; M217-E219 VanDerWaalsContact C-N 3.31Å; M217-E219 PolarHBondContact O-N 3.38Å; M217-C220 PolarHBondContact O-N 3.4Å; M217-Y221 HydrophobicContact CB-CD2 4.3Å; M217-Y221 HydrophobicContact CB-CE2 4.23Å; M217-Y221 WeakPolarHBondContact O-CB 3.45Å; M217-Y221 WeakPolarHBondContact O-CD2 3.3Å; M217-Y221 PolarHBondContact O-N 3.04Å
218	C	98.9	Very high	98.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-41	176	-168.6	0	0	0	0	111.7	W47 I121 V206 A214 K215 Y221 D222	W47-C218 HydrophobicContact CH2-CB 4.22Å; W47-C218 HydrophobicContact CZ3-CB 4.21Å; I121-C218 HydrophobicContact CD1-CB 4.07Å; V206-C218 HydrophobicContact CB-CB 4.21Å; V206-C218 HydrophobicContact CG1-CB 4.19Å; V206-C218 HydrophobicContact CG2-CB 4.21Å; A214-C218 VanDerWaalsContact O-CB 3.25Å; A214-C218 WeakPolarHBondContact O-CB 3.18Å; A214-C218 PolarHBondContact O-N 3.06Å; K215-C218 WeakPolarHBondContact O-CA 3.44Å; K215-C218 WeakPolarHBondContact O-CB 3.31Å; K215-C218 PolarHBondContact O-N 3.04Å; K215-C218 VanDerWaalsContact O-N 3.07Å; C218-Y221 PolarHBondContact O-N 2.81Å; C218-D222 WeakPolarHBondContact O-CB 3.49Å; C218-D222 PolarHBondContact O-N 3.15Å
219	E	98.9	Very high	98.7	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.308	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-45.8	173.2	-68	170.4	165.9	0	0	111.8	W47 K215 T216 M217 D222 Y223	W47-E219 HydrophobicContact CH2-CB 4.3Å; W47-E219 HydrophobicContact CH2-CG 3.57Å; W47-E219 HydrophobicContact CZ2-CG 4.31Å; W47-E219 HydrophobicContact CZ3-CG 4.49Å; K215-E219 IonicContact NZ-OE1 3.8Å; K215-E219 PolarHBondContact NZ-OE1 3.36Å; K215-E219 IonicContact NZ-OE2 2.7Å; K215-E219 WeakPolarHBondContact O-CG 3.45Å; K215-E219 PolarHBondContact O-N 2.88Å; T216-E219 PolarHBondContact O-N 3.38Å; M217-E219 VanDerWaalsContact C-N 3.31Å; M217-E219 PolarHBondContact O-N 3.38Å; E219-D222 PolarHBondContact O-N 3.19Å; E219-Y223 WeakPolarHBondContact O-CB 3.36Å; E219-Y223 PolarHBondContact O-N 2.99Å
220	C	98.9	Very high	98.8	Very high	13 Å²	13	36.8 Å²	36.8	9%	0.088	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-43.9	177.6	-65.7	0	0	0	0	112.1	M147 I151 T216 M217 Y223 L224	M147-C220 HydrophobicContact CE-CB 4.38Å; I151-C220 HydrophobicContact CD1-CB 3.48Å; I151-C220 VanDerWaalsContact CD1-CB 3.48Å; I151-C220 HydrophobicContact CG1-CB 4.34Å; T216-C220 PolarHBondContact O-N 3.08Å; T216-C220 PolarHBondContact O-SG 2.82Å; M217-C220 PolarHBondContact O-N 3.4Å; C220-Y223 PolarHBondContact O-N 3.48Å; C220-L224 WeakPolarHBondContact O-CB 3.19Å; C220-L224 WeakPolarHBondContact O-CD1 3.25Å; C220-L224 WeakPolarHBondContact O-CG 3.43Å; C220-L224 PolarHBondContact O-N 3.12Å
