A0A077ZD33_TRITR Loading...

Uracil-DNA glycosylase

Excises uracil residues from the DNA which can arise as a result of misincorporation of dUMP residues by DNA polymerase or due to deamination of cytosine.

AlphaFold DB , UniProt , Accession A0A077ZD33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.8	Very low	33.8	Very low	244 Å²	244	167.5 Å²	167.5	100%	1.202	83%	0.831	S	S	*	*				0	97.8	0	-75.9	-170.5	-171.1	0	0	108.5
2	S	38.6	Very low	33.8	Very low	121 Å²	121	160 Å²	160	85%	0.846	83%	0.828	S	S	*	*			trans	-150.9	88.5	168.7	-45.7	0	0	0	0	107.2	E4	S2-E4 PolarHBondContact O-N 3.22Å
3	R	37.8	Very low	34.8	Very low	244 Å²	244	153.9 Å²	153.9	92%	0.921	80%	0.802	S	S	*	*			trans	-79.6	99.4	170	-81.9	-175.6	177.7	-179.2	-0.2	107.2	V5	R3-V5 PolarHBondContact O-N 3.26Å; R3-V5 VanDerWaalsContact O-N 3.14Å
4	E	33.5	Very low	36	Very low	174 Å²	174	156.6 Å²	156.6	81%	0.813	81%	0.809	S	S	*	*			trans	-75.3	98.5	173.1	-147.3	175.7	-157.3	0	0	108.5	S2 K6	S2-E4 PolarHBondContact O-N 3.22Å; E4-K6 PolarHBondContact O-N 3.47Å; E4-K6 VanDerWaalsContact O-N 3.12Å
5	V	32.4	Very low	37.6	Very low	115 Å²	115	151.1 Å²	151.1	70%	0.697	79%	0.785	S	S	*	*			trans	-78.4	94.2	176.2	-179.7	0	0	0	0	108.1	R3 R7	R3-V5 PolarHBondContact O-N 3.26Å; R3-V5 VanDerWaalsContact O-N 3.14Å; V5-R7 HydrophobicContact CG1-CG 4.24Å; V5-R7 PolarHBondContact O-N 2.89Å
6	K	32.8	Very low	39.6	Very low	178 Å²	178	142.7 Å²	142.7	77%	0.774	74%	0.743	S	S	*	*			trans	-64.4	99.4	165.5	-77.2	-177.2	177.8	177.8	0	109.2	E4 T8	E4-K6 PolarHBondContact O-N 3.47Å; E4-K6 VanDerWaalsContact O-N 3.12Å; K6-T8 PolarHBondContact O-N 3.47Å
7	R	27.9	Very low	41.8	Very low	238 Å²	238	138.9 Å²	138.9	90%	0.898	73%	0.731	S	S	*	*			trans	-78.7	90.5	165.1	-74.5	-176.3	174	173	-1.2	108.8	V5 C9	V5-R7 HydrophobicContact CG1-CG 4.24Å; V5-R7 PolarHBondContact O-N 2.89Å; R7-C9 PolarHBondContact O-N 3.26Å
8	T	29.8	Very low	43.7	Very low	104 Å²	104	141.5 Å²	141.5	64%	0.638	74%	0.735	S	S	*	*			trans	-77.9	113.5	161.8	50.4	0	0	0	0	108.4	K6 K10	K6-T8 PolarHBondContact O-N 3.47Å; T8-K10 VanDerWaalsContact C-N 3.34Å; T8-K10 PolarHBondContact O-N 3.02Å
9	C	29.2	Very low	45.5	Very low	121 Å²	121	140 Å²	140	82%	0.818	72%	0.724	S	S	*	*			trans	-69.9	92.4	170.2	-158.5	0	0	0	0	108	R7 T11	R7-C9 PolarHBondContact O-N 3.26Å; C9-T11 PolarHBondContact O-N 3.35Å; C9-T11 VanDerWaalsContact O-N 3.1Å
10	K	28.2	Very low	47.1	Very low	185 Å²	185	137.8 Å²	137.8	80%	0.804	71%	0.709	S	S	*	*			trans	-75.2	89.2	174.5	-69.8	-174.4	178	-176.2	0	109.2	T8 G12	T8-K10 VanDerWaalsContact C-N 3.34Å; T8-K10 PolarHBondContact O-N 3.02Å; K10-G12 VanDerWaalsContact C-N 3.29Å; K10-G12 PolarHBondContact O-N 2.95Å
11	T	43.2	Very low	48.5	Very low	119 Å²	119	133.6 Å²	133.6	73%	0.73	68%	0.684	S	S	*	*			trans	-90.9	77.7	152.2	51.6	0	0	0	0	106.7	C9 T13	C9-T11 PolarHBondContact O-N 3.35Å; C9-T11 VanDerWaalsContact O-N 3.1Å; T11-T13 VanDerWaalsContact C-N 3.3Å; T11-T13 PolarHBondContact O-N 2.87Å
12	G	33.6	Very low	50.2	Low	77 Å²	77	126.3 Å²	126.3	79%	0.794	65%	0.65	S	S	*	*			trans	-77.9	78.4	179.8	0	0	0	0	0	110.8	K10	K10-G12 VanDerWaalsContact C-N 3.29Å; K10-G12 PolarHBondContact O-N 2.95Å
13	T	46.3	Very low	52.1	Low	81 Å²	81	124.8 Å²	124.8	50%	0.497	63%	0.632	S	S	.	*			trans	-119.6	112.7	153.9	47.9	0	0	0	0	105.8	T11 V15 A235	T11-T13 VanDerWaalsContact C-N 3.3Å; T11-T13 PolarHBondContact O-N 2.87Å; T13-V15 PolarHBondContact O-N 2.88Å; T13-V15 VanDerWaalsContact O-N 3.11Å; T13-A235 HydrophobicContact CG2-CB 4.35Å
14	E	52.5	Low	54	Low	192 Å²	192	115 Å²	115	90%	0.897	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-55.2	119.3	173.2	-82.9	-177.4	166.9	0	0	108.5	P16	E14-P16 WeakPolarHBondContact O-CD 3.3Å
15	V	59.2	Low	56	Low	74 Å²	74	111.5 Å²	111.5	45%	0.448	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-65.6	127.2	178.5	-156.8	0	0	0	0	107.3	T13 R21	T13-V15 PolarHBondContact O-N 2.88Å; T13-V15 VanDerWaalsContact O-N 3.11Å; V15-R21 VanDerWaalsContact CB-NH2 3.28Å
16	P	70	Confident	57.9	Low	16 Å²	16	109.4 Å²	109.4	10%	0.104	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-50.2	147.7	-175.6	-30.7	35.3	0	0	0	113.1	E14 K20 R21 E236	E14-P16 WeakPolarHBondContact O-CD 3.3Å; P16-K20 HydrophobicContact CB-CB 4.15Å; P16-K20 HydrophobicContact CB-CD 3.99Å; P16-K20 HydrophobicContact CB-CG 4.04Å; P16-R21 HydrophobicContact CB-CG 4.19Å; P16-R21 WeakPolarHBondContact O-CG 3.31Å; P16-R21 PolarHBondContact O-NE 3.24Å; P16-R21 PolarHBondContact O-NH2 3.12Å; P16-E236 WeakPolarHBondContact CG-O 3.31Å
17	S	76.6	Confident	59.7	Low	78 Å²	78	103.7 Å²	103.7	55%	0.545	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-55.5	150.7	176.1	72.6	0	0	0	0	111	Q19 K20 R21	S17-Q19 PolarHBondContact O-N 2.99Å; S17-Q19 VanDerWaalsContact O-N 3.11Å; S17-K20 PolarHBondContact O-N 2.56Å; S17-K20 WeakPolarHBondContact OG-CB 3.45Å; S17-K20 PolarHBondContact OG-N 2.97Å; S17-R21 VanDerWaalsContact O-CG 3.29Å; S17-R21 WeakPolarHBondContact O-CG 3.3Å; S17-R21 PolarHBondContact O-N 3.05Å
18	K	75.6	Confident	61.6	Low	186 Å²	186	93.4 Å²	93.4	81%	0.809	52%	0.516	S	S	*	.	H	α-helix	trans	-50.9	-39	-179.8	-172.8	-179.7	178.6	-177.2	0	112.6	R21 L22	K18-R21 PolarHBondContact O-N 3.09Å; K18-L22 PolarHBondContact O-N 3.33Å
19	Q	78.1	Confident	63.2	Low	113 Å²	113	91.4 Å²	91.4	53%	0.528	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-49.3	175.9	-171.7	60.4	45.4	0	0	111.8	S17 R21 L22 D23	S17-Q19 PolarHBondContact O-N 2.99Å; S17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-R21 PolarHBondContact O-N 3.14Å; Q19-L22 WeakPolarHBondContact O-CA 3.33Å; Q19-L22 WeakPolarHBondContact O-CB 3.3Å; Q19-L22 PolarHBondContact O-N 3.01Å; Q19-D23 PolarHBondContact NE2-OD1 2.7Å; Q19-D23 PolarHBondContact O-N 2.74Å
20	K	78	Confident	64.5	Low	96 Å²	96	90.8 Å²	90.8	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-58.7	-36.7	176	-175.4	171.6	171.9	-170.8	0	111.5	P16 S17 M24 E236	P16-K20 HydrophobicContact CB-CB 4.15Å; P16-K20 HydrophobicContact CB-CD 3.99Å; P16-K20 HydrophobicContact CB-CG 4.04Å; S17-K20 PolarHBondContact O-N 2.56Å; S17-K20 WeakPolarHBondContact OG-CB 3.45Å; S17-K20 PolarHBondContact OG-N 2.97Å; K20-M24 HydrophobicContact CG-SD 4.15Å; K20-M24 WeakPolarHBondContact O-CB 3.37Å; K20-M24 WeakPolarHBondContact O-CG 3.45Å; K20-M24 PolarHBondContact O-N 2.92Å; K20-E236 IonicContact NZ-OE2 3.5Å
21	R	75.3	Confident	66	Low	50 Å²	50	87.3 Å²	87.3	19%	0.189	48%	0.483	C	S	.	.	H	α-helix	trans	-62.4	-44.8	173.5	-53.7	-154.8	-166.7	166.2	7	112.1	V15 P16 S17 K18 Q19 M24 F25 Y215 E269	V15-R21 VanDerWaalsContact CB-NH2 3.28Å; P16-R21 HydrophobicContact CB-CG 4.19Å; P16-R21 WeakPolarHBondContact O-CG 3.31Å; P16-R21 PolarHBondContact O-NE 3.24Å; P16-R21 PolarHBondContact O-NH2 3.12Å; S17-R21 VanDerWaalsContact O-CG 3.29Å; S17-R21 WeakPolarHBondContact O-CG 3.3Å; S17-R21 PolarHBondContact O-N 3.05Å; K18-R21 PolarHBondContact O-N 3.09Å; Q19-R21 PolarHBondContact O-N 3.14Å; R21-M24 PolarHBondContact O-N 3.18Å; R21-F25 WeakPolarHBondContact O-CB 3.41Å; R21-F25 PolarHBondContact O-N 3.43Å; R21-Y215 WeakPolarHBondContact CA-OH 3.34Å; R21-Y215 HydrophobicContact CB-CE1 3.8Å; R21-Y215 WeakPolarHBondContact CB-OH 3.24Å; R21-Y215 HydrophobicContact CG-CE1 4.38Å; R21-Y215 WeakPolarHBondContact CG-OH 3.28Å; R21-E269 PolarHBondContact NH1-O 3.32Å
22	L	75.1	Confident	66.5	Low	91 Å²	91	84.3 Å²	84.3	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-45.7	178.6	-173.8	63.2	0	0	0	110.9	K18 Q19 M24 F25 V26	K18-L22 PolarHBondContact O-N 3.33Å; Q19-L22 WeakPolarHBondContact O-CA 3.33Å; Q19-L22 WeakPolarHBondContact O-CB 3.3Å; Q19-L22 PolarHBondContact O-N 3.01Å; L22-M24 VanDerWaalsContact C-N 3.33Å; L22-M24 PolarHBondContact O-N 3.19Å; L22-F25 PolarHBondContact O-N 3.02Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.32Å; L22-V26 PolarHBondContact O-N 3.21Å
23	D	78.3	Confident	67.4	Low	89 Å²	89	89.6 Å²	89.6	48%	0.476	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-43	178.8	-59.3	-22.5	0	0	0	111.3	Q19 V26 A27	Q19-D23 PolarHBondContact NE2-OD1 2.7Å; Q19-D23 PolarHBondContact O-N 2.74Å; D23-V26 PolarHBondContact O-N 2.91Å; D23-A27 WeakPolarHBondContact O-CB 3.25Å; D23-A27 PolarHBondContact O-N 3.37Å
24	M	77.9	Confident	67.7	Low	39 Å²	39	94.8 Å²	94.8	19%	0.192	48%	0.482	C	S	.	.	H	α-helix	trans	-66.2	-39.5	176.2	-69	176.9	76.1	0	0	112.5	K20 R21 L22 V28 Y215 K237	K20-M24 HydrophobicContact CG-SD 4.15Å; K20-M24 WeakPolarHBondContact O-CB 3.37Å; K20-M24 WeakPolarHBondContact O-CG 3.45Å; K20-M24 PolarHBondContact O-N 2.92Å; R21-M24 PolarHBondContact O-N 3.18Å; L22-M24 VanDerWaalsContact C-N 3.33Å; L22-M24 PolarHBondContact O-N 3.19Å; M24-V28 WeakPolarHBondContact O-CG2 3.46Å; M24-V28 PolarHBondContact O-N 2.78Å; M24-Y215 HydrophobicContact CB-CD2 3.75Å; M24-Y215 HydrophobicContact CB-CE2 3.72Å; M24-Y215 HydrophobicContact CB-CG 4.3Å; M24-Y215 HydrophobicContact CE-CD2 3.92Å; M24-Y215 HydrophobicContact CE-CE2 3.59Å; M24-Y215 HydrophobicContact CG-CE2 4.31Å; M24-Y215 HydrophobicContact SD-CD2 4.38Å; M24-Y215 HydrophobicContact SD-CE2 3.64Å; M24-K237 HydrophobicContact CE-CB 4.47Å; M24-K237 HydrophobicContact CE-CD 4.33Å; M24-K237 HydrophobicContact CE-CG 3.55Å
25	F	74.8	Confident	68.1	Low	100 Å²	100	87.7 Å²	87.7	44%	0.439	46%	0.456	S	S	.	.	H	α-helix	trans	-63.6	-46.6	174.7	176.6	-100.9	0	0	0	111.5	R21 L22 A27 V28 T29 Y215	R21-F25 WeakPolarHBondContact O-CB 3.41Å; R21-F25 PolarHBondContact O-N 3.43Å; L22-F25 PolarHBondContact O-N 3.02Å; F25-A27 PolarHBondContact O-N 3.07Å; F25-V28 PolarHBondContact O-N 3.33Å; F25-T29 HydrophobicContact CD1-CG2 4.33Å; F25-T29 HydrophobicContact CE1-CG2 3.89Å; F25-T29 HydrophobicContact CE2-CG2 4.08Å; F25-T29 HydrophobicContact CZ-CG2 3.75Å; F25-T29 WeakPolarHBondContact O-CG2 3.41Å; F25-T29 PolarHBondContact O-N 3.36Å; F25-T29 VanDerWaalsContact O-N 3.08Å; F25-T29 PolarHBondContact O-OG1 3.06Å; F25-Y215 HydrophobicContact CB-CD1 4.25Å
26	V	73	Confident	68.9	Low	71 Å²	71	94 Å²	94	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-58.5	-48.7	178	171.7	0	0	0	0	110.4	L22 D23 V28 T29 V30	L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.32Å; L22-V26 PolarHBondContact O-N 3.21Å; D23-V26 PolarHBondContact O-N 2.91Å; V26-V28 VanDerWaalsContact C-N 3.29Å; V26-V28 PolarHBondContact O-N 3.03Å; V26-T29 PolarHBondContact O-N 3.38Å; V26-T29 PolarHBondContact O-OG1 3.35Å; V26-V30 HydrophobicContact CG1-CG2 4.36Å; V26-V30 WeakPolarHBondContact O-CG2 3.26Å; V26-V30 PolarHBondContact O-N 3.19Å; V26-V30 VanDerWaalsContact O-N 3.17Å
27	A	70.7	Confident	69.5	Low	58 Å²	58	96.7 Å²	96.7	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-54.3	-44.1	178.5	0	0	0	0	0	112.6	D23 F25	D23-A27 WeakPolarHBondContact O-CB 3.25Å; D23-A27 PolarHBondContact O-N 3.37Å; F25-A27 PolarHBondContact O-N 3.07Å
28	V	68	Low	69.8	Low	21 Å²	21	98.8 Å²	98.8	13%	0.127	50%	0.496	C	S	.	.	H	α-helix	trans	-65.3	-39.5	177.7	168	0	0	0	0	112.2	M24 F25 V26 H213	M24-V28 WeakPolarHBondContact O-CG2 3.46Å; M24-V28 PolarHBondContact O-N 2.78Å; F25-V28 PolarHBondContact O-N 3.33Å; V26-V28 VanDerWaalsContact C-N 3.29Å; V26-V28 PolarHBondContact O-N 3.03Å; V28-H213 VanDerWaalsContact CG1-C 3.46Å; V28-H213 WeakPolarHBondContact CG1-O 3.41Å
29	T	62.6	Low	70.1	Confident	62 Å²	62	92.4 Å²	92.4	38%	0.38	47%	0.47	S	S	.	.	H	α-helix	trans	-70.5	-31	-178	57.6	0	0	0	0	114	F25 V26 N32	F25-T29 HydrophobicContact CD1-CG2 4.33Å; F25-T29 HydrophobicContact CE1-CG2 3.89Å; F25-T29 HydrophobicContact CE2-CG2 4.08Å; F25-T29 HydrophobicContact CZ-CG2 3.75Å; F25-T29 WeakPolarHBondContact O-CG2 3.41Å; F25-T29 PolarHBondContact O-N 3.36Å; F25-T29 VanDerWaalsContact O-N 3.08Å; F25-T29 PolarHBondContact O-OG1 3.06Å; V26-T29 PolarHBondContact O-N 3.38Å; V26-T29 PolarHBondContact O-OG1 3.35Å; T29-N32 PolarHBondContact O-N 3.32Å
30	V	58.1	Low	70.3	Confident	108 Å²	108	87.8 Å²	87.8	66%	0.655	45%	0.449	S	S	*	.	H	α-helix	trans	-70.6	-33.8	-178	175.3	0	0	0	0	111.8	V26 N32	V26-V30 HydrophobicContact CG1-CG2 4.36Å; V26-V30 WeakPolarHBondContact O-CG2 3.26Å; V26-V30 PolarHBondContact O-N 3.19Å; V26-V30 VanDerWaalsContact O-N 3.17Å; V30-N32 PolarHBondContact O-N 2.81Å
31	E	58.4	Low	70.6	Confident	112 Å²	112	92.7 Å²	92.7	52%	0.523	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.1	179	-72.5	-171.6	169.3	0	0	114.8	K33 R57 H213	E31-K33 PolarHBondContact O-N 2.95Å; E31-R57 PolarHBondContact O-NH2 2.97Å; E31-R57 VanDerWaalsContact O-NH2 3.17Å; E31-H213 IonicContact OE2-CE1 2.88Å; E31-H213 IonicContact OE2-ND1 3.77Å; E31-H213 PolarHBondContact OE2-ND1 3.34Å
32	N	54.4	Low	71.3	Confident	57 Å²	57	95.9 Å²	95.9	31%	0.305	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.6	-168.7	-81.7	-21.8	0	0	0	115.4	T29 V30 R57	T29-N32 PolarHBondContact O-N 3.32Å; V30-N32 PolarHBondContact O-N 2.81Å; N32-R57 PolarHBondContact OD1-NH2 3.34Å
33	K	51.8	Low	72.1	Confident	188 Å²	188	91.9 Å²	91.9	82%	0.817	47%	0.474	S	S	*	.	S	Bend	trans	-90.3	-15.1	-165.8	-81.3	-167	173.7	-175.7	0	118.9	E31	E31-K33 PolarHBondContact O-N 2.95Å
34	E	53.8	Low	72.9	Confident	189 Å²	189	90.1 Å²	90.1	88%	0.883	47%	0.465	S	S	*	.			trans	-147.6	30.2	-172.4	-66.1	-166.1	170.8	0	0	116.9	K36	E34-K36 PolarHBondContact O-N 2.53Å
35	A	59.3	Low	73.9	Confident	43 Å²	43	88.3 Å²	88.3	36%	0.355	46%	0.456	S	S	.	.			trans	-81.1	121.3	175.2	0	0	0	0	0	111.3	C56	A35-C56 HydrophobicContact CB-CB 3.97Å; A35-C56 PolarHBondContact O-SG 3.36Å
36	K	76.7	Confident	74.9	Confident	208 Å²	208	83.5 Å²	83.5	90%	0.904	44%	0.435	S	S	*	.			trans	-85.7	142.9	166	-66.5	-178.3	-178.9	177.9	0	109.5	E34	E34-K36 PolarHBondContact O-N 2.53Å
37	Y	82	Confident	76	Confident	71 Å²	71	83.6 Å²	83.6	28%	0.278	44%	0.437	S	S	.	.			trans	-118	153.4	170.5	60.4	-99.3	0	0	0	110.6	I39 D52 R55	Y37-I39 HydrophobicContact CD2-CG1 3.92Å; Y37-I39 HydrophobicContact CE2-CD1 4.04Å; Y37-I39 HydrophobicContact CE2-CG1 3.88Å; Y37-D52 HydrophobicContact CE1-CB 4.37Å; Y37-D52 WeakPolarHBondContact CE1-OD1 3.02Å; Y37-D52 PolarHBondContact OH-OD1 3.48Å; Y37-R55 HydrophobicContact CD1-CB 3.55Å; Y37-R55 HydrophobicContact CD2-CB 3.99Å; Y37-R55 HydrophobicContact CE1-CB 3.6Å; Y37-R55 HydrophobicContact CE1-CG 4.43Å; Y37-R55 HydrophobicContact CE2-CB 4.09Å; Y37-R55 VanDerWaalsContact CE2-CD 3.42Å; Y37-R55 HydrophobicContact CE2-CG 4.36Å; Y37-R55 HydrophobicContact CG-CB 3.73Å; Y37-R55 VanDerWaalsContact OH-CD 3.25Å; Y37-R55 WeakPolarHBondContact OH-CD 3.41Å; Y37-R55 PolarHBondContact OH-NH1 3.21Å
38	V	83.3	Confident	77.3	Confident	123 Å²	123	82.4 Å²	82.4	75%	0.745	42%	0.422	S	S	*	.			trans	-115	127.1	168.9	-179.3	0	0	0	0	107	S59	V38-S59 WeakPolarHBondContact O-CB 3.16Å
39	I	82.7	Confident	78.7	Confident	51 Å²	51	81.4 Å²	81.4	26%	0.262	42%	0.416	S	S	.	.			trans	-85.9	121.4	171.9	-58.2	-178.7	0	0	0	106.6	Y37 E41 A46 P47	Y37-I39 HydrophobicContact CD2-CG1 3.92Å; Y37-I39 HydrophobicContact CE2-CD1 4.04Å; Y37-I39 HydrophobicContact CE2-CG1 3.88Å; I39-E41 PolarHBondContact O-N 3.23Å; I39-A46 HydrophobicContact CG2-CB 3.73Å; I39-P47 HydrophobicContact CG2-CG 4.33Å
40	P	82.9	Confident	80.3	Confident	16 Å²	16	83.7 Å²	83.7	10%	0.104	42%	0.422	C	S	.	.			trans	-62.1	123.2	176	-20.6	33.1	0	0	0	110.2	D42 S43 F62 S63	P40-D42 VanDerWaalsContact CB-OD1 3.31Å; P40-D42 WeakPolarHBondContact CB-OD1 3.27Å; P40-D42 PolarHBondContact O-N 3.27Å; P40-S43 WeakPolarHBondContact O-CB 3.16Å; P40-S43 PolarHBondContact O-N 3.35Å; P40-S43 VanDerWaalsContact O-N 3.13Å; P40-F62 HydrophobicContact CG-CB 4.02Å; P40-S63 VanDerWaalsContact CG-OG 3.26Å; P40-S63 WeakPolarHBondContact CG-OG 3.35Å
41	E	83.2	Confident	82.1	Confident	200 Å²	200	80.1 Å²	80.1	94%	0.935	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.2	-178.4	-65.3	-177.6	176.7	0	0	112.7	I39 S43	I39-E41 PolarHBondContact O-N 3.23Å; E41-S43 VanDerWaalsContact C-N 3.33Å
42	D	89.2	Confident	83.8	Confident	116 Å²	116	78.9 Å²	78.9	62%	0.62	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.7	-179.4	76.4	-36.4	0	0	0	113.3	P40 K68	P40-D42 VanDerWaalsContact CB-OD1 3.31Å; P40-D42 WeakPolarHBondContact CB-OD1 3.27Å; P40-D42 PolarHBondContact O-N 3.27Å; D42-K68 IonicContact OD1-NZ 3.7Å; D42-K68 PolarHBondContact OD1-NZ 3.12Å; D42-K68 WeakPolarHBondContact OD2-CE 3.3Å; D42-K68 IonicContact OD2-NZ 3.84Å; D42-K68 PolarHBondContact OD2-NZ 3.48Å
43	S	94	Very high	85.7	Confident	7 Å²	7	77.4 Å²	77.4	5%	0.049	39%	0.389	C	S	.	.			trans	-85.1	123.1	-178.7	176.1	0	0	0	0	111.6	P40 E41 L45 A46 P47 E71	P40-S43 WeakPolarHBondContact O-CB 3.16Å; P40-S43 PolarHBondContact O-N 3.35Å; P40-S43 VanDerWaalsContact O-N 3.13Å; E41-S43 VanDerWaalsContact C-N 3.33Å; S43-L45 VanDerWaalsContact C-N 3.31Å; S43-L45 PolarHBondContact O-N 3.08Å; S43-A46 WeakPolarHBondContact OG-CB 3.14Å; S43-A46 PolarHBondContact OG-N 2.85Å; S43-P47 VanDerWaalsContact O-CD 3.31Å; S43-P47 WeakPolarHBondContact O-CD 3.42Å; S43-E71 PolarHBondContact OG-OE1 2.92Å
44	L	94.8	Very high	87.9	Confident	53 Å²	53	68.4 Å²	68.4	28%	0.277	35%	0.35	S	S	.	.	S	Bend	trans	-66.8	-31.1	176.7	-171.6	69.1	0	0	0	112.8	E71 A75 W78 R88	L44-E71 HydrophobicContact CB-CB 4.33Å; L44-E71 HydrophobicContact CB-CG 4.38Å; L44-E71 PolarHBondContact N-OE1 2.87Å; L44-A75 HydrophobicContact CD2-CB 3.92Å; L44-W78 HydrophobicContact CD2-CE3 4.1Å; L44-W78 HydrophobicContact CD2-CZ3 3.55Å; L44-W78 HydrophobicContact CG-CZ3 4.22Å; L44-R88 PolarHBondContact O-NH2 3.03Å
45	L	97.8	Very high	89.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-110.1	-28.4	-172.3	-56	-178	0	0	0	113.5	S43 P47 L48 F67 I70 E71 L74 W78 I91 F92 W199	S43-L45 VanDerWaalsContact C-N 3.31Å; S43-L45 PolarHBondContact O-N 3.08Å; L45-P47 VanDerWaalsContact C-CD 3.41Å; L45-P47 VanDerWaalsContact C-N 3.31Å; L45-L48 HydrophobicContact CB-CD1 4.34Å; L45-L48 HydrophobicContact CD2-CD1 3.75Å; L45-L48 WeakPolarHBondContact O-CB 3.35Å; L45-L48 WeakPolarHBondContact O-CG 3.28Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-F67 HydrophobicContact CB-CE1 4.12Å; L45-F67 HydrophobicContact CB-CZ 4.27Å; L45-F67 HydrophobicContact CD1-CE1 4.11Å; L45-F67 HydrophobicContact CD1-CZ 4.11Å; L45-I70 HydrophobicContact CD1-CG2 4.33Å; L45-E71 HydrophobicContact CD1-CG 4.08Å; L45-E71 HydrophobicContact CG-CG 4.04Å; L45-E71 PolarHBondContact N-OE1 3.06Å; L45-L74 HydrophobicContact CD1-CD1 3.94Å; L45-W78 HydrophobicContact CD2-CH2 3.92Å; L45-W78 HydrophobicContact CD2-CZ3 4.34Å; L45-I91 HydrophobicContact CD2-CD1 3.96Å; L45-F92 HydrophobicContact CB-CE2 4.03Å; L45-F92 HydrophobicContact CB-CZ 4.37Å; L45-F92 WeakPolarHBondContact O-CE2 3.46Å; L45-W199 HydrophobicContact CD1-CH2 3.79Å; L45-W199 HydrophobicContact CD1-CZ2 4.18Å
46	A	96.7	Very high	91.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-52.5	-39.9	-176.4	0	0	0	0	0	114.4	I39 S43 L48 L49 F62	I39-A46 HydrophobicContact CG2-CB 3.73Å; S43-A46 WeakPolarHBondContact OG-CB 3.14Å; S43-A46 PolarHBondContact OG-N 2.85Å; A46-L48 PolarHBondContact O-N 3Å; A46-L48 VanDerWaalsContact O-N 3.12Å; A46-L49 PolarHBondContact O-N 3.05Å; A46-F62 HydrophobicContact CB-CB 3.93Å; A46-F62 HydrophobicContact CB-CD1 3.99Å; A46-F62 HydrophobicContact CB-CD2 3.35Å; A46-F62 HydrophobicContact CB-CE1 4.36Å; A46-F62 HydrophobicContact CB-CE2 3.78Å; A46-F62 HydrophobicContact CB-CG 3.49Å; A46-F62 VanDerWaalsContact CB-CG 3.49Å; A46-F62 HydrophobicContact CB-CZ 4.27Å
47	P	95.6	Very high	92.3	Very high	72 Å²	72	52.6 Å²	52.6	47%	0.468	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.9	177	-25.7	36.2	0	0	0	114.4	I39 S43 L45	I39-P47 HydrophobicContact CG2-CG 4.33Å; S43-P47 VanDerWaalsContact O-CD 3.31Å; S43-P47 WeakPolarHBondContact O-CD 3.42Å; L45-P47 VanDerWaalsContact C-CD 3.41Å; L45-P47 VanDerWaalsContact C-N 3.31Å
48	L	97.5	Very high	92.9	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.173	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-75.1	-27	-178	-52.5	173.2	0	0	0	112.5	L45 A46 H50 R88 F92 N96	L45-L48 HydrophobicContact CB-CD1 4.34Å; L45-L48 HydrophobicContact CD2-CD1 3.75Å; L45-L48 WeakPolarHBondContact O-CB 3.35Å; L45-L48 WeakPolarHBondContact O-CG 3.28Å; L45-L48 PolarHBondContact O-N 3.45Å; A46-L48 PolarHBondContact O-N 3Å; A46-L48 VanDerWaalsContact O-N 3.12Å; L48-H50 PolarHBondContact O-ND1 3.45Å; L48-R88 HydrophobicContact CD1-CG 3.78Å; L48-R88 WeakPolarHBondContact CD1-O 3.17Å; L48-F92 HydrophobicContact CB-CD2 3.85Å; L48-F92 HydrophobicContact CB-CE2 4.34Å; L48-N96 PolarHBondContact O-ND2 3.11Å
49	L	97.9	Very high	93.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.			trans	-79.8	117.5	167.9	177.2	64.1	0	0	0	106.1	A46 W54 R55 L58 F62 F92 L95	A46-L49 PolarHBondContact O-N 3.05Å; L49-W54 HydrophobicContact CD1-CB 3.96Å; L49-W54 HydrophobicContact CD2-CB 4.2Å; L49-W54 HydrophobicContact CG-CB 4.48Å; L49-R55 HydrophobicContact CD2-CG 4.2Å; L49-R55 HydrophobicContact CG-CG 4Å; L49-R55 PolarHBondContact O-NE 3.44Å; L49-R55 PolarHBondContact O-NH2 2.84Å; L49-L58 HydrophobicContact CD2-CB 4.32Å; L49-F62 HydrophobicContact CB-CZ 4.03Å; L49-F62 HydrophobicContact CD2-CE2 4.01Å; L49-F62 HydrophobicContact CD2-CZ 3.72Å; L49-F92 HydrophobicContact CB-CB 4.31Å; L49-F92 HydrophobicContact CB-CD2 3.74Å; L49-F92 HydrophobicContact CB-CE2 4.28Å; L49-F92 HydrophobicContact CB-CG 4.1Å; L49-F92 HydrophobicContact CD1-CB 4.22Å; L49-L95 HydrophobicContact CD1-CB 3.62Å; L49-L95 HydrophobicContact CD1-CD1 3.92Å; L49-L95 HydrophobicContact CD1-CG 4.42Å
50	H	95.4	Very high	94	Very high	111 Å²	111	44.9 Å²	44.9	51%	0.514	24%	0.24	S	C	.	.			trans	-128.7	-4.1	-175.5	60.7	-107.6	0	0	0	116.8	L48 R55 N96	L48-H50 PolarHBondContact O-ND1 3.45Å; H50-R55 VanDerWaalsContact CA-NH2 3.34Å; H50-N96 VanDerWaalsContact CE1-CG 3.49Å; H50-N96 PolarHBondContact CE1-ND2 2.86Å; H50-N96 PolarHBondContact N-OD1 2.86Å; H50-N96 PolarHBondContact ND1-ND2 2.85Å
51	E	96.5	Very high	94.7	Very high	32 Å²	32	44.4 Å²	44.4	15%	0.15	24%	0.236	C	C	.	.			trans	-78.7	125.2	170.1	-165.4	-65	127.5	0	0	110.2	S53 W54 R55 N96 P99	E51-S53 VanDerWaalsContact CD-N 3.33Å; E51-S53 PolarHBondContact O-N 3.18Å; E51-S53 WeakPolarHBondContact OE1-CB 3.44Å; E51-S53 PolarHBondContact OE1-N 2.87Å; E51-S53 PolarHBondContact OE1-OG 3.28Å; E51-S53 WeakPolarHBondContact OE2-CA 3.28Å; E51-S53 WeakPolarHBondContact OE2-CB 3.49Å; E51-S53 PolarHBondContact OE2-N 3.1Å; E51-S53 PolarHBondContact OE2-OG 3.13Å; E51-W54 PolarHBondContact O-N 3.08Å; E51-W54 PolarHBondContact OE2-N 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.43Å; E51-R55 PolarHBondContact O-N 3.11Å; E51-R55 VanDerWaalsContact O-N 3.08Å; E51-N96 PolarHBondContact N-OD1 3.33Å; E51-P99 HydrophobicContact CG-CB 4.02Å; E51-P99 HydrophobicContact CG-CG 3.87Å
52	D	94.1	Very high	95.4	Very high	87 Å²	87	34.9 Å²	34.9	47%	0.465	19%	0.191	S	C	.	.	H	α-helix	trans	-66.5	-40.3	-167	-73.5	-40.4	0	0	0	113.3	Y37 W54 R55 C56	Y37-D52 HydrophobicContact CE1-CB 4.37Å; Y37-D52 WeakPolarHBondContact CE1-OD1 3.02Å; Y37-D52 PolarHBondContact OH-OD1 3.48Å; D52-W54 PolarHBondContact O-N 3.4Å; D52-R55 PolarHBondContact O-N 3.48Å; D52-R55 VanDerWaalsContact O-N 3.16Å; D52-C56 WeakPolarHBondContact O-CB 3.26Å; D52-C56 PolarHBondContact O-N 3.46Å; D52-C56 PolarHBondContact O-SG 3.17Å
53	S	94.9	Very high	95.7	Very high	25 Å²	25	32.8 Å²	32.8	18%	0.175	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-32.9	-177.4	75.4	0	0	0	0	112	E51 L100	E51-S53 VanDerWaalsContact CD-N 3.33Å; E51-S53 PolarHBondContact O-N 3.18Å; E51-S53 WeakPolarHBondContact OE1-CB 3.44Å; E51-S53 PolarHBondContact OE1-N 2.87Å; E51-S53 PolarHBondContact OE1-OG 3.28Å; E51-S53 WeakPolarHBondContact OE2-CA 3.28Å; E51-S53 WeakPolarHBondContact OE2-CB 3.49Å; E51-S53 PolarHBondContact OE2-N 3.1Å; E51-S53 PolarHBondContact OE2-OG 3.13Å; S53-L100 VanDerWaalsContact OG-CB 3.27Å; S53-L100 WeakPolarHBondContact OG-CB 3.14Å; S53-L100 PolarHBondContact OG-N 3.11Å
54	W	97	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-73.6	-45.9	169.9	-70.6	115	0	0	0	113.2	L49 E51 D52 C56 R57 L58 L95 T98 L100 V103 L178 V206 T209 V210	L49-W54 HydrophobicContact CD1-CB 3.96Å; L49-W54 HydrophobicContact CD2-CB 4.2Å; L49-W54 HydrophobicContact CG-CB 4.48Å; E51-W54 PolarHBondContact O-N 3.08Å; E51-W54 PolarHBondContact OE2-N 3.28Å; D52-W54 PolarHBondContact O-N 3.4Å; W54-C56 PolarHBondContact O-N 2.97Å; W54-R57 PolarHBondContact O-N 2.9Å; W54-L58 HydrophobicContact CB-CD1 4.37Å; W54-L58 HydrophobicContact CD2-CD1 4.4Å; W54-L58 HydrophobicContact CE3-CD1 3.63Å; W54-L58 HydrophobicContact CE3-CG 4.31Å; W54-L58 HydrophobicContact CZ3-CD1 4.3Å; W54-L58 WeakPolarHBondContact O-CB 3.2Å; W54-L58 PolarHBondContact O-N 2.94Å; W54-L95 HydrophobicContact CD2-CB 4.43Å; W54-L95 HydrophobicContact CD2-CD2 3.97Å; W54-L95 HydrophobicContact CE3-CD2 4.23Å; W54-L95 HydrophobicContact CG-CB 4.1Å; W54-L95 HydrophobicContact CG-CD2 4.5Å; W54-L95 HydrophobicContact CH2-CD2 4.13Å; W54-L95 HydrophobicContact CZ2-CD2 3.91Å; W54-L95 HydrophobicContact CZ3-CD2 4.29Å; W54-L95 PolarHBondContact NE1-O 3.48Å; W54-L95 VanDerWaalsContact NE1-O 3.12Å; W54-T98 PolarHBondContact NE1-O 3.49Å; W54-L100 HydrophobicContact CD2-CB 3.96Å; W54-L100 HydrophobicContact CE3-CB 4.21Å; W54-L100 HydrophobicContact CE3-CD1 4.2Å; W54-L100 HydrophobicContact CG-CB 4.49Å; W54-L100 HydrophobicContact CH2-CB 4.37Å; W54-L100 HydrophobicContact CH2-CD1 3.54Å; W54-L100 HydrophobicContact CZ2-CB 4.07Å; W54-L100 HydrophobicContact CZ2-CD1 4.01Å; W54-L100 HydrophobicContact CZ3-CB 4.42Å; W54-L100 HydrophobicContact CZ3-CD1 3.64Å; W54-L100 HydrophobicContact CZ3-CG 4.44Å; W54-V103 HydrophobicContact CH2-CG2 4.48Å; W54-V103 HydrophobicContact CZ2-CG2 3.89Å; W54-L178 HydrophobicContact CH2-CD2 3.99Å; W54-L178 HydrophobicContact CZ2-CD1 4.4Å; W54-L178 HydrophobicContact CZ2-CD2 4.05Å; W54-V206 HydrophobicContact CH2-CG1 3.9Å; W54-V206 HydrophobicContact CZ3-CG1 3.85Å; W54-T209 HydrophobicContact CE3-CG2 4.29Å; W54-T209 HydrophobicContact CZ3-CG2 3.94Å; W54-V210 HydrophobicContact CH2-CG2 3.59Å; W54-V210 HydrophobicContact CZ3-CG2 4.3Å