221	Y	98.9	Very high	98.8	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-48	176.3	-80	-56.1	0	0	0	111.4	I151 L166 V168 C195 A196 V206 M217 C218 Y223 L224 F225	I151-Y221 HydrophobicContact CD1-CD1 3.97Å; I151-Y221 HydrophobicContact CD1-CD2 3.89Å; I151-Y221 HydrophobicContact CD1-CE1 3.91Å; I151-Y221 HydrophobicContact CD1-CE2 3.83Å; I151-Y221 HydrophobicContact CD1-CG 3.96Å; I151-Y221 HydrophobicContact CG1-CE1 4.24Å; I151-Y221 HydrophobicContact CG2-CE1 4.1Å; I151-Y221 HydrophobicContact CG2-CE2 4.3Å; I151-Y221 VanDerWaalsContact CG2-OH 3.24Å; I151-Y221 WeakPolarHBondContact CG2-OH 3.35Å; L166-Y221 HydrophobicContact CD1-CE1 4.29Å; L166-Y221 HydrophobicContact CD2-CD1 4.35Å; L166-Y221 HydrophobicContact CD2-CE1 4.05Å; V168-Y221 HydrophobicContact CG2-CD1 3.95Å; V168-Y221 HydrophobicContact CG2-CE1 3.46Å; V168-Y221 VanDerWaalsContact CG2-CE1 3.46Å; C195-Y221 HydrophobicContact CB-CE2 4.42Å; C195-Y221 PolarHBondContact N-OH 3.27Å; A196-Y221 HydrophobicContact CB-CD1 4.46Å; A196-Y221 HydrophobicContact CB-CD2 3.87Å; A196-Y221 HydrophobicContact CB-CE1 4.13Å; A196-Y221 HydrophobicContact CB-CE2 3.48Å; A196-Y221 VanDerWaalsContact CB-CE2 3.48Å; A196-Y221 HydrophobicContact CB-CG 4.35Å; V206-Y221 HydrophobicContact CG1-CD2 3.88Å; V206-Y221 HydrophobicContact CG1-CE2 4.01Å; V206-Y221 HydrophobicContact CG2-CD2 3.98Å; M217-Y221 HydrophobicContact CB-CD2 4.3Å; M217-Y221 HydrophobicContact CB-CE2 4.23Å; M217-Y221 WeakPolarHBondContact O-CB 3.45Å; M217-Y221 WeakPolarHBondContact O-CD2 3.3Å; M217-Y221 PolarHBondContact O-N 3.04Å; C218-Y221 PolarHBondContact O-N 2.81Å; Y221-Y223 VanDerWaalsContact C-N 3.33Å; Y221-Y223 PolarHBondContact O-N 3.13Å; Y221-L224 PolarHBondContact O-N 3.46Å; Y221-L224 VanDerWaalsContact O-N 3.14Å; Y221-F225 HydrophobicContact CD1-CE1 4.36Å; Y221-F225 HydrophobicContact CD1-CZ 4.08Å; Y221-F225 HydrophobicContact CG-CZ 4.25Å; Y221-F225 WeakPolarHBondContact O-CB 3.35Å; Y221-F225 WeakPolarHBondContact O-CD1 3.46Å; Y221-F225 WeakPolarHBondContact O-CD2 3.43Å; Y221-F225 WeakPolarHBondContact O-CG 3.42Å; Y221-F225 PolarHBondContact O-N 3.36Å
222	D	98.9	Very high	98.8	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-42	180	-160.2	58.2	0	0	0	111.9	W47 S125 C218 E219 F225 D226	W47-D222 HydrophobicContact CZ2-CB 3.83Å; W47-D222 VanDerWaalsContact NE1-CG 3.35Å; W47-D222 PolarHBondContact NE1-OD2 3.3Å; S125-D222 WeakPolarHBondContact CB-OD1 3.48Å; S125-D222 PolarHBondContact OG-OD1 2.81Å; C218-D222 WeakPolarHBondContact O-CB 3.49Å; C218-D222 PolarHBondContact O-N 3.15Å; E219-D222 PolarHBondContact O-N 3.19Å; D222-F225 PolarHBondContact O-N 3.33Å; D222-D226 WeakPolarHBondContact O-CB 3.45Å; D222-D226 PolarHBondContact O-N 2.84Å