55	R	95	Very high	96	Very high	35 Å²	35	38.4 Å²	38.4	13%	0.132	22%	0.217	C	C	.	.	H	α-helix	trans	-55.6	-42.7	177.3	-75.1	-177.6	161.9	162.7	1.6	111.6	Y37 L49 H50 E51 D52 R57 L58 S59	Y37-R55 HydrophobicContact CD1-CB 3.55Å; Y37-R55 HydrophobicContact CD2-CB 3.99Å; Y37-R55 HydrophobicContact CE1-CB 3.6Å; Y37-R55 HydrophobicContact CE1-CG 4.43Å; Y37-R55 HydrophobicContact CE2-CB 4.09Å; Y37-R55 VanDerWaalsContact CE2-CD 3.42Å; Y37-R55 HydrophobicContact CE2-CG 4.36Å; Y37-R55 HydrophobicContact CG-CB 3.73Å; Y37-R55 VanDerWaalsContact OH-CD 3.25Å; Y37-R55 WeakPolarHBondContact OH-CD 3.41Å; Y37-R55 PolarHBondContact OH-NH1 3.21Å; L49-R55 HydrophobicContact CD2-CG 4.2Å; L49-R55 HydrophobicContact CG-CG 4Å; L49-R55 PolarHBondContact O-NE 3.44Å; L49-R55 PolarHBondContact O-NH2 2.84Å; H50-R55 VanDerWaalsContact CA-NH2 3.34Å; E51-R55 WeakPolarHBondContact O-CG 3.43Å; E51-R55 PolarHBondContact O-N 3.11Å; E51-R55 VanDerWaalsContact O-N 3.08Å; D52-R55 PolarHBondContact O-N 3.48Å; D52-R55 VanDerWaalsContact O-N 3.16Å; R55-R57 PolarHBondContact O-N 3.2Å; R55-L58 PolarHBondContact O-N 3.2Å; R55-S59 VanDerWaalsContact O-CB 3.28Å; R55-S59 WeakPolarHBondContact O-CB 3.46Å; R55-S59 PolarHBondContact O-N 2.84Å; R55-S59 VanDerWaalsContact O-N 3.07Å; R55-S59 PolarHBondContact O-OG 2.82Å
56	C	92.9	Very high	96	Very high	37 Å²	37	40 Å²	40	25%	0.25	22%	0.224	C	C	.	.	H	α-helix	trans	-54.6	-23.5	174.9	-74.4	0	0	0	0	114.4	A35 D52 W54	A35-C56 HydrophobicContact CB-CB 3.97Å; A35-C56 PolarHBondContact O-SG 3.36Å; D52-C56 WeakPolarHBondContact O-CB 3.26Å; D52-C56 PolarHBondContact O-N 3.46Å; D52-C56 PolarHBondContact O-SG 3.17Å; W54-C56 PolarHBondContact O-N 2.97Å
57	R	94.2	Very high	96	Very high	35 Å²	35	40 Å²	40	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-114.3	-22.8	-175.3	-60.9	-60.3	-173.4	-93.5	0.4	114.2	E31 N32 W54 R55 L100 T209	E31-R57 PolarHBondContact O-NH2 2.97Å; E31-R57 VanDerWaalsContact O-NH2 3.17Å; N32-R57 PolarHBondContact OD1-NH2 3.34Å; W54-R57 PolarHBondContact O-N 2.9Å; R55-R57 PolarHBondContact O-N 3.2Å; R57-L100 HydrophobicContact CG-CD2 3.78Å; R57-T209 HydrophobicContact CB-CG2 3.61Å; R57-T209 HydrophobicContact CG-CG2 3.99Å
58	L	96.2	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-116	-11.9	-170.8	-62	177.6	0	0	0	114	L49 W54 R55 S60 E61 L95 F202 R205 V206	L49-L58 HydrophobicContact CD2-CB 4.32Å; W54-L58 HydrophobicContact CB-CD1 4.37Å; W54-L58 HydrophobicContact CD2-CD1 4.4Å; W54-L58 HydrophobicContact CE3-CD1 3.63Å; W54-L58 HydrophobicContact CE3-CG 4.31Å; W54-L58 HydrophobicContact CZ3-CD1 4.3Å; W54-L58 WeakPolarHBondContact O-CB 3.2Å; W54-L58 PolarHBondContact O-N 2.94Å; R55-L58 PolarHBondContact O-N 3.2Å; L58-S60 PolarHBondContact O-N 3.48Å; L58-S60 VanDerWaalsContact O-N 3.12Å; L58-E61 HydrophobicContact CD2-CG 4.32Å; L58-E61 VanDerWaalsContact O-CB 3.22Å; L58-E61 WeakPolarHBondContact O-CB 3.3Å; L58-E61 WeakPolarHBondContact O-CG 3.37Å; L58-E61 PolarHBondContact O-N 3.14Å; L58-L95 HydrophobicContact CD1-CD1 4.06Å; L58-F202 HydrophobicContact CD1-CZ 4.21Å; L58-R205 HydrophobicContact CD2-CG 3.87Å; L58-V206 HydrophobicContact CD1-CG2 3.86Å; L58-V206 HydrophobicContact CD2-CG2 4.46Å
59	S	94.3	Very high	96.2	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.049	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.2	-30.9	-175	-71.8	0	0	0	0	114.1	V38 R55 E61 F62	V38-S59 WeakPolarHBondContact O-CB 3.16Å; R55-S59 VanDerWaalsContact O-CB 3.28Å; R55-S59 WeakPolarHBondContact O-CB 3.46Å; R55-S59 PolarHBondContact O-N 2.84Å; R55-S59 VanDerWaalsContact O-N 3.07Å; R55-S59 PolarHBondContact O-OG 2.82Å; S59-E61 PolarHBondContact O-N 3.35Å; S59-F62 WeakPolarHBondContact O-CD2 3.48Å; S59-F62 PolarHBondContact O-N 3.3Å
60	S	94.5	Very high	96.2	Very high	77 Å²	77	42.6 Å²	42.6	54%	0.538	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-68.7	-19.6	175.5	60.5	0	0	0	0	113.7	L58 F62	L58-S60 PolarHBondContact O-N 3.48Å; L58-S60 VanDerWaalsContact O-N 3.12Å; S60-F62 VanDerWaalsContact C-N 3.29Å; S60-F62 PolarHBondContact O-N 3.43Å
61	E	97.3	Very high	96.3	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.023	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-66.3	-33.4	175.1	-60.4	-58.1	137.5	0	0	111.6	L58 S59 S63 K64 Y66 F67 F202 R205	L58-E61 HydrophobicContact CD2-CG 4.32Å; L58-E61 VanDerWaalsContact O-CB 3.22Å; L58-E61 WeakPolarHBondContact O-CB 3.3Å; L58-E61 WeakPolarHBondContact O-CG 3.37Å; L58-E61 PolarHBondContact O-N 3.14Å; S59-E61 PolarHBondContact O-N 3.35Å; E61-S63 PolarHBondContact O-N 3Å; E61-K64 WeakPolarHBondContact O-CB 3.44Å; E61-K64 PolarHBondContact O-N 3.22Å; E61-K64 WeakPolarHBondContact OE1-CE 3.33Å; E61-K64 IonicContact OE1-NZ 3.42Å; E61-K64 PolarHBondContact OE1-NZ 2.75Å; E61-K64 VanDerWaalsContact OE2-CD 3.29Å; E61-K64 WeakPolarHBondContact OE2-CD 3.29Å; E61-K64 WeakPolarHBondContact OE2-CE 3.29Å; E61-K64 IonicContact OE2-NZ 3.64Å; E61-K64 PolarHBondContact OE2-NZ 3.17Å; E61-Y66 PolarHBondContact OE2-OH 3.43Å; E61-F67 WeakPolarHBondContact O-CB 3.46Å; E61-F202 HydrophobicContact CB-CD2 3.99Å; E61-F202 HydrophobicContact CB-CE2 4.05Å; E61-F202 HydrophobicContact CG-CD2 4.39Å; E61-F202 HydrophobicContact CG-CE2 4.44Å; E61-R205 HydrophobicContact CG-CG 3.95Å; E61-R205 WeakPolarHBondContact OE1-CG 3.44Å; E61-R205 IonicContact OE1-NE 2.73Å
62	F	97	Very high	96.4	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.5	-21.4	-177.7	-58.7	-54.6	0	0	0	113.8	P40 A46 L49 S59 S60 F67 K68 F92 F202	P40-F62 HydrophobicContact CG-CB 4.02Å; A46-F62 HydrophobicContact CB-CB 3.93Å; A46-F62 HydrophobicContact CB-CD1 3.99Å; A46-F62 HydrophobicContact CB-CD2 3.35Å; A46-F62 HydrophobicContact CB-CE1 4.36Å; A46-F62 HydrophobicContact CB-CE2 3.78Å; A46-F62 HydrophobicContact CB-CG 3.49Å; A46-F62 VanDerWaalsContact CB-CG 3.49Å; A46-F62 HydrophobicContact CB-CZ 4.27Å; L49-F62 HydrophobicContact CB-CZ 4.03Å; L49-F62 HydrophobicContact CD2-CE2 4.01Å; L49-F62 HydrophobicContact CD2-CZ 3.72Å; S59-F62 WeakPolarHBondContact O-CD2 3.48Å; S59-F62 PolarHBondContact O-N 3.3Å; S60-F62 VanDerWaalsContact C-N 3.29Å; S60-F62 PolarHBondContact O-N 3.43Å; F62-F67 HydrophobicContact CB-CD1 4.47Å; F62-F67 AromaticContact CD1-CD1 3.91Å; F62-F67 HydrophobicContact CD1-CD1 3.91Å; F62-F67 HydrophobicContact CD1-CD2 4.2Å; F62-F67 AromaticContact CD1-CE1 3.48Å; F62-F67 HydrophobicContact CD1-CE1 3.48Å; F62-F67 VanDerWaalsContact CD1-CE1 3.48Å; F62-F67 AromaticContact CD1-CE2 3.77Å; F62-F67 HydrophobicContact CD1-CE2 3.77Å; F62-F67 HydrophobicContact CD1-CG 4.28Å; F62-F67 AromaticContact CD1-CZ 3.42Å; F62-F67 HydrophobicContact CD1-CZ 3.42Å; F62-F67 VanDerWaalsContact CD1-CZ 3.42Å; F62-F67 HydrophobicContact CE1-CE1 4.09Å; F62-F67 AromaticContact CE1-CE2 3.88Å; F62-F67 HydrophobicContact CE1-CE2 3.88Å; F62-F67 AromaticContact CE1-CZ 3.58Å; F62-F67 HydrophobicContact CE1-CZ 3.58Å; F62-K68 WeakPolarHBondContact O-CE 3.25Å; F62-F92 HydrophobicContact CE1-CE2 4.05Å; F62-F92 AromaticContact CE1-CZ 3.79Å; F62-F92 HydrophobicContact CE1-CZ 3.79Å; F62-F92 HydrophobicContact CZ-CE2 4.32Å; F62-F92 HydrophobicContact CZ-CZ 4.33Å; F62-F202 HydrophobicContact CE1-CE2 4.18Å; F62-F202 HydrophobicContact CE1-CZ 4.39Å
63	S	95.7	Very high	96.6	Very high	72 Å²	72	41.1 Å²	41.1	50%	0.503	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-91.3	-4.9	176	-56.9	0	0	0	0	113.5	P40 E61	P40-S63 VanDerWaalsContact CG-OG 3.26Å; P40-S63 WeakPolarHBondContact CG-OG 3.35Å; E61-S63 PolarHBondContact O-N 3Å
64	K	97.2	Very high	96.8	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	21%	0.212	S	C	.	.	S	Bend	trans	-78.4	149.7	-176.9	-69.4	179.7	-177.1	176.7	0	111.7	E61 Y66 F67 K68	E61-K64 WeakPolarHBondContact O-CB 3.44Å; E61-K64 PolarHBondContact O-N 3.22Å; E61-K64 WeakPolarHBondContact OE1-CE 3.33Å; E61-K64 IonicContact OE1-NZ 3.42Å; E61-K64 PolarHBondContact OE1-NZ 2.75Å; E61-K64 VanDerWaalsContact OE2-CD 3.29Å; E61-K64 WeakPolarHBondContact OE2-CD 3.29Å; E61-K64 WeakPolarHBondContact OE2-CE 3.29Å; E61-K64 IonicContact OE2-NZ 3.64Å; E61-K64 PolarHBondContact OE2-NZ 3.17Å; K64-Y66 VanDerWaalsContact C-N 3.35Å; K64-Y66 HydrophobicContact CB-CD1 3.79Å; K64-Y66 HydrophobicContact CB-CE1 3.72Å; K64-Y66 HydrophobicContact CD-CD1 4.3Å; K64-Y66 HydrophobicContact CD-CE1 3.63Å; K64-Y66 HydrophobicContact CG-CE1 4.34Å; K64-Y66 PolarHBondContact O-N 2.95Å; K64-F67 PolarHBondContact O-N 3.31Å; K64-K68 PolarHBondContact O-N 2.94Å; K64-K68 VanDerWaalsContact O-N 3.11Å
65	P	97.6	Very high	96.9	Very high	99 Å²	99	41.8 Å²	41.8	64%	0.643	23%	0.228	S	C	*	.	H	α-helix	trans	-52.7	-47	-178.1	-29.1	35.4	0	0	0	114	F67 K68 E69	P65-F67 PolarHBondContact O-N 3.03Å; P65-K68 PolarHBondContact O-N 3.36Å; P65-E69 WeakPolarHBondContact O-CG 3.49Å; P65-E69 PolarHBondContact O-N 3.36Å
66	Y	97.9	Very high	97	Very high	34 Å²	34	42.1 Å²	42.1	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-31.4	179.9	82.9	-97	0	0	0	112.5	E61 K64 I70 T201 F202	E61-Y66 PolarHBondContact OE2-OH 3.43Å; K64-Y66 VanDerWaalsContact C-N 3.35Å; K64-Y66 HydrophobicContact CB-CD1 3.79Å; K64-Y66 HydrophobicContact CB-CE1 3.72Å; K64-Y66 HydrophobicContact CD-CD1 4.3Å; K64-Y66 HydrophobicContact CD-CE1 3.63Å; K64-Y66 HydrophobicContact CG-CE1 4.34Å; K64-Y66 PolarHBondContact O-N 2.95Å; Y66-I70 HydrophobicContact CD2-CD1 4.17Å; Y66-I70 HydrophobicContact CE2-CD1 4.31Å; Y66-I70 WeakPolarHBondContact O-CG1 3.23Å; Y66-I70 PolarHBondContact O-N 3.27Å; Y66-T201 HydrophobicContact CD1-CG2 3.78Å; Y66-T201 HydrophobicContact CD2-CG2 3.91Å; Y66-T201 HydrophobicContact CE1-CG2 3.68Å; Y66-T201 HydrophobicContact CE2-CG2 3.87Å; Y66-T201 HydrophobicContact CG-CG2 3.89Å; Y66-F202 HydrophobicContact CE2-CB 3.94Å
67	F	98.4	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-77.9	-39.3	-179.8	-159.9	-76.4	0	0	0	110.5	L45 E61 F62 K64 P65 E69 I70 E71 F92 W199 F202	L45-F67 HydrophobicContact CB-CE1 4.12Å; L45-F67 HydrophobicContact CB-CZ 4.27Å; L45-F67 HydrophobicContact CD1-CE1 4.11Å; L45-F67 HydrophobicContact CD1-CZ 4.11Å; E61-F67 WeakPolarHBondContact O-CB 3.46Å; F62-F67 HydrophobicContact CB-CD1 4.47Å; F62-F67 AromaticContact CD1-CD1 3.91Å; F62-F67 HydrophobicContact CD1-CD1 3.91Å; F62-F67 HydrophobicContact CD1-CD2 4.2Å; F62-F67 AromaticContact CD1-CE1 3.48Å; F62-F67 HydrophobicContact CD1-CE1 3.48Å; F62-F67 VanDerWaalsContact CD1-CE1 3.48Å; F62-F67 AromaticContact CD1-CE2 3.77Å; F62-F67 HydrophobicContact CD1-CE2 3.77Å; F62-F67 HydrophobicContact CD1-CG 4.28Å; F62-F67 AromaticContact CD1-CZ 3.42Å; F62-F67 HydrophobicContact CD1-CZ 3.42Å; F62-F67 VanDerWaalsContact CD1-CZ 3.42Å; F62-F67 HydrophobicContact CE1-CE1 4.09Å; F62-F67 AromaticContact CE1-CE2 3.88Å; F62-F67 HydrophobicContact CE1-CE2 3.88Å; F62-F67 AromaticContact CE1-CZ 3.58Å; F62-F67 HydrophobicContact CE1-CZ 3.58Å; K64-F67 PolarHBondContact O-N 3.31Å; P65-F67 PolarHBondContact O-N 3.03Å; F67-E69 PolarHBondContact O-N 2.96Å; F67-I70 HydrophobicContact CD2-CD1 4.17Å; F67-I70 HydrophobicContact CE2-CD1 4.43Å; F67-I70 WeakPolarHBondContact O-CB 3.22Å; F67-I70 PolarHBondContact O-N 3.37Å; F67-E71 HydrophobicContact CD1-CG 3.86Å; F67-E71 HydrophobicContact CE1-CG 3.69Å; F67-E71 WeakPolarHBondContact O-CG 3.29Å; F67-E71 PolarHBondContact O-N 3.31Å; F67-F92 HydrophobicContact CZ-CZ 4.01Å; F67-W199 AromaticContact CE2-CZ3 3.97Å; F67-W199 HydrophobicContact CE2-CZ3 3.97Å; F67-W199 HydrophobicContact CZ-CH2 4.34Å; F67-W199 HydrophobicContact CZ-CZ3 4.15Å; F67-F202 HydrophobicContact CD2-CB 4.4Å; F67-F202 AromaticContact CD2-CD2 3.75Å; F67-F202 HydrophobicContact CD2-CD2 3.75Å; F67-F202 HydrophobicContact CD2-CE2 4.35Å; F67-F202 HydrophobicContact CD2-CG 4.24Å; F67-F202 HydrophobicContact CE2-CB 4.4Å; F67-F202 HydrophobicContact CE2-CD1 4.5Å; F67-F202 AromaticContact CE2-CD2 3.57Å; F67-F202 HydrophobicContact CE2-CD2 3.57Å; F67-F202 AromaticContact CE2-CE2 3.88Å; F67-F202 HydrophobicContact CE2-CE2 3.88Å; F67-F202 AromaticContact CE2-CG 3.91Å; F67-F202 HydrophobicContact CE2-CG 3.91Å; F67-F202 HydrophobicContact CE2-CZ 4.47Å
68	K	97.7	Very high	97.5	Very high	40 Å²	40	42 Å²	42	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-34.3	171.8	-64.3	-62.6	-179.6	177.9	0	112.2	D42 F62 K64 P65 E71 N72	D42-K68 IonicContact OD1-NZ 3.7Å; D42-K68 PolarHBondContact OD1-NZ 3.12Å; D42-K68 WeakPolarHBondContact OD2-CE 3.3Å; D42-K68 IonicContact OD2-NZ 3.84Å; D42-K68 PolarHBondContact OD2-NZ 3.48Å; F62-K68 WeakPolarHBondContact O-CE 3.25Å; K64-K68 PolarHBondContact O-N 2.94Å; K64-K68 VanDerWaalsContact O-N 3.11Å; P65-K68 PolarHBondContact O-N 3.36Å; K68-E71 IonicContact NZ-OE2 2.95Å; K68-E71 PolarHBondContact NZ-OE2 3.28Å; K68-E71 PolarHBondContact O-N 3.44Å; K68-N72 WeakPolarHBondContact O-CB 3.42Å; K68-N72 PolarHBondContact O-N 3.28Å; K68-N72 PolarHBondContact O-ND2 3.02Å
69	E	98.1	Very high	97.5	Very high	119 Å²	119	51 Å²	51	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-61.8	-43.3	171.2	-71	171.5	-171.9	0	0	112.5	P65 F67 E71 N72 F73	P65-E69 WeakPolarHBondContact O-CG 3.49Å; P65-E69 PolarHBondContact O-N 3.36Å; F67-E69 PolarHBondContact O-N 2.96Å; E69-E71 PolarHBondContact O-N 3.42Å; E69-N72 PolarHBondContact O-N 3.06Å; E69-F73 WeakPolarHBondContact O-CB 3.43Å; E69-F73 PolarHBondContact O-N 3.07Å