223	Y	98.9	Very high	98.7	Very high	109 Å²	109	40.9 Å²	40.9	43%	0.427	20%	0.195	S	C	.	.	H	α-helix	trans	-59.3	-47.8	171.9	179.6	-79.4	0	0	0	112	M147 E219 C220 Y221 F225 D226 I227	M147-Y223 HydrophobicContact CB-CD1 3.87Å; M147-Y223 HydrophobicContact CB-CE1 4.24Å; M147-Y223 HydrophobicContact CE-CD2 4.45Å; M147-Y223 HydrophobicContact CE-CG 4.12Å; M147-Y223 HydrophobicContact CG-CD1 3.49Å; M147-Y223 VanDerWaalsContact CG-CD1 3.49Å; M147-Y223 HydrophobicContact CG-CE1 3.6Å; M147-Y223 HydrophobicContact CG-CG 4Å; E219-Y223 WeakPolarHBondContact O-CB 3.36Å; E219-Y223 PolarHBondContact O-N 2.99Å; C220-Y223 PolarHBondContact O-N 3.48Å; Y221-Y223 VanDerWaalsContact C-N 3.33Å; Y221-Y223 PolarHBondContact O-N 3.13Å; Y223-F225 VanDerWaalsContact C-N 3.31Å; Y223-F225 PolarHBondContact O-N 3.33Å; Y223-D226 PolarHBondContact O-N 3.19Å; Y223-I227 HydrophobicContact CD1-CG2 4.35Å; Y223-I227 HydrophobicContact CE1-CB 4.18Å; Y223-I227 HydrophobicContact CE1-CG2 4.14Å; Y223-I227 PolarHBondContact O-N 3.45Å
224	L	98.9	Very high	98.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.2	-34	-177.5	-71.1	166.1	0	0	0	111.8	I142 Q145 M147 I148 I151 L166 C220 Y221 A228	I142-L224 HydrophobicContact CD1-CB 4.41Å; I142-L224 HydrophobicContact CD1-CD2 3.92Å; I142-L224 HydrophobicContact CG2-CB 4.44Å; I142-L224 HydrophobicContact CG2-CD2 4.34Å; Q145-L224 HydrophobicContact CB-CD2 3.58Å; Q145-L224 HydrophobicContact CG-CD2 4.03Å; M147-L224 HydrophobicContact CB-CD1 4.46Å; M147-L224 HydrophobicContact CB-CD2 4.04Å; M147-L224 HydrophobicContact CB-CG 4.11Å; I148-L224 HydrophobicContact CG1-CD1 4.05Å; I148-L224 HydrophobicContact CG1-CD2 3.98Å; I151-L224 HydrophobicContact CG1-CD1 4.32Å; L166-L224 HydrophobicContact CD2-CD1 3.55Å; C220-L224 WeakPolarHBondContact O-CB 3.19Å; C220-L224 WeakPolarHBondContact O-CD1 3.25Å; C220-L224 WeakPolarHBondContact O-CG 3.43Å; C220-L224 PolarHBondContact O-N 3.12Å; Y221-L224 PolarHBondContact O-N 3.46Å; Y221-L224 VanDerWaalsContact O-N 3.14Å; L224-A228 WeakPolarHBondContact O-CB 3.34Å; L224-A228 PolarHBondContact O-N 3.2Å; L224-A228 VanDerWaalsContact O-N 3.13Å
225	F	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-48.7	170.7	-61.9	-23.4	0	0	0	110.9	A127 A128 T131 F140 V168 L198 V204 Y221 D222 Y223 A228 V229	A127-F225 HydrophobicContact CB-CB 4.06Å; A128-F225 HydrophobicContact CB-CD2 3.93Å; A128-F225 HydrophobicContact CB-CE2 4.22Å; T131-F225 HydrophobicContact CG2-CD1 4.04Å; T131-F225 HydrophobicContact CG2-CG 4.48Å; T131-F225 WeakPolarHBondContact OG1-CA 3.44Å; T131-F225 VanDerWaalsContact OG1-CB 3.29Å; T131-F225 WeakPolarHBondContact OG1-CB 3.22Å; T131-F225 PolarHBondContact OG1-O 3.08Å; F140-F225 AromaticContact CD1-CD1 3.92Å; F140-F225 HydrophobicContact CD1-CD1 3.92Å; F140-F225 AromaticContact CD1-CE1 3.61Å; F140-F225 HydrophobicContact CD1-CE1 3.61Å; F140-F225 HydrophobicContact CD2-CD1 4.48Å; F140-F225 AromaticContact CE1-CD1 3.65Å; F140-F225 HydrophobicContact CE1-CD1 3.65Å; F140-F225 AromaticContact CE1-CE1 3.66Å; F140-F225 HydrophobicContact CE1-CE1 3.66Å; F140-F225 HydrophobicContact CE2-CD1 4.24Å; F140-F225 HydrophobicContact CG-CD1 4.3Å; F140-F225 HydrophobicContact CG-CE1 4.21Å; F140-F225 AromaticContact CZ-CD1 3.82Å; F140-F225 HydrophobicContact CZ-CD1 3.82Å; F140-F225 HydrophobicContact CZ-CE1 4.3Å; V168-F225 HydrophobicContact CG2-CE1 4.42Å; L198-F225 HydrophobicContact CD1-CD1 4.43Å; L198-F225 HydrophobicContact CD1-CE1 3.8Å; L198-F225 HydrophobicContact CD1-CZ 3.96Å; L198-F225 HydrophobicContact CD2-CD2 4.36Å; L198-F225 HydrophobicContact CD2-CE1 4.34Å; L198-F225 HydrophobicContact CD2-CE2 3.83Å; L198-F225 HydrophobicContact CD2-CZ 3.82Å; L198-F225 HydrophobicContact CG-CE1 4.28Å; L198-F225 HydrophobicContact CG-CE2 4.41Å; L198-F225 HydrophobicContact CG-CZ 3.91Å; V204-F225 HydrophobicContact CB-CE2 4.27Å; V204-F225 HydrophobicContact CG1-CE2 4.29Å; V204-F225 HydrophobicContact CG2-CE2 4.08Å; V204-F225 HydrophobicContact CG2-CZ 4.25Å; Y221-F225 HydrophobicContact CD1-CE1 4.36Å; Y221-F225 HydrophobicContact CD1-CZ 4.08Å; Y221-F225 HydrophobicContact CG-CZ 4.25Å; Y221-F225 WeakPolarHBondContact O-CB 3.35Å; Y221-F225 WeakPolarHBondContact O-CD1 3.46Å; Y221-F225 WeakPolarHBondContact O-CD2 3.43Å; Y221-F225 WeakPolarHBondContact O-CG 3.42Å; Y221-F225 PolarHBondContact O-N 3.36Å; D222-F225 PolarHBondContact O-N 3.33Å; Y223-F225 VanDerWaalsContact C-N 3.31Å; Y223-F225 PolarHBondContact O-N 3.33Å; F225-A228 PolarHBondContact O-N 3.12Å; F225-V229 VanDerWaalsContact O-CG2 3.25Å; F225-V229 WeakPolarHBondContact O-CG2 3.33Å; F225-V229 PolarHBondContact O-N 3.02Å; F225-V229 VanDerWaalsContact O-N 3.08Å
226	D	98.9	Very high	98.5	Very high	69 Å²	69	47.3 Å²	47.3	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-49.1	-178.6	-171.7	63.3	0	0	0	112.3	A127 D222 Y223 A228 V229 Q230	A127-D226 HydrophobicContact CB-CB 3.88Å; D222-D226 WeakPolarHBondContact O-CB 3.45Å; D222-D226 PolarHBondContact O-N 2.84Å; Y223-D226 PolarHBondContact O-N 3.19Å; D226-A228 VanDerWaalsContact C-N 3.29Å; D226-A228 PolarHBondContact O-N 3.36Å; D226-V229 WeakPolarHBondContact O-CB 3.42Å; D226-V229 PolarHBondContact O-N 3.45Å; D226-V229 VanDerWaalsContact O-N 3.13Å; D226-Q230 WeakPolarHBondContact O-CG 3.47Å; D226-Q230 PolarHBondContact O-N 3.39Å; D226-Q230 PolarHBondContact OD2-NE2 2.74Å