70	I	98.7	Very high	97.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-48.6	173.9	-62.2	164.9	0	0	0	110.4	L45 Y66 F67 F73 L74 I197 W199	L45-I70 HydrophobicContact CD1-CG2 4.33Å; Y66-I70 HydrophobicContact CD2-CD1 4.17Å; Y66-I70 HydrophobicContact CE2-CD1 4.31Å; Y66-I70 WeakPolarHBondContact O-CG1 3.23Å; Y66-I70 PolarHBondContact O-N 3.27Å; F67-I70 HydrophobicContact CD2-CD1 4.17Å; F67-I70 HydrophobicContact CE2-CD1 4.43Å; F67-I70 WeakPolarHBondContact O-CB 3.22Å; F67-I70 PolarHBondContact O-N 3.37Å; I70-F73 PolarHBondContact O-N 3.1Å; I70-L74 HydrophobicContact CG2-CD1 3.86Å; I70-L74 HydrophobicContact CG2-CG 4.49Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 3.31Å; I70-I197 HydrophobicContact CG1-CG1 4.38Å; I70-I197 WeakPolarHBondContact CG1-O 3.41Å; I70-I197 HydrophobicContact CG2-CD1 4.23Å; I70-W199 HydrophobicContact CD1-CD2 4.02Å; I70-W199 HydrophobicContact CD1-CE3 3.8Å; I70-W199 HydrophobicContact CD1-CG 4.45Å; I70-W199 HydrophobicContact CD1-CZ3 4.2Å; I70-W199 HydrophobicContact CG2-CD2 3.97Å; I70-W199 VanDerWaalsContact CG2-CE2 3.49Å; I70-W199 HydrophobicContact CG2-CE3 4.29Å; I70-W199 HydrophobicContact CG2-CH2 3.75Å; I70-W199 HydrophobicContact CG2-CZ2 3.41Å; I70-W199 VanDerWaalsContact CG2-CZ2 3.41Å; I70-W199 HydrophobicContact CG2-CZ3 4.17Å
71	E	98.4	Very high	97.8	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-44.9	-178.6	-63	-166.7	129.7	0	0	112	S43 L44 L45 F67 K68 E69 F73 L74 A75	S43-E71 PolarHBondContact OG-OE1 2.92Å; L44-E71 HydrophobicContact CB-CB 4.33Å; L44-E71 HydrophobicContact CB-CG 4.38Å; L44-E71 PolarHBondContact N-OE1 2.87Å; L45-E71 HydrophobicContact CD1-CG 4.08Å; L45-E71 HydrophobicContact CG-CG 4.04Å; L45-E71 PolarHBondContact N-OE1 3.06Å; F67-E71 HydrophobicContact CD1-CG 3.86Å; F67-E71 HydrophobicContact CE1-CG 3.69Å; F67-E71 WeakPolarHBondContact O-CG 3.29Å; F67-E71 PolarHBondContact O-N 3.31Å; K68-E71 IonicContact NZ-OE2 2.95Å; K68-E71 PolarHBondContact NZ-OE2 3.28Å; K68-E71 PolarHBondContact O-N 3.44Å; E69-E71 PolarHBondContact O-N 3.42Å; E71-F73 PolarHBondContact O-N 2.99Å; E71-L74 PolarHBondContact O-N 3.11Å; E71-A75 VanDerWaalsContact O-CB 3.26Å; E71-A75 WeakPolarHBondContact O-CB 3.47Å; E71-A75 PolarHBondContact O-N 3.04Å
72	N	98.3	Very high	97.7	Very high	112 Å²	112	59.6 Å²	59.6	60%	0.599	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-43.4	177.5	-73.3	-23.9	0	0	0	111.7	K68 E69 A75 A76	K68-N72 WeakPolarHBondContact O-CB 3.42Å; K68-N72 PolarHBondContact O-N 3.28Å; K68-N72 PolarHBondContact O-ND2 3.02Å; E69-N72 PolarHBondContact O-N 3.06Å; N72-A75 PolarHBondContact O-N 3.35Å; N72-A76 WeakPolarHBondContact O-CB 3.12Å; N72-A76 PolarHBondContact O-N 3.25Å
73	F	98.6	Very high	97.6	Very high	78 Å²	78	62.8 Å²	62.8	34%	0.342	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-48.3	176.8	-178.7	-83.5	0	0	0	111.4	E69 I70 E71 A76 A77 H194 I197	E69-F73 WeakPolarHBondContact O-CB 3.43Å; E69-F73 PolarHBondContact O-N 3.07Å; I70-F73 PolarHBondContact O-N 3.1Å; E71-F73 PolarHBondContact O-N 2.99Å; F73-A76 PolarHBondContact O-N 2.93Å; F73-A77 WeakPolarHBondContact O-CB 3.44Å; F73-A77 PolarHBondContact O-N 3.42Å; F73-H194 AromaticContact CE1-CD2 3.58Å; F73-H194 AromaticContact CE1-NE2 3.54Å; F73-I197 HydrophobicContact CB-CD1 4.46Å; F73-I197 HydrophobicContact CD1-CB 4.44Å; F73-I197 HydrophobicContact CD1-CD1 3.58Å; F73-I197 HydrophobicContact CD1-CG2 3.95Å; F73-I197 HydrophobicContact CD2-CG2 3.83Å; F73-I197 HydrophobicContact CE1-CD1 4.09Å; F73-I197 HydrophobicContact CE1-CG2 3.97Å; F73-I197 HydrophobicContact CE2-CG2 3.83Å; F73-I197 HydrophobicContact CG-CB 4.29Å; F73-I197 HydrophobicContact CG-CD1 4.14Å; F73-I197 HydrophobicContact CG-CG2 3.89Å; F73-I197 HydrophobicContact CZ-CG2 3.9Å
74	L	98.6	Very high	97.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.8	-39.5	-179.2	-67.6	173.6	0	0	0	112.2	L45 I70 E71 A76 A77 W78 I84 T185 I197 W199	L45-L74 HydrophobicContact CD1-CD1 3.94Å; I70-L74 HydrophobicContact CG2-CD1 3.86Å; I70-L74 HydrophobicContact CG2-CG 4.49Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 3.31Å; E71-L74 PolarHBondContact O-N 3.11Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 2.83Å; L74-A77 PolarHBondContact O-N 3.23Å; L74-W78 HydrophobicContact CB-CD2 4.49Å; L74-W78 HydrophobicContact CB-CE3 4.18Å; L74-W78 HydrophobicContact CB-CH2 3.87Å; L74-W78 HydrophobicContact CB-CZ2 4.19Å; L74-W78 HydrophobicContact CB-CZ3 3.87Å; L74-W78 HydrophobicContact CD1-CH2 4.31Å; L74-W78 WeakPolarHBondContact O-CB 3.49Å; L74-W78 VanDerWaalsContact O-CG 3.31Å; L74-W78 PolarHBondContact O-N 3.49Å; L74-I84 HydrophobicContact CD2-CG2 4.17Å; L74-T185 HydrophobicContact CD1-CG2 4.38Å; L74-I197 HydrophobicContact CD2-CD1 4.41Å; L74-I197 HydrophobicContact CG-CD1 4.44Å; L74-W199 HydrophobicContact CD1-CZ2 3.83Å
75	A	98.2	Very high	97.5	Very high	40 Å²	40	56.3 Å²	56.3	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-44.4	173.8	0	0	0	0	0	111.7	L44 E71 N72 W78 K79	L44-A75 HydrophobicContact CD2-CB 3.92Å; E71-A75 VanDerWaalsContact O-CB 3.26Å; E71-A75 WeakPolarHBondContact O-CB 3.47Å; E71-A75 PolarHBondContact O-N 3.04Å; N72-A75 PolarHBondContact O-N 3.35Å; A75-W78 PolarHBondContact O-N 3.11Å; A75-K79 WeakPolarHBondContact O-CB 3.45Å; A75-K79 PolarHBondContact O-N 3.28Å
76	A	98.5	Very high	97.4	Very high	42 Å²	42	51.7 Å²	51.7	35%	0.347	27%	0.272	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176	0	0	0	0	0	111.9	N72 F73 L74 K79 Q80	N72-A76 WeakPolarHBondContact O-CB 3.12Å; N72-A76 PolarHBondContact O-N 3.25Å; F73-A76 PolarHBondContact O-N 2.93Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 2.83Å; A76-K79 PolarHBondContact O-N 3.12Å; A76-Q80 VanDerWaalsContact O-CG 3.27Å; A76-Q80 WeakPolarHBondContact O-CG 3.44Å; A76-Q80 PolarHBondContact O-N 3.22Å
77	A	98.1	Very high	97.2	Very high	3 Å²	3	52.9 Å²	52.9	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-46.5	177.1	0	0	0	0	0	111.9	F73 L74 Q80 G81 K82 I84	F73-A77 WeakPolarHBondContact O-CB 3.44Å; F73-A77 PolarHBondContact O-N 3.42Å; L74-A77 PolarHBondContact O-N 3.23Å; A77-Q80 PolarHBondContact O-N 3.32Å; A77-G81 PolarHBondContact O-N 3.45Å; A77-K82 HydrophobicContact CB-CB 4.23Å; A77-K82 HydrophobicContact CB-CD 3.87Å; A77-K82 VanDerWaalsContact O-CB 3.3Å; A77-K82 WeakPolarHBondContact O-CB 3.46Å; A77-K82 PolarHBondContact O-N 3.45Å; A77-I84 HydrophobicContact CB-CD1 4.31Å; A77-I84 HydrophobicContact CB-CG1 4.46Å
78	W	97.5	Very high	97.1	Very high	66 Å²	66	58 Å²	58	25%	0.25	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-39.2	176.5	-67	-37.9	0	0	0	112.6	L44 L45 L74 A75 Q80 G81 R88 I91	L44-W78 HydrophobicContact CD2-CE3 4.1Å; L44-W78 HydrophobicContact CD2-CZ3 3.55Å; L44-W78 HydrophobicContact CG-CZ3 4.22Å; L45-W78 HydrophobicContact CD2-CH2 3.92Å; L45-W78 HydrophobicContact CD2-CZ3 4.34Å; L74-W78 HydrophobicContact CB-CD2 4.49Å; L74-W78 HydrophobicContact CB-CE3 4.18Å; L74-W78 HydrophobicContact CB-CH2 3.87Å; L74-W78 HydrophobicContact CB-CZ2 4.19Å; L74-W78 HydrophobicContact CB-CZ3 3.87Å; L74-W78 HydrophobicContact CD1-CH2 4.31Å; L74-W78 WeakPolarHBondContact O-CB 3.49Å; L74-W78 VanDerWaalsContact O-CG 3.31Å; L74-W78 PolarHBondContact O-N 3.49Å; A75-W78 PolarHBondContact O-N 3.11Å; W78-Q80 PolarHBondContact O-N 3.01Å; W78-G81 PolarHBondContact O-N 3.09Å; W78-R88 HydrophobicContact CH2-CB 4.27Å; W78-R88 HydrophobicContact CH2-CG 3.75Å; W78-R88 HydrophobicContact CZ2-CB 4.07Å; W78-R88 HydrophobicContact CZ2-CG 4.08Å; W78-R88 HydrophobicContact CZ3-CG 4.42Å; W78-I91 HydrophobicContact CH2-CD1 4.23Å; W78-I91 HydrophobicContact CZ2-CD1 4.32Å
79	K	97.9	Very high	97	Very high	190 Å²	190	63.5 Å²	63.5	83%	0.826	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-30.8	174.4	-174.3	178	179.2	-179.3	0	112.5	A75 A76 G81	A75-K79 WeakPolarHBondContact O-CB 3.45Å; A75-K79 PolarHBondContact O-N 3.28Å; A76-K79 PolarHBondContact O-N 3.12Å; K79-G81 PolarHBondContact O-N 3.24Å
80	Q	98	Very high	96.9	Very high	136 Å²	136	59.3 Å²	59.3	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	1.2	174.8	-68.2	168.6	27.4	0	0	113.3	A76 A77 W78 K82	A76-Q80 VanDerWaalsContact O-CG 3.27Å; A76-Q80 WeakPolarHBondContact O-CG 3.44Å; A76-Q80 PolarHBondContact O-N 3.22Å; A77-Q80 PolarHBondContact O-N 3.32Å; W78-Q80 PolarHBondContact O-N 3.01Å; Q80-K82 VanDerWaalsContact C-N 3.3Å; Q80-K82 HydrophobicContact CB-CG 4.3Å; Q80-K82 PolarHBondContact O-N 2.84Å
81	G	96.7	Very high	96.9	Very high	63 Å²	63	59.5 Å²	59.5	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	15	-178.3	0	0	0	0	0	114.2	A77 W78 K79	A77-G81 PolarHBondContact O-N 3.45Å; W78-G81 PolarHBondContact O-N 3.09Å; K79-G81 PolarHBondContact O-N 3.24Å
82	K	95.8	Very high	96.9	Very high	70 Å²	70	59.1 Å²	59.1	30%	0.304	30%	0.298	S	S	.	.			trans	-68.8	137.8	176.7	-64.3	-178.9	161.3	-150.8	0	110.9	A77 Q80 I84 E187	A77-K82 HydrophobicContact CB-CB 4.23Å; A77-K82 HydrophobicContact CB-CD 3.87Å; A77-K82 VanDerWaalsContact O-CB 3.3Å; A77-K82 WeakPolarHBondContact O-CB 3.46Å; A77-K82 PolarHBondContact O-N 3.45Å; Q80-K82 VanDerWaalsContact C-N 3.3Å; Q80-K82 HydrophobicContact CB-CG 4.3Å; Q80-K82 PolarHBondContact O-N 2.84Å; K82-I84 HydrophobicContact CB-CD1 4.22Å; K82-E187 WeakPolarHBondContact CD-OE1 3.2Å; K82-E187 WeakPolarHBondContact CE-OE1 3.32Å; K82-E187 IonicContact NZ-OE1 3.07Å; K82-E187 PolarHBondContact NZ-OE1 2.8Å; K82-E187 IonicContact NZ-OE2 2.89Å; K82-E187 PolarHBondContact NZ-OE2 2.83Å
83	V	94.2	Very high	97	Very high	68 Å²	68	54.3 Å²	54.3	41%	0.412	27%	0.274	S	S	.	.			trans	-87.2	119	174.3	-178.2	0	0	0	0	109.1	F85 K188	V83-F85 HydrophobicContact CG1-CD1 4.36Å; V83-F85 HydrophobicContact CG1-CE1 3.67Å; V83-F85 HydrophobicContact CG1-CZ 3.81Å; V83-K188 HydrophobicContact CB-CB 3.84Å; V83-K188 HydrophobicContact CB-CD 3.95Å; V83-K188 HydrophobicContact CG1-CB 4.06Å; V83-K188 HydrophobicContact CG1-CD 3.99Å; V83-K188 HydrophobicContact CG2-CD 4.3Å; V83-K188 WeakPolarHBondContact O-CB 3.21Å; V83-K188 PolarHBondContact O-N 3.05Å
84	I	95.3	Very high	97	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136	-179.2	-55.6	-50.2	0	0	0	109.5	L74 A77 K82 T185 V186 E187	L74-I84 HydrophobicContact CD2-CG2 4.17Å; A77-I84 HydrophobicContact CB-CD1 4.31Å; A77-I84 HydrophobicContact CB-CG1 4.46Å; K82-I84 HydrophobicContact CB-CD1 4.22Å; I84-T185 HydrophobicContact CG2-CG2 4.15Å; I84-V186 CarbonylContact C-O 3.55Å; I84-V186 WeakPolarHBondContact CA-O 3.23Å; I84-V186 WeakPolarHBondContact CG2-O 3.38Å; I84-E187 HydrophobicContact CD1-CB 3.88Å; I84-E187 HydrophobicContact CD1-CG 4.09Å
85	F	95.3	Very high	97	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.8	175.3	-59.3	-46.1	0	0	0	112.1	V83 H114 P116 A128 T185 V186 K188	V83-F85 HydrophobicContact CG1-CD1 4.36Å; V83-F85 HydrophobicContact CG1-CE1 3.67Å; V83-F85 HydrophobicContact CG1-CZ 3.81Å; F85-H114 WeakPolarHBondContact CE2-O 3.27Å; F85-P116 HydrophobicContact CZ-CB 4.49Å; F85-A128 HydrophobicContact CD1-CB 3.26Å; F85-A128 HydrophobicContact CE1-CB 3.48Å; F85-A128 VanDerWaalsContact CE1-CB 3.48Å; F85-A128 HydrophobicContact CG-CB 4.15Å; F85-T185 CarbonylContact O-C 3.48Å; F85-T185 WeakPolarHBondContact O-CA 3.38Å; F85-V186 HydrophobicContact CB-CG1 3.99Å; F85-V186 PolarHBondContact N-O 2.86Å; F85-V186 PolarHBondContact O-N 3.05Å; F85-K188 HydrophobicContact CD2-CB 4.37Å; F85-K188 HydrophobicContact CE2-CB 3.7Å; F85-K188 HydrophobicContact CE2-CD 4.4Å; F85-K188 HydrophobicContact CE2-CG 3.8Å; F85-K188 HydrophobicContact CZ-CB 4.15Å; F85-K188 HydrophobicContact CZ-CD 4.16Å; F85-K188 HydrophobicContact CZ-CG 4.09Å
86	P	95.6	Very high	97	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.249	C	C	.	.	S	Bend	cis	-65.4	173.3	-12.1	37	-39.6	0	0	0	110.1	N90 A130 L184	P86-N90 HydrophobicContact CB-CB 4Å; P86-N90 HydrophobicContact CG-CB 4.25Å; P86-A130 HydrophobicContact CB-CB 4.37Å; P86-A130 WeakPolarHBondContact CB-O 3.2Å; P86-L184 WeakPolarHBondContact CD-O 3.36Å
87	E	93.9	Very high	97	Very high	60 Å²	60	50.6 Å²	50.6	28%	0.28	25%	0.246	S	C	.	.			trans	-51.8	146.8	171.4	-66.6	179	142.5	0	0	110.9	R89 N90 A128	E87-R89 PolarHBondContact O-N 2.91Å; E87-R89 IonicContact OE1-NH1 3.59Å; E87-R89 IonicContact OE1-NH2 2.81Å; E87-R89 IonicContact OE2-CZ 3.87Å; E87-R89 IonicContact OE2-NE 3.24Å; E87-R89 IonicContact OE2-NH1 3.49Å; E87-R89 PolarHBondContact OE2-NH1 3.03Å; E87-R89 IonicContact OE2-NH2 2.65Å; E87-R89 PolarHBondContact OE2-NH2 2.97Å; E87-N90 WeakPolarHBondContact O-CA 3.26Å; E87-N90 WeakPolarHBondContact O-CB 3.48Å; E87-N90 PolarHBondContact O-N 2.79Å; E87-A128 HydrophobicContact CG-CB 4.36Å
88	R	95.3	Very high	97	Very high	106 Å²	106	50.5 Å²	50.5	40%	0.4	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-47.2	-45.6	-173	-179.3	174.4	172.3	-166.7	-8.9	113.1	L44 L48 W78 N90 I91	L44-R88 PolarHBondContact O-NH2 3.03Å; L48-R88 HydrophobicContact CD1-CG 3.78Å; L48-R88 WeakPolarHBondContact CD1-O 3.17Å; W78-R88 HydrophobicContact CH2-CB 4.27Å; W78-R88 HydrophobicContact CH2-CG 3.75Å; W78-R88 HydrophobicContact CZ2-CB 4.07Å; W78-R88 HydrophobicContact CZ2-CG 4.08Å; W78-R88 HydrophobicContact CZ3-CG 4.42Å; R88-N90 PolarHBondContact O-N 3.1Å; R88-N90 VanDerWaalsContact O-N 3.1Å; R88-I91 HydrophobicContact CG-CD1 4.3Å; R88-I91 VanDerWaalsContact O-CG1 3.31Å; R88-I91 WeakPolarHBondContact O-CG1 3.46Å; R88-I91 PolarHBondContact O-N 3.45Å