227	I	98.8	Very high	98.5	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.185	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-35.9	179.1	-158.1	67.7	0	0	0	111.4	I142 Y223 V229 Q230 M231	I142-I227 HydrophobicContact CD1-CG2 3.9Å; Y223-I227 HydrophobicContact CD1-CG2 4.35Å; Y223-I227 HydrophobicContact CE1-CB 4.18Å; Y223-I227 HydrophobicContact CE1-CG2 4.14Å; Y223-I227 PolarHBondContact O-N 3.45Å; I227-V229 VanDerWaalsContact C-N 3.34Å; I227-V229 PolarHBondContact O-N 3.15Å; I227-Q230 PolarHBondContact O-N 3Å; I227-M231 WeakPolarHBondContact O-CB 3.35Å; I227-M231 WeakPolarHBondContact O-CG 3.46Å; I227-M231 PolarHBondContact O-N 3.29Å
228	A	98.9	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-39	175.4	0	0	0	0	0	112.6	Y135 F140 I142 L224 F225 D226 K232 P238	Y135-A228 HydrophobicContact CE2-CB 4.45Å; F140-A228 HydrophobicContact CE2-CB 3.59Å; F140-A228 HydrophobicContact CZ-CB 4.03Å; I142-A228 HydrophobicContact CD1-CB 4.15Å; L224-A228 WeakPolarHBondContact O-CB 3.34Å; L224-A228 PolarHBondContact O-N 3.2Å; L224-A228 VanDerWaalsContact O-N 3.13Å; F225-A228 PolarHBondContact O-N 3.12Å; D226-A228 VanDerWaalsContact C-N 3.29Å; D226-A228 PolarHBondContact O-N 3.36Å; A228-K232 WeakPolarHBondContact O-CG 3.47Å; A228-K232 PolarHBondContact O-N 3.17Å; A228-K232 VanDerWaalsContact O-N 3.08Å; A228-P238 HydrophobicContact CB-CB 4.02Å; A228-P238 HydrophobicContact CB-CG 3.87Å; A228-P238 WeakPolarHBondContact O-CG 3.49Å
229	V	98.8	Very high	98.4	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-48.7	174.3	170.2	0	0	0	0	109.5	M130 L134 F225 D226 I227 K232 Q233	M130-V229 HydrophobicContact CB-CG1 4.45Å; M130-V229 HydrophobicContact CB-CG2 3.89Å; L134-V229 HydrophobicContact CD1-CB 4.18Å; L134-V229 HydrophobicContact CD1-CG1 3.96Å; L134-V229 HydrophobicContact CD1-CG2 3.97Å; F225-V229 VanDerWaalsContact O-CG2 3.25Å; F225-V229 WeakPolarHBondContact O-CG2 3.33Å; F225-V229 PolarHBondContact O-N 3.02Å; F225-V229 VanDerWaalsContact O-N 3.08Å; D226-V229 WeakPolarHBondContact O-CB 3.42Å; D226-V229 PolarHBondContact O-N 3.45Å; D226-V229 VanDerWaalsContact O-N 3.13Å; I227-V229 VanDerWaalsContact C-N 3.34Å; I227-V229 PolarHBondContact O-N 3.15Å; V229-K232 PolarHBondContact O-N 3.1Å; V229-Q233 WeakPolarHBondContact O-CG 3.3Å; V229-Q233 PolarHBondContact O-N 2.98Å
230	Q	98.8	Very high	98.3	Very high	89 Å²	89	49 Å²	49	42%	0.416	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-45.8	179.4	-66.4	-173.8	49.2	0	0	112.2	D226 I227 K232 Q233 C234	D226-Q230 WeakPolarHBondContact O-CG 3.47Å; D226-Q230 PolarHBondContact O-N 3.39Å; D226-Q230 PolarHBondContact OD2-NE2 2.74Å; I227-Q230 PolarHBondContact O-N 3Å; Q230-K232 VanDerWaalsContact C-N 3.34Å; Q230-K232 PolarHBondContact O-N 3.1Å; Q230-Q233 WeakPolarHBondContact O-CB 3.34Å; Q230-Q233 PolarHBondContact O-N 2.74Å; Q230-Q233 VanDerWaalsContact O-N 3.14Å; Q230-C234 PolarHBondContact O-N 3.22Å