89	R	95.7	Very high	97.1	Very high	156 Å²	156	48.3 Å²	48.3	59%	0.589	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.3	-19.1	180	68	178.3	-177.9	-81.3	-4.6	115	E87	E87-R89 PolarHBondContact O-N 2.91Å; E87-R89 IonicContact OE1-NH1 3.59Å; E87-R89 IonicContact OE1-NH2 2.81Å; E87-R89 IonicContact OE2-CZ 3.87Å; E87-R89 IonicContact OE2-NE 3.24Å; E87-R89 IonicContact OE2-NH1 3.49Å; E87-R89 PolarHBondContact OE2-NH1 3.03Å; E87-R89 IonicContact OE2-NH2 2.65Å; E87-R89 PolarHBondContact OE2-NH2 2.97Å
90	N	97.3	Very high	97.1	Very high	31 Å²	31	39.3 Å²	39.3	17%	0.166	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-102.9	2.7	-176.1	-63.3	-32.5	0	0	0	113.3	P86 E87 R88 F92 A93 G132	P86-N90 HydrophobicContact CB-CB 4Å; P86-N90 HydrophobicContact CG-CB 4.25Å; E87-N90 WeakPolarHBondContact O-CA 3.26Å; E87-N90 WeakPolarHBondContact O-CB 3.48Å; E87-N90 PolarHBondContact O-N 2.79Å; R88-N90 PolarHBondContact O-N 3.1Å; R88-N90 VanDerWaalsContact O-N 3.1Å; N90-F92 PolarHBondContact O-N 3.49Å; N90-A93 HydrophobicContact CB-CB 4.34Å; N90-A93 VanDerWaalsContact O-CB 3.29Å; N90-A93 WeakPolarHBondContact O-CB 3.49Å; N90-A93 PolarHBondContact O-N 3.01Å; N90-G132 WeakPolarHBondContact O-CA 3.21Å
91	I	98.5	Very high	96.9	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.3	-178.7	-71.2	172.8	0	0	0	112	L45 W78 R88 L184 T185 W199	L45-I91 HydrophobicContact CD2-CD1 3.96Å; W78-I91 HydrophobicContact CH2-CD1 4.23Å; W78-I91 HydrophobicContact CZ2-CD1 4.32Å; R88-I91 HydrophobicContact CG-CD1 4.3Å; R88-I91 VanDerWaalsContact O-CG1 3.31Å; R88-I91 WeakPolarHBondContact O-CG1 3.46Å; R88-I91 PolarHBondContact O-N 3.45Å; I91-L184 HydrophobicContact CG2-CB 4.26Å; I91-L184 HydrophobicContact CG2-CD1 4.46Å; I91-T185 HydrophobicContact CD1-CG2 3.82Å; I91-T185 HydrophobicContact CG1-CG2 3.75Å; I91-T185 HydrophobicContact CG2-CG2 4.42Å; I91-W199 HydrophobicContact CG2-CH2 3.81Å; I91-W199 HydrophobicContact CG2-CZ2 4.12Å
92	F	98.7	Very high	96.9	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	20.3	177.9	-60.2	-53.9	0	0	0	113.9	L45 L48 L49 F62 F67 N90 A94 L95 N96 L184 W199 F202	L45-F92 HydrophobicContact CB-CE2 4.03Å; L45-F92 HydrophobicContact CB-CZ 4.37Å; L45-F92 WeakPolarHBondContact O-CE2 3.46Å; L48-F92 HydrophobicContact CB-CD2 3.85Å; L48-F92 HydrophobicContact CB-CE2 4.34Å; L49-F92 HydrophobicContact CB-CB 4.31Å; L49-F92 HydrophobicContact CB-CD2 3.74Å; L49-F92 HydrophobicContact CB-CE2 4.28Å; L49-F92 HydrophobicContact CB-CG 4.1Å; L49-F92 HydrophobicContact CD1-CB 4.22Å; F62-F92 HydrophobicContact CE1-CE2 4.05Å; F62-F92 AromaticContact CE1-CZ 3.79Å; F62-F92 HydrophobicContact CE1-CZ 3.79Å; F62-F92 HydrophobicContact CZ-CE2 4.32Å; F62-F92 HydrophobicContact CZ-CZ 4.33Å; F67-F92 HydrophobicContact CZ-CZ 4.01Å; N90-F92 PolarHBondContact O-N 3.49Å; F92-A94 VanDerWaalsContact C-N 3.26Å; F92-A94 PolarHBondContact O-N 2.87Å; F92-L95 HydrophobicContact CD1-CD1 4.05Å; F92-L95 PolarHBondContact O-N 3.28Å; F92-N96 PolarHBondContact O-N 2.62Å; F92-N96 PolarHBondContact O-ND2 3.49Å; F92-L184 HydrophobicContact CD1-CD1 3.91Å; F92-L184 HydrophobicContact CE1-CD1 3.71Å; F92-W199 HydrophobicContact CE1-CH2 4.42Å; F92-W199 HydrophobicContact CE1-CZ3 4.23Å; F92-W199 HydrophobicContact CZ-CH2 4.38Å; F92-W199 HydrophobicContact CZ-CZ3 4.44Å; F92-F202 HydrophobicContact CD1-CE1 4.14Å; F92-F202 HydrophobicContact CD1-CZ 4.44Å; F92-F202 HydrophobicContact CE1-CD1 4.35Å; F92-F202 AromaticContact CE1-CE1 3.5Å; F92-F202 HydrophobicContact CE1-CE1 3.5Å; F92-F202 AromaticContact CE1-CZ 3.76Å; F92-F202 HydrophobicContact CE1-CZ 3.76Å; F92-F202 HydrophobicContact CZ-CE1 4.41Å; F92-F202 HydrophobicContact CZ-CZ 4.34Å
93	A	98.6	Very high	97	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-54.6	-40.8	-177.5	0	0	0	0	0	112.7	N90 L95 N96 L97 H131	N90-A93 HydrophobicContact CB-CB 4.34Å; N90-A93 VanDerWaalsContact O-CB 3.29Å; N90-A93 WeakPolarHBondContact O-CB 3.49Å; N90-A93 PolarHBondContact O-N 3.01Å; A93-L95 VanDerWaalsContact C-N 3.33Å; A93-L95 PolarHBondContact O-N 3.03Å; A93-N96 PolarHBondContact O-N 3.1Å; A93-L97 HydrophobicContact CB-CD1 4.45Å; A93-L97 VanDerWaalsContact O-CB 3.27Å; A93-L97 WeakPolarHBondContact O-CB 3.25Å; A93-L97 VanDerWaalsContact O-CG 3.31Å; A93-L97 WeakPolarHBondContact O-CG 3.5Å; A93-L97 PolarHBondContact O-N 3.08Å; A93-H131 VanDerWaalsContact CB-O 3.26Å; A93-H131 WeakPolarHBondContact CB-O 3.48Å
94	A	98.8	Very high	97.2	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-40.7	176.6	0	0	0	0	0	113.5	F92 T98 L133 L178 L179	F92-A94 VanDerWaalsContact C-N 3.26Å; F92-A94 PolarHBondContact O-N 2.87Å; A94-T98 WeakPolarHBondContact O-CB 3.22Å; A94-T98 PolarHBondContact O-N 2.83Å; A94-L133 HydrophobicContact CB-CD2 3.78Å; A94-L178 HydrophobicContact CB-CD1 4.12Å; A94-L178 WeakPolarHBondContact O-CD1 3.44Å; A94-L179 WeakPolarHBondContact CB-O 3.35Å
95	L	98.8	Very high	97.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-74.9	-41.4	178.1	-56.7	178.6	0	0	0	110.6	L49 W54 L58 F92 A93 L97 T98 L178 F202 V206	L49-L95 HydrophobicContact CD1-CB 3.62Å; L49-L95 HydrophobicContact CD1-CD1 3.92Å; L49-L95 HydrophobicContact CD1-CG 4.42Å; W54-L95 HydrophobicContact CD2-CB 4.43Å; W54-L95 HydrophobicContact CD2-CD2 3.97Å; W54-L95 HydrophobicContact CE3-CD2 4.23Å; W54-L95 HydrophobicContact CG-CB 4.1Å; W54-L95 HydrophobicContact CG-CD2 4.5Å; W54-L95 HydrophobicContact CH2-CD2 4.13Å; W54-L95 HydrophobicContact CZ2-CD2 3.91Å; W54-L95 HydrophobicContact CZ3-CD2 4.29Å; W54-L95 PolarHBondContact NE1-O 3.48Å; W54-L95 VanDerWaalsContact NE1-O 3.12Å; L58-L95 HydrophobicContact CD1-CD1 4.06Å; F92-L95 HydrophobicContact CD1-CD1 4.05Å; F92-L95 PolarHBondContact O-N 3.28Å; A93-L95 VanDerWaalsContact C-N 3.33Å; A93-L95 PolarHBondContact O-N 3.03Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L97 PolarHBondContact O-N 2.83Å; L95-T98 CarbonylContact O-C 3.55Å; L95-T98 PolarHBondContact O-N 2.89Å; L95-L178 HydrophobicContact CD2-CD1 3.94Å; L95-F202 HydrophobicContact CD1-CE1 4.22Å; L95-F202 HydrophobicContact CD1-CZ 4.28Å; L95-V206 HydrophobicContact CD1-CG2 4.3Å; L95-V206 HydrophobicContact CD2-CG1 3.68Å; L95-V206 HydrophobicContact CD2-CG2 4.35Å
96	N	98.6	Very high	97.6	Very high	22 Å²	22	34.6 Å²	34.6	12%	0.118	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-33	-179	-69.2	-28.5	0	0	0	113.3	L48 H50 E51 F92 A93	L48-N96 PolarHBondContact O-ND2 3.11Å; H50-N96 VanDerWaalsContact CE1-CG 3.49Å; H50-N96 PolarHBondContact CE1-ND2 2.86Å; H50-N96 PolarHBondContact N-OD1 2.86Å; H50-N96 PolarHBondContact ND1-ND2 2.85Å; E51-N96 PolarHBondContact N-OD1 3.33Å; F92-N96 PolarHBondContact O-N 2.62Å; F92-N96 PolarHBondContact O-ND2 3.49Å; A93-N96 PolarHBondContact O-N 3.1Å
97	L	98.7	Very high	97.7	Very high	55 Å²	55	34.5 Å²	34.5	29%	0.288	16%	0.161	S	C	.	.	H	α-helix	trans	-86.8	-15	-179.5	-71.5	168.3	0	0	0	113.5	A93 L95 L133 T170 A173	A93-L97 HydrophobicContact CB-CD1 4.45Å; A93-L97 VanDerWaalsContact O-CB 3.27Å; A93-L97 WeakPolarHBondContact O-CB 3.25Å; A93-L97 VanDerWaalsContact O-CG 3.31Å; A93-L97 WeakPolarHBondContact O-CG 3.5Å; A93-L97 PolarHBondContact O-N 3.08Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L97 PolarHBondContact O-N 2.83Å; L97-L133 HydrophobicContact CD1-CD1 4.07Å; L97-L133 HydrophobicContact CD1-CD2 4.09Å; L97-L133 HydrophobicContact CD1-CG 4.41Å; L97-T170 HydrophobicContact CD1-CG2 4.18Å; L97-T170 HydrophobicContact CD2-CG2 4.27Å; L97-A173 HydrophobicContact CB-CB 3.88Å
98	T	98.7	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-132	85.9	-176.7	-52.6	0	0	0	0	109.8	W54 A94 L95 V103 A173 V177 L178	W54-T98 PolarHBondContact NE1-O 3.49Å; A94-T98 WeakPolarHBondContact O-CB 3.22Å; A94-T98 PolarHBondContact O-N 2.83Å; L95-T98 CarbonylContact O-C 3.55Å; L95-T98 PolarHBondContact O-N 2.89Å; T98-V103 HydrophobicContact CG2-CG2 3.93Å; T98-A173 WeakPolarHBondContact OG1-CA 3.33Å; T98-A173 PolarHBondContact OG1-O 3.43Å; T98-V177 PolarHBondContact OG1-O 3.23Å; T98-L178 HydrophobicContact CG2-CB 4.25Å
99	P	98.1	Very high	98	Very high	20 Å²	20	27 Å²	27	13%	0.13	13%	0.131	C	C	.	.			trans	-50.8	141.5	176.4	-27.2	35	0	0	0	112.3	E51 N101 Q102 V103	E51-P99 HydrophobicContact CG-CB 4.02Å; E51-P99 HydrophobicContact CG-CG 3.87Å; P99-N101 VanDerWaalsContact C-N 3.26Å; P99-N101 WeakPolarHBondContact CB-OD1 3.29Å; P99-N101 PolarHBondContact O-N 2.97Å; P99-Q102 HydrophobicContact CB-CB 4.3Å; P99-Q102 HydrophobicContact CB-CG 4.12Å; P99-Q102 HydrophobicContact CG-CG 4.4Å; P99-Q102 WeakPolarHBondContact O-CA 3.34Å; P99-Q102 WeakPolarHBondContact O-CB 3.38Å; P99-Q102 PolarHBondContact O-N 2.9Å; P99-V103 PolarHBondContact O-N 2.99Å
100	L	97.8	Very high	98.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-52.7	-44	-175.8	175.2	60.7	0	0	0	112	S53 W54 R57 Q102 V103 T209 V210 H213 C214	S53-L100 VanDerWaalsContact OG-CB 3.27Å; S53-L100 WeakPolarHBondContact OG-CB 3.14Å; S53-L100 PolarHBondContact OG-N 3.11Å; W54-L100 HydrophobicContact CD2-CB 3.96Å; W54-L100 HydrophobicContact CE3-CB 4.21Å; W54-L100 HydrophobicContact CE3-CD1 4.2Å; W54-L100 HydrophobicContact CG-CB 4.49Å; W54-L100 HydrophobicContact CH2-CB 4.37Å; W54-L100 HydrophobicContact CH2-CD1 3.54Å; W54-L100 HydrophobicContact CZ2-CB 4.07Å; W54-L100 HydrophobicContact CZ2-CD1 4.01Å; W54-L100 HydrophobicContact CZ3-CB 4.42Å; W54-L100 HydrophobicContact CZ3-CD1 3.64Å; W54-L100 HydrophobicContact CZ3-CG 4.44Å; R57-L100 HydrophobicContact CG-CD2 3.78Å; L100-Q102 PolarHBondContact O-N 2.97Å; L100-V103 WeakPolarHBondContact O-CB 3.03Å; L100-V103 WeakPolarHBondContact O-CG2 3.49Å; L100-V103 PolarHBondContact O-N 3.39Å; L100-T209 HydrophobicContact CD1-CG2 4.1Å; L100-T209 HydrophobicContact CD2-CG2 3.78Å; L100-V210 HydrophobicContact CD1-CG2 4.11Å; L100-H213 HydrophobicContact CD2-CB 4.25Å; L100-C214 VanDerWaalsContact CD1-SG 3.57Å; L100-C214 PolarHBondContact O-SG 3.33Å; L100-C214 VanDerWaalsContact O-SG 3.35Å
101	N	94.6	Very high	98	Very high	108 Å²	108	23.3 Å²	23.3	58%	0.578	12%	0.121	S	C	*	.	G	3₁₀ helix	trans	-71.4	-10.8	179.1	65.6	-22.1	0	0	0	114.2	P99	P99-N101 VanDerWaalsContact C-N 3.26Å; P99-N101 WeakPolarHBondContact CB-OD1 3.29Å; P99-N101 PolarHBondContact O-N 2.97Å
102	Q	96.7	Very high	97.9	Very high	98 Å²	98	23.4 Å²	23.4	46%	0.458	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-102.3	-3.6	176.4	-63	-176.9	15.6	0	0	112.7	P99 L100 K104 G176	P99-Q102 HydrophobicContact CB-CB 4.3Å; P99-Q102 HydrophobicContact CB-CG 4.12Å; P99-Q102 HydrophobicContact CG-CG 4.4Å; P99-Q102 WeakPolarHBondContact O-CA 3.34Å; P99-Q102 WeakPolarHBondContact O-CB 3.38Å; P99-Q102 PolarHBondContact O-N 2.9Å; L100-Q102 PolarHBondContact O-N 2.97Å; Q102-K104 PolarHBondContact O-N 3.24Å; Q102-G176 WeakPolarHBondContact O-CA 3.31Å
103	V	98.5	Very high	97.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	13%	0.131	C	C	.	.			trans	-62.6	119.5	178.8	179.3	0	0	0	0	110.4	W54 T98 P99 L100 V106 L178 V210 V217	W54-V103 HydrophobicContact CH2-CG2 4.48Å; W54-V103 HydrophobicContact CZ2-CG2 3.89Å; T98-V103 HydrophobicContact CG2-CG2 3.93Å; P99-V103 PolarHBondContact O-N 2.99Å; L100-V103 WeakPolarHBondContact O-CB 3.03Å; L100-V103 WeakPolarHBondContact O-CG2 3.49Å; L100-V103 PolarHBondContact O-N 3.39Å; V103-V106 HydrophobicContact CG1-CG2 3.78Å; V103-L178 HydrophobicContact CG1-CB 4.35Å; V103-L178 HydrophobicContact CG2-CB 4.44Å; V103-V210 HydrophobicContact CG1-CG1 4.02Å; V103-V210 HydrophobicContact CG1-CG2 4.46Å; V103-V217 HydrophobicContact CG1-CG1 3.98Å; V103-V217 HydrophobicContact CG1-CG2 4.42Å
104	K	98.7	Very high	97.2	Very high	44 Å²	44	27.5 Å²	27.5	19%	0.191	14%	0.137	C	C	.	.			trans	-112.4	-40.5	174.6	-66.5	176.4	-163.5	157.9	0	111	Q102 E175 G176 V217 V218 L267 I275	Q102-K104 PolarHBondContact O-N 3.24Å; K104-E175 WeakPolarHBondContact CD-O 3.37Å; K104-E175 WeakPolarHBondContact CE-O 3.26Å; K104-E175 PolarHBondContact NZ-O 3.09Å; K104-G176 PolarHBondContact N-O 2.78Å; K104-V217 WeakPolarHBondContact O-CA 3.44Å; K104-V218 PolarHBondContact O-N 3.42Å; K104-L267 HydrophobicContact CB-CD1 4.24Å; K104-L267 HydrophobicContact CB-CD2 3.85Å; K104-L267 HydrophobicContact CG-CD2 4.48Å; K104-I275 HydrophobicContact CB-CD1 4Å; K104-I275 HydrophobicContact CD-CD1 3.7Å
105	V	98.9	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.9	-178.5	-175.7	0	0	0	0	109.1	G176 V177 L178 V218 M220 L267 I275	V105-G176 PolarHBondContact N-O 3.35Å; V105-G176 VanDerWaalsContact N-O 3.11Å; V105-V177 HydrophobicContact CB-CB 4.5Å; V105-V177 HydrophobicContact CB-CG1 4.2Å; V105-V177 HydrophobicContact CB-CG2 4.2Å; V105-V177 HydrophobicContact CG1-CG1 4.28Å; V105-V177 CarbonylContact O-C 3.59Å; V105-V177 WeakPolarHBondContact O-CA 3.27Å; V105-L178 PolarHBondContact O-N 2.98Å; V105-V218 CarbonylContact C-O 3.58Å; V105-V218 WeakPolarHBondContact CA-O 3.36Å; V105-V218 WeakPolarHBondContact CG1-O 3.35Å; V105-V218 HydrophobicContact CG2-CB 4.29Å; V105-M220 HydrophobicContact CG1-CE 3.61Å; V105-M220 HydrophobicContact CG1-CG 4Å; V105-M220 HydrophobicContact CG1-SD 4.21Å; V105-L267 HydrophobicContact CG2-CD1 4.05Å; V105-I275 HydrophobicContact CG2-CD1 4.16Å; V105-I275 HydrophobicContact CG2-CG1 3.8Å