231	M	98.4	Very high	98.2	Very high	34 Å²	34	53.9 Å²	53.9	17%	0.167	30%	0.302	C	S	.	.	H	α-helix	trans	-54.5	-48.8	174.7	-78.1	177.5	79.4	0	0	111.5	I227 Q233 C234 G235 L236 P238	I227-M231 WeakPolarHBondContact O-CB 3.35Å; I227-M231 WeakPolarHBondContact O-CG 3.46Å; I227-M231 PolarHBondContact O-N 3.29Å; M231-Q233 VanDerWaalsContact C-N 3.34Å; M231-Q233 PolarHBondContact O-N 2.77Å; M231-C234 CarbonylContact O-C 3.45Å; M231-C234 WeakPolarHBondContact O-CA 3.29Å; M231-C234 PolarHBondContact O-N 2.87Å; M231-C234 VanDerWaalsContact O-N 3.09Å; M231-G235 PolarHBondContact O-N 2.89Å; M231-L236 CarbonylContact C-O 3.56Å; M231-L236 HydrophobicContact CB-CB 4.04Å; M231-L236 HydrophobicContact CE-CB 4.19Å; M231-L236 HydrophobicContact CG-CB 4.49Å; M231-L236 HydrophobicContact CG-CD1 4.46Å; M231-L236 WeakPolarHBondContact O-CB 3.49Å; M231-L236 PolarHBondContact O-N 3.34Å; M231-P238 HydrophobicContact CB-CG 3.83Å; M231-P238 HydrophobicContact CE-CB 4.21Å; M231-P238 HydrophobicContact CE-CG 4.42Å; M231-P238 HydrophobicContact SD-CB 3.98Å; M231-P238 HydrophobicContact SD-CG 4.15Å
232	K	98.2	Very high	97.9	Very high	72 Å²	72	57.9 Å²	57.9	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-38.5	177.5	-77.9	-172.9	176.8	-65.1	0	112.8	L134 Y135 A228 V229 Q230 C234 G235 L236 P238	L134-K232 HydrophobicContact CB-CD 4.15Å; L134-K232 HydrophobicContact CD1-CB 4.48Å; L134-K232 HydrophobicContact CD1-CD 4.38Å; Y135-K232 HydrophobicContact CE2-CD 4.03Å; Y135-K232 VanDerWaalsContact CE2-CE 3.45Å; Y135-K232 VanDerWaalsContact OH-CE 3.3Å; Y135-K232 WeakPolarHBondContact OH-CE 3.32Å; A228-K232 WeakPolarHBondContact O-CG 3.47Å; A228-K232 PolarHBondContact O-N 3.17Å; A228-K232 VanDerWaalsContact O-N 3.08Å; V229-K232 PolarHBondContact O-N 3.1Å; Q230-K232 VanDerWaalsContact C-N 3.34Å; Q230-K232 PolarHBondContact O-N 3.1Å; K232-C234 PolarHBondContact O-N 2.82Å; K232-G235 PolarHBondContact O-N 2.72Å; K232-L236 WeakPolarHBondContact CA-O 3.46Å; K232-L236 PolarHBondContact N-O 3.41Å; K232-P238 HydrophobicContact CG-CG 4.03Å
233	Q	97.6	Very high	97.3	Very high	141 Å²	141	63.3 Å²	63.3	66%	0.659	36%	0.361	S	S	*	.	H	α-helix	trans	-62.9	-30.6	175.2	-72.5	172.5	-11.2	0	0	112.3	V229 Q230 M231 G235	V229-Q233 WeakPolarHBondContact O-CG 3.3Å; V229-Q233 PolarHBondContact O-N 2.98Å; Q230-Q233 WeakPolarHBondContact O-CB 3.34Å; Q230-Q233 PolarHBondContact O-N 2.74Å; Q230-Q233 VanDerWaalsContact O-N 3.14Å; M231-Q233 VanDerWaalsContact C-N 3.34Å; M231-Q233 PolarHBondContact O-N 2.77Å; Q233-G235 VanDerWaalsContact C-N 3.34Å
234	C	97.7	Very high	96.4	Very high	104 Å²	104	65.4 Å²	65.4	70%	0.703	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	5.9	174.4	-64.5	0	0	0	0	114.1	Q230 M231 K232	Q230-C234 PolarHBondContact O-N 3.22Å; M231-C234 CarbonylContact O-C 3.45Å; M231-C234 WeakPolarHBondContact O-CA 3.29Å; M231-C234 PolarHBondContact O-N 2.87Å; M231-C234 VanDerWaalsContact O-N 3.09Å; K232-C234 PolarHBondContact O-N 2.82Å
235	G	97.2	Very high	95.1	Very high	70 Å²	70	74.6 Å²	74.6	72%	0.722	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	14.3	179.8	0	0	0	0	0	115.1	M231 K232 Q233	M231-G235 PolarHBondContact O-N 2.89Å; K232-G235 PolarHBondContact O-N 2.72Å; Q233-G235 VanDerWaalsContact C-N 3.34Å
236	L	97.1	Very high	94.1	Very high	83 Å²	83	83.4 Å²	83.4	44%	0.435	46%	0.456	S	S	.	.			trans	-93.2	140.2	174.6	-56.3	173.8	0	0	0	110.3	M231 K232 P238	M231-L236 CarbonylContact C-O 3.56Å; M231-L236 HydrophobicContact CB-CB 4.04Å; M231-L236 HydrophobicContact CE-CB 4.19Å; M231-L236 HydrophobicContact CG-CB 4.49Å; M231-L236 HydrophobicContact CG-CD1 4.46Å; M231-L236 WeakPolarHBondContact O-CB 3.49Å; M231-L236 PolarHBondContact O-N 3.34Å; K232-L236 WeakPolarHBondContact CA-O 3.46Å; K232-L236 PolarHBondContact N-O 3.41Å; L236-P238 WeakPolarHBondContact O-CD 3.35Å
237	D	97.6	Very high	93.5	Very high	80 Å²	80	83.1 Å²	83.1	43%	0.428	47%	0.469	S	S	.	.			trans	-90.7	111.8	172.8	-174.8	-6.6	0	0	0	110.4	S239 A240	D237-S239 PolarHBondContact O-N 3.06Å; D237-S239 VanDerWaalsContact O-N 3.12Å; D237-S239 PolarHBondContact OD1-N 3.42Å; D237-S239 PolarHBondContact OD1-OG 3.09Å; D237-S239 PolarHBondContact OD2-OG 3.07Å; D237-A240 HydrophobicContact CB-CB 3.89Å; D237-A240 PolarHBondContact O-N 3.18Å
238	P	98.2	Very high	93.1	Very high	2 Å²	2	90.3 Å²	90.3	1%	0.013	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.6	-179.3	-20.5	35.1	0	0	0	114.1	Y135 I142 T143 A228 M231 K232 L236	Y135-P238 WeakPolarHBondContact OH-CG 3.48Å; I142-P238 WeakPolarHBondContact CA-O 3.24Å; I142-P238 HydrophobicContact CB-CB 4.46Å; I142-P238 HydrophobicContact CD1-CB 4.2Å; I142-P238 HydrophobicContact CG1-CB 3.93Å; T143-P238 PolarHBondContact N-O 2.86Å; A228-P238 HydrophobicContact CB-CB 4.02Å; A228-P238 HydrophobicContact CB-CG 3.87Å; A228-P238 WeakPolarHBondContact O-CG 3.49Å; M231-P238 HydrophobicContact CB-CG 3.83Å; M231-P238 HydrophobicContact CE-CB 4.21Å; M231-P238 HydrophobicContact CE-CG 4.42Å; M231-P238 HydrophobicContact SD-CB 3.98Å; M231-P238 HydrophobicContact SD-CG 4.15Å; K232-P238 HydrophobicContact CG-CG 4.03Å; L236-P238 WeakPolarHBondContact O-CD 3.35Å