106	V	98.9	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.7	170.8	-179.4	0	0	0	0	108.2	V103 I108 L178 V210 V217 V218 F219 M220	V103-V106 HydrophobicContact CG1-CG2 3.78Å; V106-I108 HydrophobicContact CG1-CD1 4.5Å; V106-I108 HydrophobicContact CG1-CG1 4.07Å; V106-L178 HydrophobicContact CG1-CD2 4.39Å; V106-L178 HydrophobicContact CG2-CB 4.27Å; V106-L178 HydrophobicContact CG2-CD2 4.25Å; V106-V210 HydrophobicContact CG2-CG1 4.13Å; V106-V217 HydrophobicContact CG2-CG1 3.83Å; V106-V218 PolarHBondContact N-O 3.03Å; V106-F219 HydrophobicContact CB-CD1 3.65Å; V106-F219 HydrophobicContact CB-CE1 3.8Å; V106-F219 HydrophobicContact CB-CG 4.32Å; V106-F219 HydrophobicContact CG1-CD1 3.95Å; V106-F219 HydrophobicContact CG1-CE1 4Å; V106-F219 HydrophobicContact CG2-CD1 4.05Å; V106-F219 HydrophobicContact CG2-CE1 3.7Å; V106-F219 HydrophobicContact CG2-CZ 4.09Å; V106-M220 PolarHBondContact O-N 2.85Å
107	L	98.7	Very high	92.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.5	173.4	-177.2	65.5	0	0	0	109.4	C134 F135 L178 L179 L180 M220 W222	L107-C134 PolarHBondContact O-SG 3.4Å; L107-F135 HydrophobicContact CD1-CE2 4.43Å; L107-F135 HydrophobicContact CD2-CD2 3.67Å; L107-F135 HydrophobicContact CD2-CE2 4.02Å; L107-F135 HydrophobicContact CG-CD2 4.2Å; L107-F135 HydrophobicContact CG-CE2 4.1Å; L107-L178 PolarHBondContact N-O 2.76Å; L107-L179 HydrophobicContact CB-CD2 4.19Å; L107-L179 HydrophobicContact CD2-CD2 3.72Å; L107-L179 HydrophobicContact CG-CD2 4.5Å; L107-L180 PolarHBondContact O-N 3.34Å; L107-M220 HydrophobicContact CB-CE 4.36Å; L107-M220 HydrophobicContact CD1-CB 3.78Å; L107-M220 HydrophobicContact CD1-CE 4.08Å; L107-W222 HydrophobicContact CD1-CD2 3.62Å; L107-W222 HydrophobicContact CD1-CE3 3.56Å; L107-W222 HydrophobicContact CD1-CG 4.36Å; L107-W222 HydrophobicContact CD1-CH2 3.63Å; L107-W222 HydrophobicContact CD1-CZ2 3.7Å; L107-W222 HydrophobicContact CD1-CZ3 3.56Å; L107-W222 HydrophobicContact CD2-CE3 4.34Å; L107-W222 HydrophobicContact CD2-CH2 3.69Å; L107-W222 HydrophobicContact CD2-CZ2 4.5Å; L107-W222 HydrophobicContact CD2-CZ3 3.59Å; L107-W222 HydrophobicContact CG-CE3 4.47Å; L107-W222 HydrophobicContact CG-CH2 4.33Å; L107-W222 HydrophobicContact CG-CZ3 4.17Å
108	I	98.4	Very high	90.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.2	-172.6	-55.7	177.1	0	0	0	110.7	V106 L180 I207 L221 A226 K229	V106-I108 HydrophobicContact CG1-CD1 4.5Å; V106-I108 HydrophobicContact CG1-CG1 4.07Å; I108-L180 CarbonylContact C-O 3.16Å; I108-L180 VanDerWaalsContact CA-O 3.29Å; I108-L180 WeakPolarHBondContact CA-O 3.48Å; I108-I207 HydrophobicContact CD1-CD1 3.65Å; I108-I207 HydrophobicContact CD1-CG1 4.31Å; I108-L221 HydrophobicContact CD1-CD2 3.73Å; I108-L221 HydrophobicContact CG1-CD2 4.38Å; I108-A226 HydrophobicContact CB-CB 4.26Å; I108-K229 HydrophobicContact CD1-CB 3.95Å; I108-K229 HydrophobicContact CD1-CG 4.11Å
109	G	97	Very high	88.4	Confident	4 Å²	4	37.6 Å²	37.6	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	170.3	164.7	0	0	0	0	0	112.3	L180 N181 A182	G109-L180 PolarHBondContact N-O 3.18Å; G109-N181 CarbonylContact O-C 3.55Å; G109-N181 WeakPolarHBondContact O-CA 3.19Å; G109-A182 PolarHBondContact O-N 3.46Å
110	Q	96.2	Very high	86.3	Confident	78 Å²	78	42.9 Å²	42.9	36%	0.364	23%	0.228	S	C	.	.	S	Bend	trans	-80.5	-66.5	177.4	-177.4	171.3	-31.6	0	0	110.6	A182 T183 N192 F225	Q110-A182 PolarHBondContact O-N 2.85Å; Q110-T183 PolarHBondContact O-N 3.28Å; Q110-N192 PolarHBondContact NE2-OD1 2.88Å; Q110-F225 HydrophobicContact CB-CD1 4.32Å; Q110-F225 HydrophobicContact CB-CE1 4.25Å; Q110-F225 HydrophobicContact CG-CE1 4.27Å; Q110-F225 HydrophobicContact CG-CE2 4.45Å; Q110-F225 HydrophobicContact CG-CZ 4.24Å
111	D	96	Very high	84.2	Confident	32 Å²	32	46.5 Å²	46.5	17%	0.171	25%	0.248	C	C	.	.	S	Bend	trans	-146.8	167.8	-179.1	63.9	-37.5	0	0	0	110.4	N181 N192	D111-N181 PolarHBondContact O-OD1 2.9Å; D111-N192 WeakPolarHBondContact OD2-CA 3.36Å; D111-N192 PolarHBondContact OD2-N 3.35Å
112	P	96.2	Very high	82.3	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.032	26%	0.255	C	S	.	.			trans	-64.2	156.9	178.4	-17.8	31.6	0	0	0	112.1	H114 A130 T183 L184 V186	P112-H114 PolarHBondContact O-N 3.32Å; P112-A130 HydrophobicContact CB-CB 3.66Å; P112-T183 WeakPolarHBondContact CD-O 3.42Å; P112-L184 WeakPolarHBondContact CG-O 2.99Å; P112-V186 HydrophobicContact CB-CG1 3.93Å; P112-V186 HydrophobicContact CG-CG1 4.21Å
113	Y	93.3	Very high	80.2	Confident	51 Å²	51	45.5 Å²	45.5	20%	0.2	26%	0.26	C	S	.	.			trans	-58.5	128	167.7	-68	-63.5	0	0	0	110.3	V137 P144	Y113-V137 HydrophobicContact CD2-CG1 3.57Å; Y113-V137 HydrophobicContact CE2-CG1 3.72Å; Y113-P144 HydrophobicContact CD1-CB 4.18Å; Y113-P144 HydrophobicContact CD1-CG 4.11Å; Y113-P144 HydrophobicContact CD2-CG 4.06Å; Y113-P144 HydrophobicContact CE1-CB 3.49Å; Y113-P144 VanDerWaalsContact CE1-CB 3.49Å; Y113-P144 HydrophobicContact CE1-CG 3.73Å; Y113-P144 HydrophobicContact CE2-CB 4.23Å; Y113-P144 HydrophobicContact CE2-CG 3.68Å; Y113-P144 HydrophobicContact CG-CG 4.26Å
114	H	89.4	Confident	78.1	Confident	46 Å²	46	48.8 Å²	48.8	21%	0.213	28%	0.276	C	S	.	.			trans	-98	-14.9	-171	62.5	78.5	0	0	0	114.3	F85 P112 V186 N189 P191	F85-H114 WeakPolarHBondContact CE2-O 3.27Å; P112-H114 PolarHBondContact O-N 3.32Å; H114-V186 HydrophobicContact CB-CG1 3.94Å; H114-V186 HydrophobicContact CB-CG2 3.87Å; H114-N189 PolarHBondContact O-N 2.79Å; H114-P191 VanDerWaalsContact CD2-CB 3.45Å; H114-P191 WeakPolarHBondContact CD2-CB 3.34Å
115	N	81.4	Confident	75.9	Confident	79 Å²	79	50 Å²	50	42%	0.422	29%	0.287	S	S	.	.	S	Bend	trans	-79	142.6	178.1	-68.1	-26.5	0	0	0	110.1	F129	N115-F129 HydrophobicContact CB-CD2 4.16Å; N115-F129 HydrophobicContact CB-CE2 3.87Å; N115-F129 WeakPolarHBondContact O-CD2 3.19Å; N115-F129 WeakPolarHBondContact O-CG 3.41Å
116	P	67.7	Low	73.7	Confident	27 Å²	27	55.8 Å²	55.8	18%	0.175	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-71	160.2	171.8	32	-36.9	0	0	0	111.9	F85 Q118 V125 F129 N189	F85-P116 HydrophobicContact CZ-CB 4.49Å; P116-Q118 PolarHBondContact O-N 3.07Å; P116-V125 WeakPolarHBondContact CB-O 3.48Å; P116-F129 WeakPolarHBondContact O-CE1 3.37Å; P116-F129 VanDerWaalsContact O-CE2 3.25Å; P116-F129 WeakPolarHBondContact O-CE2 3.49Å; P116-F129 WeakPolarHBondContact O-CZ 3.31Å; P116-N189 WeakPolarHBondContact CD-OD1 3.47Å
117	G	58.2	Low	71.9	Confident	4 Å²	4	59.7 Å²	59.7	4%	0.041	34%	0.336	C	S	.	.			trans	-26.5	94.6	159.1	0	0	0	0	0	116.1	A119 V125 Q127	G117-A119 PolarHBondContact O-N 2.98Å; G117-V125 WeakPolarHBondContact O-CA 3.36Å; G117-Q127 PolarHBondContact N-O 3.42Å
118	Q	51.5	Low	70.3	Confident	164 Å²	164	60 Å²	60	77%	0.766	34%	0.338	S	S	*	.			trans	-86	61.4	145	-76.7	-171.2	14.3	0	0	107.1	P116 F129 P142	P116-Q118 PolarHBondContact O-N 3.07Å; Q118-F129 VanDerWaalsContact N-CE1 3.3Å; Q118-P142 VanDerWaalsContact O-CD 3.22Å; Q118-P142 WeakPolarHBondContact O-CD 3.39Å; Q118-P142 VanDerWaalsContact O-CG 3.23Å; Q118-P142 WeakPolarHBondContact O-CG 3.23Å
119	A	50.2	Low	69.6	Low	22 Å²	22	60.8 Å²	60.8	18%	0.182	34%	0.342	C	S	.	.			trans	-62.6	145.8	163.5	0	0	0	0	0	107.5	G117 D121 M124	G117-A119 PolarHBondContact O-N 2.98Å; A119-D121 PolarHBondContact O-N 3.11Å; A119-M124 HydrophobicContact CB-CB 3.54Å; A119-M124 HydrophobicContact CB-CG 4.44Å
120	S	53.6	Low	69.3	Low	131 Å²	131	60.8 Å²	60.8	92%	0.916	34%	0.342	S	S	*	.	S	Bend	trans	-56.3	-17.7	168.8	49	0	0	0	0	112.9
121	D	54.3	Low	69.2	Low	77 Å²	77	57.6 Å²	57.6	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	-96.7	117.3	175.4	-174.3	-8.8	0	0	0	110	A119 S123 M124	A119-D121 PolarHBondContact O-N 3.11Å; D121-S123 PolarHBondContact O-N 2.8Å; D121-S123 VanDerWaalsContact O-N 3.11Å; D121-S123 VanDerWaalsContact OD1-CB 3.26Å; D121-S123 WeakPolarHBondContact OD1-CB 3.33Å; D121-S123 PolarHBondContact OD1-N 2.7Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-S123 PolarHBondContact OD2-OG 3.43Å; D121-M124 HydrophobicContact CB-CG 4.43Å; D121-M124 PolarHBondContact O-N 2.82Å
122	S	53.9	Low	69.3	Low	105 Å²	105	56.5 Å²	56.5	73%	0.734	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-59	-18.4	175.3	48.8	0	0	0	0	113.7	M124 V125	S122-M124 PolarHBondContact O-N 3.17Å; S122-V125 WeakPolarHBondContact O-CG2 3.3Å
123	S	54.3	Low	69.4	Low	79 Å²	79	56.4 Å²	56.4	55%	0.552	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-73.9	-14.1	175.9	79.4	0	0	0	0	113.6	D121	D121-S123 PolarHBondContact O-N 2.8Å; D121-S123 VanDerWaalsContact O-N 3.11Å; D121-S123 VanDerWaalsContact OD1-CB 3.26Å; D121-S123 WeakPolarHBondContact OD1-CB 3.33Å; D121-S123 PolarHBondContact OD1-N 2.7Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-S123 PolarHBondContact OD2-OG 3.43Å
124	M	53.3	Low	69.6	Low	72 Å²	72	54 Å²	54	36%	0.355	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-109	11.7	-175.6	-66.4	-66.9	140.3	0	0	113.2	A119 D121 S122 D126 Q127	A119-M124 HydrophobicContact CB-CB 3.54Å; A119-M124 HydrophobicContact CB-CG 4.44Å; D121-M124 HydrophobicContact CB-CG 4.43Å; D121-M124 PolarHBondContact O-N 2.82Å; S122-M124 PolarHBondContact O-N 3.17Å; M124-D126 PolarHBondContact O-N 2.99Å; M124-Q127 PolarHBondContact O-N 3.04Å; M124-Q127 HydrophobicContact SD-CB 4.5Å
125	V	52.1	Low	70	Confident	71 Å²	71	52.7 Å²	52.7	43%	0.43	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.6	-174.9	174.5	0	0	0	0	112.8	P116 G117 S122	P116-V125 WeakPolarHBondContact CB-O 3.48Å; G117-V125 WeakPolarHBondContact O-CA 3.36Å; S122-V125 WeakPolarHBondContact O-CG2 3.3Å
126	D	53.1	Low	70.8	Confident	121 Å²	121	48.9 Å²	48.9	65%	0.647	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	1.9	178.9	-73	-46.8	0	0	0	115	M124 K188	M124-D126 PolarHBondContact O-N 2.99Å; D126-K188 IonicContact OD1-NZ 2.96Å; D126-K188 PolarHBondContact OD1-NZ 3.18Å
127	Q	61.7	Low	72.1	Confident	81 Å²	81	47.6 Å²	47.6	38%	0.379	28%	0.278	S	S	.	.	S	Bend	trans	-76.8	139.3	178	-159.4	172.4	47.2	0	0	111.6	G117 M124 F129	G117-Q127 PolarHBondContact N-O 3.42Å; M124-Q127 PolarHBondContact O-N 3.04Å; M124-Q127 HydrophobicContact SD-CB 4.5Å; Q127-F129 PolarHBondContact O-N 3.38Å
128	A	65.3	Low	73.7	Confident	6 Å²	6	50 Å²	50	5%	0.05	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-67.1	124.5	177.6	0	0	0	0	0	111.1	F85 E87 A130	F85-A128 HydrophobicContact CD1-CB 3.26Å; F85-A128 HydrophobicContact CE1-CB 3.48Å; F85-A128 VanDerWaalsContact CE1-CB 3.48Å; F85-A128 HydrophobicContact CG-CB 4.15Å; E87-A128 HydrophobicContact CG-CB 4.36Å; A128-A130 VanDerWaalsContact C-N 3.25Å; A128-A130 PolarHBondContact O-N 3.17Å
129	F	83.5	Confident	75.5	Confident	21 Å²	21	45.9 Å²	45.9	9%	0.092	28%	0.275	C	S	.	.	S	Bend	trans	-56.4	-44.9	166.4	-72.6	-19.9	0	0	0	111.4	N115 P116 Q118 Q127 V137 Q138 V141	N115-F129 HydrophobicContact CB-CD2 4.16Å; N115-F129 HydrophobicContact CB-CE2 3.87Å; N115-F129 WeakPolarHBondContact O-CD2 3.19Å; N115-F129 WeakPolarHBondContact O-CG 3.41Å; P116-F129 WeakPolarHBondContact O-CE1 3.37Å; P116-F129 VanDerWaalsContact O-CE2 3.25Å; P116-F129 WeakPolarHBondContact O-CE2 3.49Å; P116-F129 WeakPolarHBondContact O-CZ 3.31Å; Q118-F129 VanDerWaalsContact N-CE1 3.3Å; Q127-F129 PolarHBondContact O-N 3.38Å; F129-V137 HydrophobicContact CB-CG1 4.16Å; F129-V137 VanDerWaalsContact O-CA 3.27Å; F129-V137 WeakPolarHBondContact O-CA 3.48Å; F129-Q138 PolarHBondContact O-N 2.85Å; F129-V141 HydrophobicContact CB-CG1 4.23Å; F129-V141 HydrophobicContact CD1-CB 4Å; F129-V141 HydrophobicContact CD1-CG1 3.14Å; F129-V141 HydrophobicContact CD1-CG2 3.63Å; F129-V141 HydrophobicContact CD2-CG1 4.45Å; F129-V141 HydrophobicContact CE1-CB 4.21Å; F129-V141 HydrophobicContact CE1-CG1 3.3Å; F129-V141 HydrophobicContact CE1-CG2 4.08Å; F129-V141 HydrophobicContact CG-CG1 3.74Å; F129-V141 HydrophobicContact CZ-CG1 4.11Å
130	A	90.3	Very high	77.3	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.041	30%	0.295	C	S	.	.			trans	-81.1	135.7	-176.8	0	0	0	0	0	111.9	P86 P112 A128	P86-A130 HydrophobicContact CB-CB 4.37Å; P86-A130 WeakPolarHBondContact CB-O 3.2Å; P112-A130 HydrophobicContact CB-CB 3.66Å; A128-A130 VanDerWaalsContact C-N 3.25Å; A128-A130 PolarHBondContact O-N 3.17Å
131	H	94.8	Very high	79	Confident	11 Å²	11	42 Å²	42	5%	0.051	26%	0.255	C	S	.	.			trans	-126	26.9	177.5	66.5	105.9	0	0	0	112.8	A93 S136 Q138	A93-H131 VanDerWaalsContact CB-O 3.26Å; A93-H131 WeakPolarHBondContact CB-O 3.48Å; H131-S136 PolarHBondContact CE1-OG 2.99Å; H131-S136 WeakPolarHBondContact NE2-CB 3.07Å; H131-S136 PolarHBondContact NE2-OG 3.46Å; H131-Q138 HydrophobicContact CB-CG 4.1Å
132	G	97.1	Very high	80.7	Confident	8 Å²	8	41.8 Å²	41.8	8%	0.082	26%	0.258	C	S	.	.	S	Bend	trans	87.5	5.8	173.1	0	0	0	0	0	115.9	N90	N90-G132 WeakPolarHBondContact O-CA 3.21Å
133	L	98.5	Very high	82.5	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	-111	130.4	171.7	-54.6	-175.9	0	0	0	109.8	A94 L97 S136 A173 L179	A94-L133 HydrophobicContact CB-CD2 3.78Å; L97-L133 HydrophobicContact CD1-CD1 4.07Å; L97-L133 HydrophobicContact CD1-CD2 4.09Å; L97-L133 HydrophobicContact CD1-CG 4.41Å; L133-S136 WeakPolarHBondContact O-CB 3.22Å; L133-S136 PolarHBondContact O-N 3.31Å; L133-A173 HydrophobicContact CD1-CB 4.25Å; L133-L179 WeakPolarHBondContact CA-O 3.45Å; L133-L179 HydrophobicContact CB-CB 3.95Å; L133-L179 HydrophobicContact CB-CD1 4.07Å; L133-L179 HydrophobicContact CD1-CD1 4.01Å; L133-L179 HydrophobicContact CD2-CB 4.27Å; L133-L179 HydrophobicContact CG-CD1 4.47Å
134	C	98	Very high	84.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	144.1	177.5	72.8	0	0	0	0	111.4	L107 S136 L179 L180 N181	L107-C134 PolarHBondContact O-SG 3.4Å; C134-S136 PolarHBondContact O-N 3.24Å; C134-L179 PolarHBondContact N-O 3.36Å; C134-L179 VanDerWaalsContact SG-CA 3.53Å; C134-L180 WeakPolarHBondContact CB-O 3.39Å; C134-N181 WeakPolarHBondContact CB-OD1 3.27Å
135	F	97.4	Very high	86.3	Confident	18 Å²	18	36.3 Å²	36.3	8%	0.079	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-5.3	-175.8	-55.2	-72.8	0	0	0	117.1	L107 L147 I150 L169 W222 H245 P246	L107-F135 HydrophobicContact CD1-CE2 4.43Å; L107-F135 HydrophobicContact CD2-CD2 3.67Å; L107-F135 HydrophobicContact CD2-CE2 4.02Å; L107-F135 HydrophobicContact CG-CD2 4.2Å; L107-F135 HydrophobicContact CG-CE2 4.1Å; F135-L147 WeakPolarHBondContact O-CD2 3.29Å; F135-I150 HydrophobicContact CB-CD1 3.77Å; F135-I150 HydrophobicContact CD1-CD1 3.74Å; F135-I150 HydrophobicContact CD2-CD1 4.27Å; F135-I150 HydrophobicContact CE1-CD1 4.41Å; F135-I150 HydrophobicContact CG-CD1 3.66Å; F135-L169 HydrophobicContact CB-CD1 4.25Å; F135-W222 HydrophobicContact CD2-CZ3 4.26Å; F135-W222 AromaticContact CE2-CE3 3.99Å; F135-W222 HydrophobicContact CE2-CE3 3.99Å; F135-W222 HydrophobicContact CE2-CZ3 4.13Å; F135-W222 HydrophobicContact CZ-CE3 4.16Å; F135-H245 AromaticContact CE1-NE2 3.7Å; F135-H245 AromaticContact CZ-NE2 3.8Å; F135-P246 HydrophobicContact CE1-CG 3.93Å; F135-P246 HydrophobicContact CZ-CG 4.34Å
136	S	97.4	Very high	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.203	C	C	.	.			trans	-94.1	144.4	-175.3	-162.4	0	0	0	0	111.8	H131 L133 C134 L169	H131-S136 PolarHBondContact CE1-OG 2.99Å; H131-S136 WeakPolarHBondContact NE2-CB 3.07Å; H131-S136 PolarHBondContact NE2-OG 3.46Å; L133-S136 WeakPolarHBondContact O-CB 3.22Å; L133-S136 PolarHBondContact O-N 3.31Å; C134-S136 PolarHBondContact O-N 3.24Å; S136-L169 WeakPolarHBondContact OG-CB 3.14Å; S136-L169 PolarHBondContact OG-N 2.7Å
137	V	94.9	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.			trans	-129.5	155.5	171.6	-64.8	0	0	0	0	111.3	Y113 F129 V141 P144 L147 G167 C168	Y113-V137 HydrophobicContact CD2-CG1 3.57Å; Y113-V137 HydrophobicContact CE2-CG1 3.72Å; F129-V137 HydrophobicContact CB-CG1 4.16Å; F129-V137 VanDerWaalsContact O-CA 3.27Å; F129-V137 WeakPolarHBondContact O-CA 3.48Å; V137-V141 HydrophobicContact CB-CB 4.03Å; V137-V141 HydrophobicContact CB-CG1 3.71Å; V137-V141 HydrophobicContact CG1-CG1 4.06Å; V137-V141 HydrophobicContact CG2-CB 4.06Å; V137-V141 HydrophobicContact CG2-CG1 3.86Å; V137-P144 HydrophobicContact CG1-CG 3.73Å; V137-L147 HydrophobicContact CG2-CD2 4.16Å; V137-G167 PolarHBondContact N-O 3.08Å; V137-G167 CarbonylContact O-C 3.53Å; V137-C168 WeakPolarHBondContact O-CA 3.38Å; V137-C168 WeakPolarHBondContact O-CB 3.46Å; V137-C168 PolarHBondContact O-N 2.63Å
138	Q	92.1	Very high	92.3	Very high	54 Å²	54	28.1 Å²	28.1	25%	0.252	17%	0.173	S	C	.	.			trans	-60.5	153.5	176.5	-69.7	-74.5	26	0	0	112.1	F129 H131 V141	F129-Q138 PolarHBondContact O-N 2.85Å; H131-Q138 HydrophobicContact CB-CG 4.1Å; Q138-V141 HydrophobicContact CB-CG2 4.18Å; Q138-V141 VanDerWaalsContact O-CB 3.29Å; Q138-V141 WeakPolarHBondContact O-CB 3.14Å; Q138-V141 PolarHBondContact O-N 2.6Å
139	P	90.6	Very high	93.9	Very high	77 Å²	77	28 Å²	28	50%	0.5	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	145.5	168.8	-24.4	35.4	0	0	0	112.2	V141 H166 C168	P139-V141 PolarHBondContact O-N 2.8Å; P139-H166 HydrophobicContact CB-CB 4.3Å; P139-C168 HydrophobicContact CG-CB 4.08Å
140	G	87.7	Confident	94.6	Very high	58 Å²	58	27 Å²	27	60%	0.598	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-13.1	-175.8	0	0	0	0	0	115
141	V	88.6	Confident	95	Very high	14 Å²	14	27 Å²	27	9%	0.085	17%	0.166	C	C	.	.	S	Bend	trans	-82	132	174.1	170.1	0	0	0	0	110.8	F129 V137 Q138 P139 K143	F129-V141 HydrophobicContact CB-CG1 4.23Å; F129-V141 HydrophobicContact CD1-CB 4Å; F129-V141 HydrophobicContact CD1-CG1 3.14Å; F129-V141 HydrophobicContact CD1-CG2 3.63Å; F129-V141 HydrophobicContact CD2-CG1 4.45Å; F129-V141 HydrophobicContact CE1-CB 4.21Å; F129-V141 HydrophobicContact CE1-CG1 3.3Å; F129-V141 HydrophobicContact CE1-CG2 4.08Å; F129-V141 HydrophobicContact CG-CG1 3.74Å; F129-V141 HydrophobicContact CZ-CG1 4.11Å; V137-V141 HydrophobicContact CB-CB 4.03Å; V137-V141 HydrophobicContact CB-CG1 3.71Å; V137-V141 HydrophobicContact CG1-CG1 4.06Å; V137-V141 HydrophobicContact CG2-CB 4.06Å; V137-V141 HydrophobicContact CG2-CG1 3.86Å; Q138-V141 HydrophobicContact CB-CG2 4.18Å; Q138-V141 VanDerWaalsContact O-CB 3.29Å; Q138-V141 WeakPolarHBondContact O-CB 3.14Å; Q138-V141 PolarHBondContact O-N 2.6Å; P139-V141 PolarHBondContact O-N 2.8Å; V141-K143 PolarHBondContact O-N 3.07Å
142	P	89.8	Confident	95.1	Very high	73 Å²	73	31.1 Å²	31.1	47%	0.474	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-54.9	129.8	170.3	-26.2	34.9	0	0	0	111.8	Q118 P144	Q118-P142 VanDerWaalsContact O-CD 3.22Å; Q118-P142 WeakPolarHBondContact O-CD 3.39Å; Q118-P142 VanDerWaalsContact O-CG 3.23Å; Q118-P142 WeakPolarHBondContact O-CG 3.23Å; P142-P144 VanDerWaalsContact O-CD 3.29Å; P142-P144 WeakPolarHBondContact O-CD 3.37Å
143	K	92.2	Very high	95.2	Very high	52 Å²	52	30.8 Å²	30.8	23%	0.226	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-61.1	122	-179	-65	-178.6	-77.3	-95.3	0	110.1	V141 L147 Q148 F151 P164	V141-K143 PolarHBondContact O-N 3.07Å; K143-L147 HydrophobicContact CB-CD2 4.31Å; K143-L147 HydrophobicContact CG-CD2 4.25Å; K143-Q148 HydrophobicContact CB-CG 3.88Å; K143-Q148 PolarHBondContact O-NE2 2.94Å; K143-F151 HydrophobicContact CD-CD2 3.69Å; K143-F151 HydrophobicContact CD-CE2 3.43Å; K143-F151 VanDerWaalsContact CD-CE2 3.43Å; K143-F151 HydrophobicContact CG-CE2 4.5Å; K143-P164 PolarHBondContact NZ-O 2.85Å
144	P	93.2	Very high	95.2	Very high	16 Å²	16	30.6 Å²	30.6	10%	0.104	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-64.5	157.1	177.3	-25.9	37.9	0	0	0	112.1	Y113 V137 P142 S146 L147 Q148	Y113-P144 HydrophobicContact CD1-CB 4.18Å; Y113-P144 HydrophobicContact CD1-CG 4.11Å; Y113-P144 HydrophobicContact CD2-CG 4.06Å; Y113-P144 HydrophobicContact CE1-CB 3.49Å; Y113-P144 VanDerWaalsContact CE1-CB 3.49Å; Y113-P144 HydrophobicContact CE1-CG 3.73Å; Y113-P144 HydrophobicContact CE2-CB 4.23Å; Y113-P144 HydrophobicContact CE2-CG 3.68Å; Y113-P144 HydrophobicContact CG-CG 4.26Å; V137-P144 HydrophobicContact CG1-CG 3.73Å; P142-P144 VanDerWaalsContact O-CD 3.29Å; P142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-S146 VanDerWaalsContact C-N 3.3Å; P144-S146 PolarHBondContact O-N 3.26Å; P144-L147 WeakPolarHBondContact O-CB 3.07Å; P144-L147 PolarHBondContact O-N 3.47Å; P144-Q148 PolarHBondContact O-N 2.81Å
145	P	95	Very high	95.2	Very high	72 Å²	72	35.4 Å²	35.4	47%	0.468	20%	0.202	S	C	.	.	H	α-helix	trans	-54	-41.1	-174.4	-29	35.5	0	0	0	114.6	L147 Q148 N149 P248	P145-L147 VanDerWaalsContact C-N 3.33Å; P145-L147 PolarHBondContact O-N 3.1Å; P145-Q148 PolarHBondContact O-N 2.83Å; P145-N149 PolarHBondContact O-N 2.92Å; P145-N149 PolarHBondContact O-ND2 3.26Å; P145-P248 HydrophobicContact CB-CG 3.68Å
146	S	96.6	Very high	95.3	Very high	17 Å²	17	39.2 Å²	39.2	12%	0.119	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-40.4	176.4	-59	0	0	0	0	112.4	P144 N149 I150	P144-S146 VanDerWaalsContact C-N 3.3Å; P144-S146 PolarHBondContact O-N 3.26Å; S146-N149 PolarHBondContact O-N 3.28Å; S146-I150 WeakPolarHBondContact O-CG1 3.49Å; S146-I150 PolarHBondContact O-N 3.05Å
147	L	97.2	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.5	-38.3	177.5	-178.3	58.9	0	0	0	111.9	F135 V137 K143 P144 P145 N149 I150 F151 G167 L169	F135-L147 WeakPolarHBondContact O-CD2 3.29Å; V137-L147 HydrophobicContact CG2-CD2 4.16Å; K143-L147 HydrophobicContact CB-CD2 4.31Å; K143-L147 HydrophobicContact CG-CD2 4.25Å; P144-L147 WeakPolarHBondContact O-CB 3.07Å; P144-L147 PolarHBondContact O-N 3.47Å; P145-L147 VanDerWaalsContact C-N 3.33Å; P145-L147 PolarHBondContact O-N 3.1Å; L147-N149 PolarHBondContact O-N 3.4Å; L147-I150 HydrophobicContact CD1-CB 4.43Å; L147-I150 HydrophobicContact CD1-CD1 4.49Å; L147-I150 HydrophobicContact CD1-CG2 4.44Å; L147-I150 WeakPolarHBondContact O-CB 3.46Å; L147-I150 PolarHBondContact O-N 3.27Å; L147-F151 HydrophobicContact CD1-CD1 4.2Å; L147-F151 HydrophobicContact CD1-CE1 3.71Å; L147-F151 HydrophobicContact CD1-CE2 4.35Å; L147-F151 HydrophobicContact CD1-CZ 3.8Å; L147-F151 HydrophobicContact CD2-CE2 4.48Å; L147-F151 HydrophobicContact CD2-CZ 4.36Å; L147-F151 HydrophobicContact CG-CE1 4.39Å; L147-F151 HydrophobicContact CG-CE2 4.18Å; L147-F151 HydrophobicContact CG-CZ 4.09Å; L147-F151 PolarHBondContact O-N 2.96Å; L147-G167 VanDerWaalsContact CD2-CA 3.48Å; L147-G167 WeakPolarHBondContact CD2-O 3.32Å; L147-L169 HydrophobicContact CD1-CD1 4.21Å; L147-L169 HydrophobicContact CD1-CD2 4.23Å
148	Q	97.8	Very high	95.5	Very high	85 Å²	85	41.8 Å²	41.8	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-39.8	173.3	-62.9	178.1	28.6	0	0	111.4	K143 P144 P145 F151 K152	K143-Q148 HydrophobicContact CB-CG 3.88Å; K143-Q148 PolarHBondContact O-NE2 2.94Å; P144-Q148 PolarHBondContact O-N 2.81Å; P145-Q148 PolarHBondContact O-N 2.83Å; Q148-F151 PolarHBondContact O-N 3.43Å; Q148-K152 WeakPolarHBondContact O-CG 3.17Å; Q148-K152 PolarHBondContact O-N 3.45Å
149	N	98.5	Very high	95.7	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-71.2	-35.1	177.5	-69.7	-19.1	0	0	0	112.7	P145 S146 L147 F151 K152 E153 P246 Q251 F255	P145-N149 PolarHBondContact O-N 2.92Å; P145-N149 PolarHBondContact O-ND2 3.26Å; S146-N149 PolarHBondContact O-N 3.28Å; L147-N149 PolarHBondContact O-N 3.4Å; N149-F151 VanDerWaalsContact C-N 3.32Å; N149-K152 PolarHBondContact O-N 2.94Å; N149-E153 PolarHBondContact O-N 2.97Å; N149-E153 VanDerWaalsContact O-N 3.07Å; N149-P246 HydrophobicContact CB-CB 4.28Å; N149-P246 VanDerWaalsContact CB-O 3.26Å; N149-P246 WeakPolarHBondContact CB-O 3.05Å; N149-P246 PolarHBondContact ND2-O 3.18Å; N149-Q251 WeakPolarHBondContact ND2-CB 3.47Å; N149-Q251 PolarHBondContact ND2-OE1 3.36Å; N149-Q251 PolarHBondContact OD1-OE1 3.41Å; N149-F255 HydrophobicContact CB-CE1 3.84Å; N149-F255 HydrophobicContact CB-CZ 4.04Å; N149-F255 WeakPolarHBondContact OD1-CZ 3.49Å
150	I	98.7	Very high	96	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-45.1	169.8	-73.6	162.2	0	0	0	110.8	F135 S146 L147 E153 L154 W172 W222 P246 F254 F260	F135-I150 HydrophobicContact CB-CD1 3.77Å; F135-I150 HydrophobicContact CD1-CD1 3.74Å; F135-I150 HydrophobicContact CD2-CD1 4.27Å; F135-I150 HydrophobicContact CE1-CD1 4.41Å; F135-I150 HydrophobicContact CG-CD1 3.66Å; S146-I150 WeakPolarHBondContact O-CG1 3.49Å; S146-I150 PolarHBondContact O-N 3.05Å; L147-I150 HydrophobicContact CD1-CB 4.43Å; L147-I150 HydrophobicContact CD1-CD1 4.49Å; L147-I150 HydrophobicContact CD1-CG2 4.44Å; L147-I150 WeakPolarHBondContact O-CB 3.46Å; L147-I150 PolarHBondContact O-N 3.27Å; I150-E153 PolarHBondContact O-N 3.23Å; I150-L154 HydrophobicContact CG2-CD1 4Å; I150-L154 PolarHBondContact O-N 2.95Å; I150-W172 HydrophobicContact CG2-CH2 4.03Å; I150-W222 HydrophobicContact CD1-CE3 4.44Å; I150-W222 HydrophobicContact CD1-CH2 4.4Å; I150-W222 HydrophobicContact CD1-CZ3 3.62Å; I150-W222 HydrophobicContact CG1-CH2 4.27Å; I150-W222 HydrophobicContact CG1-CZ3 3.77Å; I150-P246 HydrophobicContact CD1-CB 4.4Å; I150-P246 HydrophobicContact CD1-CG 4.01Å; I150-P246 HydrophobicContact CG1-CB 3.84Å; I150-P246 HydrophobicContact CG1-CG 3.94Å; I150-F254 HydrophobicContact CG1-CE1 4.39Å; I150-F254 HydrophobicContact CG1-CZ 4.21Å; I150-F260 HydrophobicContact CG2-CZ 3.91Å
151	F	98.5	Very high	96.4	Very high	3 Å²	3	43 Å²	43	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-40.4	178.6	-69.9	-11.7	0	0	0	113.3	K143 L147 Q148 N149 E153 L154 E155 F161 T163 P164 L169 L279	K143-F151 HydrophobicContact CD-CD2 3.69Å; K143-F151 HydrophobicContact CD-CE2 3.43Å; K143-F151 VanDerWaalsContact CD-CE2 3.43Å; K143-F151 HydrophobicContact CG-CE2 4.5Å; L147-F151 HydrophobicContact CD1-CD1 4.2Å; L147-F151 HydrophobicContact CD1-CE1 3.71Å; L147-F151 HydrophobicContact CD1-CE2 4.35Å; L147-F151 HydrophobicContact CD1-CZ 3.8Å; L147-F151 HydrophobicContact CD2-CE2 4.48Å; L147-F151 HydrophobicContact CD2-CZ 4.36Å; L147-F151 HydrophobicContact CG-CE1 4.39Å; L147-F151 HydrophobicContact CG-CE2 4.18Å; L147-F151 HydrophobicContact CG-CZ 4.09Å; L147-F151 PolarHBondContact O-N 2.96Å; Q148-F151 PolarHBondContact O-N 3.43Å; N149-F151 VanDerWaalsContact C-N 3.32Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 3.2Å; F151-L154 HydrophobicContact CD1-CD1 4Å; F151-L154 WeakPolarHBondContact O-CB 3.42Å; F151-L154 PolarHBondContact O-N 3.41Å; F151-E155 WeakPolarHBondContact O-CG 3.39Å; F151-E155 PolarHBondContact O-N 3.47Å; F151-F161 HydrophobicContact CD1-CZ 4.26Å; F151-T163 HydrophobicContact CB-CG2 4.17Å; F151-T163 HydrophobicContact CD2-CG2 3.64Å; F151-T163 HydrophobicContact CE2-CG2 4.36Å; F151-T163 HydrophobicContact CG-CG2 4.24Å; F151-P164 HydrophobicContact CE2-CG 3.8Å; F151-P164 HydrophobicContact CZ-CG 3.8Å; F151-L169 HydrophobicContact CE1-CD2 4.04Å; F151-L169 HydrophobicContact CZ-CD2 4.21Å; F151-L279 HydrophobicContact CE1-CD1 3.54Å; F151-L279 HydrophobicContact CZ-CD1 3.63Å