239	S	97.7	Very high	92.3	Very high	38 Å²	38	99 Å²	99	27%	0.266	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.7	-5.4	-178.6	70.3	0	0	0	0	113.6	M165 D237	M165-S239 VanDerWaalsContact CE-O 3.31Å; M165-S239 WeakPolarHBondContact CE-O 3.44Å; D237-S239 PolarHBondContact O-N 3.06Å; D237-S239 VanDerWaalsContact O-N 3.12Å; D237-S239 PolarHBondContact OD1-N 3.42Å; D237-S239 PolarHBondContact OD1-OG 3.09Å; D237-S239 PolarHBondContact OD2-OG 3.07Å
240	A	97.3	Very high	92	Very high	49 Å²	49	103.5 Å²	103.5	41%	0.405	58%	0.584	S	S	.	*	S	Bend	trans	-78.5	147.6	175.8	0	0	0	0	0	111.1	T143 D237	T143-A240 WeakPolarHBondContact CG2-O 3.26Å; D237-A240 HydrophobicContact CB-CB 3.89Å; D237-A240 PolarHBondContact O-N 3.18Å
241	L	95.9	Very high	91.7	Very high	117 Å²	117	104.3 Å²	104.3	61%	0.613	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-65.4	140.1	167.1	-64	176	0	0	0	109.1	H144 V243	H144-L241 WeakPolarHBondContact CE1-CD2 3.44Å; L241-V243 PolarHBondContact O-N 3.04Å
242	P	93.1	Very high	91.3	Very high	84 Å²	84	108.2 Å²	108.2	55%	0.545	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-58.4	122.5	174.6	-24.4	34.2	0	0	0	111	H144	H144-P242 HydrophobicContact CB-CG 3.6Å; H144-P242 WeakPolarHBondContact CD2-CD 3.4Å
243	V	86.9	Confident	90.9	Very high	143 Å²	143	110.3 Å²	110.3	87%	0.867	64%	0.635	S	S	*	*			trans	-105.7	-0.9	179.9	-67.4	0	0	0	0	113.2	L241	L241-V243 PolarHBondContact O-N 3.04Å
244	E	79.3	Confident	90.5	Very high	154 Å²	154	108.4 Å²	108.4	72%	0.72	63%	0.633	S	S	*	*	S	Bend	trans	-73	157.8	-175.3	-62.4	174	-174.4	0	0	112	K246	E244-K246 PolarHBondContact O-N 3.36Å
245	E	72.8	Confident	90	Very high	193 Å²	193	108.7 Å²	108.7	90%	0.902	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57	133.9	170.8	-72.9	-174.9	171.3	0	0	109.6	G247	E245-G247 PolarHBondContact O-N 3.14Å
246	K	78.1	Confident	89.5	Confident	185 Å²	185	111.4 Å²	111.4	80%	0.804	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-61	132.8	176.8	-65.5	-176.4	179.3	-178.7	0	108.2	E244 V249	E244-K246 PolarHBondContact O-N 3.36Å; K246-V249 HydrophobicContact CB-CG1 4.09Å; K246-V249 HydrophobicContact CD-CG1 4.34Å
247	G	86.3	Confident	88.9	Confident	62 Å²	62	113.6 Å²	113.6	64%	0.639	64%	0.636	S	S	*	*			trans	-62.2	-163.4	168.3	0	0	0	0	0	111.8	E245 V249	E245-G247 PolarHBondContact O-N 3.14Å; G247-V249 PolarHBondContact O-N 3.39Å
248	I	89.7	Confident	88.1	Confident	187 Å²	187	116.4 Å²	116.4	96%	0.959	65%	0.653	S	S	*	*			trans	-58.4	123.8	176.5	-56	172.2	0	0	0	109.1
249	V	82.6	Confident	87.2	Confident	183 Å²	183	126.8 Å²	126.8	100%	1.109	71%	0.712	S	S	*	*			trans	-115.2	0	-179.3	-71.4	0	0	0	0	112.4	K246 G247	K246-V249 HydrophobicContact CB-CG1 4.09Å; K246-V249 HydrophobicContact CD-CG1 4.34Å; G247-V249 PolarHBondContact O-N 3.39Å

Retrieved 249 of 249 residues in 49.8 ms (Link to these results)

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