152	K	98.3	Very high	96.8	Very high	98 Å²	98	49.6 Å²	49.6	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-39.4	172.8	-71.7	172.6	-175.5	172	0	112.5	Q148 N149 T156 F255	Q148-K152 WeakPolarHBondContact O-CG 3.17Å; Q148-K152 PolarHBondContact O-N 3.45Å; N149-K152 PolarHBondContact O-N 2.94Å; K152-T156 PolarHBondContact O-N 3.02Å; K152-F255 HydrophobicContact CB-CE1 3.97Å; K152-F255 HydrophobicContact CD-CE1 4.33Å; K152-F255 HydrophobicContact CD-CZ 4.07Å
153	E	98.7	Very high	97.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-47.8	174.7	178.2	61.9	-170.5	0	0	110.9	N149 I150 F151 E155 T156 D157 F254 F255 G256 C257 K258 F260	N149-E153 PolarHBondContact O-N 2.97Å; N149-E153 VanDerWaalsContact O-N 3.07Å; I150-E153 PolarHBondContact O-N 3.23Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 3.2Å; E153-E155 VanDerWaalsContact C-N 3.32Å; E153-E155 PolarHBondContact O-N 2.87Å; E153-T156 CarbonylContact O-C 3.53Å; E153-T156 PolarHBondContact O-N 2.83Å; E153-T156 PolarHBondContact O-OG1 3.21Å; E153-D157 VanDerWaalsContact O-CB 3.26Å; E153-D157 WeakPolarHBondContact O-CB 3.45Å; E153-D157 PolarHBondContact O-N 3.38Å; E153-F254 HydrophobicContact CB-CD1 4.31Å; E153-F254 HydrophobicContact CB-CE1 3.66Å; E153-F254 HydrophobicContact CB-CZ 4.38Å; E153-F254 HydrophobicContact CG-CE1 4.09Å; E153-F254 HydrophobicContact CG-CZ 4.43Å; E153-F255 VanDerWaalsContact OE2-CA 3.28Å; E153-F255 WeakPolarHBondContact OE2-CA 3.45Å; E153-G256 PolarHBondContact OE2-N 2.98Å; E153-C257 PolarHBondContact OE1-N 3.38Å; E153-K258 WeakPolarHBondContact OE1-CA 3.48Å; E153-K258 PolarHBondContact OE1-N 3.33Å; E153-F260 HydrophobicContact CB-CE2 4.34Å; E153-F260 HydrophobicContact CG-CD2 4.21Å; E153-F260 HydrophobicContact CG-CE2 3.92Å
154	L	98.5	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-41.8	177.6	-82.7	158.1	0	0	0	113.2	I150 F151 T156 D157 I158 F161 W172 F260 W277	I150-L154 HydrophobicContact CG2-CD1 4Å; I150-L154 PolarHBondContact O-N 2.95Å; F151-L154 HydrophobicContact CD1-CD1 4Å; F151-L154 WeakPolarHBondContact O-CB 3.42Å; F151-L154 PolarHBondContact O-N 3.41Å; L154-T156 PolarHBondContact O-N 2.88Å; L154-D157 PolarHBondContact O-N 3.29Å; L154-I158 HydrophobicContact CD2-CG1 3.8Å; L154-I158 PolarHBondContact O-N 3.26Å; L154-F161 HydrophobicContact CB-CD1 3.57Å; L154-F161 HydrophobicContact CB-CD2 4.31Å; L154-F161 HydrophobicContact CB-CE1 3.55Å; L154-F161 HydrophobicContact CB-CE2 4.31Å; L154-F161 HydrophobicContact CB-CG 3.96Å; L154-F161 HydrophobicContact CB-CZ 3.95Å; L154-F161 HydrophobicContact CD1-CE1 4.22Å; L154-F161 HydrophobicContact CD1-CE2 4.09Å; L154-F161 HydrophobicContact CD1-CZ 3.8Å; L154-F161 HydrophobicContact CD2-CD2 4.42Å; L154-F161 HydrophobicContact CD2-CE2 4.48Å; L154-F161 HydrophobicContact CG-CE1 4.46Å; L154-F161 HydrophobicContact CG-CZ 4.39Å; L154-W172 HydrophobicContact CD1-CH2 3.55Å; L154-W172 HydrophobicContact CD1-CZ2 3.52Å; L154-F260 HydrophobicContact CD1-CE1 4.22Å; L154-F260 HydrophobicContact CD1-CE2 4.32Å; L154-F260 HydrophobicContact CD1-CZ 4.05Å; L154-F260 HydrophobicContact CD2-CB 3.97Å; L154-F260 HydrophobicContact CD2-CD1 3.62Å; L154-F260 HydrophobicContact CD2-CD2 3.61Å; L154-F260 HydrophobicContact CD2-CE1 3.96Å; L154-F260 HydrophobicContact CD2-CE2 3.97Å; L154-F260 HydrophobicContact CD2-CG 3.44Å; L154-F260 VanDerWaalsContact CD2-CG 3.44Å; L154-F260 HydrophobicContact CD2-CZ 4.14Å; L154-F260 HydrophobicContact CG-CD1 4.24Å; L154-F260 HydrophobicContact CG-CD2 3.75Å; L154-F260 HydrophobicContact CG-CE1 4.11Å; L154-F260 HydrophobicContact CG-CE2 3.62Å; L154-F260 HydrophobicContact CG-CG 4.07Å; L154-F260 HydrophobicContact CG-CZ 3.83Å; L154-W277 HydrophobicContact CD2-CB 3.95Å; L154-W277 HydrophobicContact CD2-CG 4.21Å
155	E	98	Very high	97.5	Very high	102 Å²	102	52.6 Å²	52.6	48%	0.477	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-31.7	176.1	-74	175.7	162.1	0	0	112.7	F151 E153 F161 T163	F151-E155 WeakPolarHBondContact O-CG 3.39Å; F151-E155 PolarHBondContact O-N 3.47Å; E153-E155 VanDerWaalsContact C-N 3.32Å; E153-E155 PolarHBondContact O-N 2.87Å; E155-F161 HydrophobicContact CG-CD1 4.01Å; E155-F161 HydrophobicContact CG-CE1 4.38Å; E155-T163 VanDerWaalsContact CD-OG1 3.24Å; E155-T163 VanDerWaalsContact OE1-CB 3.3Å; E155-T163 WeakPolarHBondContact OE1-CB 3.5Å; E155-T163 PolarHBondContact OE1-OG1 3.2Å
156	T	97.9	Very high	97.4	Very high	97 Å²	97	51.9 Å²	51.9	60%	0.595	29%	0.289	S	S	*	.	H	α-helix	trans	-94.1	-18.8	178.9	66.3	0	0	0	0	114.1	K152 E153 L154	K152-T156 PolarHBondContact O-N 3.02Å; E153-T156 CarbonylContact O-C 3.53Å; E153-T156 PolarHBondContact O-N 2.83Å; E153-T156 PolarHBondContact O-OG1 3.21Å; L154-T156 PolarHBondContact O-N 2.88Å
157	D	98.6	Very high	97.3	Very high	18 Å²	18	51 Å²	51	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-98.6	-43.4	-174.3	-169.4	23.3	0	0	0	112.7	E153 L154 K258 C259 F260 S261	E153-D157 VanDerWaalsContact O-CB 3.26Å; E153-D157 WeakPolarHBondContact O-CB 3.45Å; E153-D157 PolarHBondContact O-N 3.38Å; L154-D157 PolarHBondContact O-N 3.29Å; D157-K258 WeakPolarHBondContact OD1-CA 3.46Å; D157-K258 VanDerWaalsContact OD1-CB 3.25Å; D157-K258 WeakPolarHBondContact OD1-CB 3.11Å; D157-K258 VanDerWaalsContact OD2-CA 3.3Å; D157-K258 WeakPolarHBondContact OD2-CA 3.22Å; D157-C259 PolarHBondContact OD2-N 2.74Å; D157-F260 WeakPolarHBondContact OD2-CA 3.45Å; D157-F260 VanDerWaalsContact OD2-CB 3.27Å; D157-F260 WeakPolarHBondContact OD2-CB 3.47Å; D157-F260 PolarHBondContact OD2-N 3.36Å; D157-S261 WeakPolarHBondContact OD1-CB 3.48Å; D157-S261 PolarHBondContact OD1-OG 2.88Å; D157-S261 PolarHBondContact OD2-N 3.39Å
158	I	98.4	Very high	97.3	Very high	36 Å²	36	51.9 Å²	51.9	19%	0.185	29%	0.289	C	S	.	.	S	Bend	trans	-106	108.7	-175.4	-57.9	-59.4	0	0	0	109.9	L154 G160 F161 F260 W277	L154-I158 HydrophobicContact CD2-CG1 3.8Å; L154-I158 PolarHBondContact O-N 3.26Å; I158-G160 PolarHBondContact O-N 3.27Å; I158-F161 HydrophobicContact CB-CB 4.01Å; I158-F161 HydrophobicContact CG2-CB 4.12Å; I158-F161 VanDerWaalsContact O-CB 3.31Å; I158-F161 WeakPolarHBondContact O-CB 3.41Å; I158-F161 PolarHBondContact O-N 2.85Å; I158-F260 HydrophobicContact CD1-CB 3.79Å; I158-F260 HydrophobicContact CG1-CB 3.86Å; I158-W277 HydrophobicContact CG1-CG 4.37Å
159	S	97.1	Very high	97.3	Very high	128 Å²	128	47.9 Å²	47.9	90%	0.895	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	123.8	177.4	-179.4	0	0	0	0	111.5	F161	S159-F161 VanDerWaalsContact C-N 3.34Å
160	G	95.8	Very high	97.3	Very high	68 Å²	68	49.3 Å²	49.3	70%	0.701	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-2	178.6	0	0	0	0	0	115.2	I158 K162	I158-G160 PolarHBondContact O-N 3.27Å; G160-K162 PolarHBondContact O-N 3.27Å
161	F	97.9	Very high	97.3	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.083	30%	0.295	C	S	.	.			trans	-62	135	173.8	-179.7	-93.1	0	0	0	111	F151 L154 E155 I158 S159 W277	F151-F161 HydrophobicContact CD1-CZ 4.26Å; L154-F161 HydrophobicContact CB-CD1 3.57Å; L154-F161 HydrophobicContact CB-CD2 4.31Å; L154-F161 HydrophobicContact CB-CE1 3.55Å; L154-F161 HydrophobicContact CB-CE2 4.31Å; L154-F161 HydrophobicContact CB-CG 3.96Å; L154-F161 HydrophobicContact CB-CZ 3.95Å; L154-F161 HydrophobicContact CD1-CE1 4.22Å; L154-F161 HydrophobicContact CD1-CE2 4.09Å; L154-F161 HydrophobicContact CD1-CZ 3.8Å; L154-F161 HydrophobicContact CD2-CD2 4.42Å; L154-F161 HydrophobicContact CD2-CE2 4.48Å; L154-F161 HydrophobicContact CG-CE1 4.46Å; L154-F161 HydrophobicContact CG-CZ 4.39Å; E155-F161 HydrophobicContact CG-CD1 4.01Å; E155-F161 HydrophobicContact CG-CE1 4.38Å; I158-F161 HydrophobicContact CB-CB 4.01Å; I158-F161 HydrophobicContact CG2-CB 4.12Å; I158-F161 VanDerWaalsContact O-CB 3.31Å; I158-F161 WeakPolarHBondContact O-CB 3.41Å; I158-F161 PolarHBondContact O-N 2.85Å; S159-F161 VanDerWaalsContact C-N 3.34Å; F161-W277 VanDerWaalsContact CE2-O 3.28Å; F161-W277 WeakPolarHBondContact CE2-O 3.46Å
162	K	96.8	Very high	97.3	Very high	152 Å²	152	51.5 Å²	51.5	66%	0.661	30%	0.295	S	S	*	.			trans	-121.8	124.6	175.6	-65.3	-178	-177.2	176.9	0	109.3	G160 P164 N280	G160-K162 PolarHBondContact O-N 3.27Å; K162-P164 WeakPolarHBondContact O-CD 3.43Å; K162-N280 PolarHBondContact O-ND2 3.25Å
163	T	97.2	Very high	97.3	Very high	42 Å²	42	46.9 Å²	46.9	26%	0.258	27%	0.274	S	S	.	.			trans	-58.2	122.4	177.8	-71.6	0	0	0	0	111.1	F151 E155	F151-T163 HydrophobicContact CB-CG2 4.17Å; F151-T163 HydrophobicContact CD2-CG2 3.64Å; F151-T163 HydrophobicContact CE2-CG2 4.36Å; F151-T163 HydrophobicContact CG-CG2 4.24Å; E155-T163 VanDerWaalsContact CD-OG1 3.24Å; E155-T163 VanDerWaalsContact OE1-CB 3.3Å; E155-T163 WeakPolarHBondContact OE1-CB 3.5Å; E155-T163 PolarHBondContact OE1-OG1 3.2Å
164	P	96.5	Very high	97.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.			trans	-73.5	160.7	178.8	32.8	-39.8	0	0	0	112.4	K143 F151 K162 H166 L279	K143-P164 PolarHBondContact NZ-O 2.85Å; F151-P164 HydrophobicContact CE2-CG 3.8Å; F151-P164 HydrophobicContact CZ-CG 3.8Å; K162-P164 WeakPolarHBondContact O-CD 3.43Å; P164-H166 PolarHBondContact O-N 3.26Å; P164-L279 HydrophobicContact CB-CB 4.07Å; P164-L279 HydrophobicContact CG-CB 3.7Å; P164-L279 HydrophobicContact CG-CD1 3.82Å; P164-L279 HydrophobicContact CG-CG 4.41Å
165	N	94.6	Very high	97.3	Very high	162 Å²	162	56.5 Å²	56.5	87%	0.866	32%	0.317	S	S	*	.	S	Bend	trans	-76.9	-4.2	175.5	-72	-15.2	0	0	0	113.7
166	H	94.5	Very high	97.3	Very high	57 Å²	57	51.6 Å²	51.6	26%	0.264	29%	0.294	S	S	.	.	S	Bend	trans	-119	173.1	174.3	60.1	69.2	0	0	0	112.3	P139 P164 C168 L279	P139-H166 HydrophobicContact CB-CB 4.3Å; P164-H166 PolarHBondContact O-N 3.26Å; H166-C168 PolarHBondContact CE1-O 3.49Å; H166-C168 PolarHBondContact ND1-N 2.88Å; H166-C168 PolarHBondContact ND1-O 3.46Å; H166-L279 PolarHBondContact CE1-O 2.95Å; H166-L279 PolarHBondContact NE2-O 3.13Å
167	G	94.6	Very high	97.3	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.			trans	-110.5	13.7	174.5	0	0	0	0	0	115.2	V137 L147	V137-G167 PolarHBondContact N-O 3.08Å; V137-G167 CarbonylContact O-C 3.53Å; L147-G167 VanDerWaalsContact CD2-CA 3.48Å; L147-G167 WeakPolarHBondContact CD2-O 3.32Å
168	C	96.5	Very high	97.4	Very high	18 Å²	18	46.2 Å²	46.2	12%	0.122	26%	0.262	C	S	.	.			trans	-80.4	122.9	-178.1	-171.6	0	0	0	0	111.9	V137 P139 H166 T170	V137-C168 WeakPolarHBondContact O-CA 3.38Å; V137-C168 WeakPolarHBondContact O-CB 3.46Å; V137-C168 PolarHBondContact O-N 2.63Å; P139-C168 HydrophobicContact CG-CB 4.08Å; H166-C168 PolarHBondContact CE1-O 3.49Å; H166-C168 PolarHBondContact ND1-N 2.88Å; H166-C168 PolarHBondContact ND1-O 3.46Å; C168-T170 PolarHBondContact SG-OG1 3.42Å
169	L	98.4	Very high	97.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.253	C	S	.	.			trans	-103.1	17.5	-179.2	-52.9	-179.8	0	0	0	113.2	F135 S136 L147 F151 S171 W172 A173 L179 L279	F135-L169 HydrophobicContact CB-CD1 4.25Å; S136-L169 WeakPolarHBondContact OG-CB 3.14Å; S136-L169 PolarHBondContact OG-N 2.7Å; L147-L169 HydrophobicContact CD1-CD1 4.21Å; L147-L169 HydrophobicContact CD1-CD2 4.23Å; F151-L169 HydrophobicContact CE1-CD2 4.04Å; F151-L169 HydrophobicContact CZ-CD2 4.21Å; L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 2.94Å; L169-W172 HydrophobicContact CB-CD2 4.4Å; L169-W172 HydrophobicContact CB-CE3 4.14Å; L169-W172 HydrophobicContact CD1-CE3 3.97Å; L169-W172 HydrophobicContact CD1-CZ3 3.78Å; L169-W172 HydrophobicContact CD2-CD2 4.18Å; L169-W172 HydrophobicContact CD2-CE3 3.96Å; L169-W172 HydrophobicContact CD2-CH2 3.88Å; L169-W172 HydrophobicContact CD2-CZ2 4.12Å; L169-W172 HydrophobicContact CD2-CZ3 3.82Å; L169-W172 HydrophobicContact CG-CE3 4.24Å; L169-W172 HydrophobicContact CG-CZ3 4.3Å; L169-W172 WeakPolarHBondContact O-CB 3.49Å; L169-W172 PolarHBondContact O-N 3.15Å; L169-W172 VanDerWaalsContact O-N 3.11Å; L169-A173 PolarHBondContact O-N 3.31Å; L169-L179 HydrophobicContact CB-CD1 3.7Å; L169-L179 HydrophobicContact CD1-CD1 4.48Å; L169-L179 HydrophobicContact CD1-CD2 4.46Å; L169-L279 HydrophobicContact CD2-CD1 3.58Å; L169-L279 HydrophobicContact CD2-CD2 4.33Å
170	T	98.1	Very high	97.5	Very high	33 Å²	33	38.5 Å²	38.5	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-31.2	-177.1	-64.9	0	0	0	0	113.1	L97 C168 W172 A173 K174	L97-T170 HydrophobicContact CD1-CG2 4.18Å; L97-T170 HydrophobicContact CD2-CG2 4.27Å; C168-T170 PolarHBondContact SG-OG1 3.42Å; T170-W172 VanDerWaalsContact C-N 3.33Å; T170-W172 PolarHBondContact O-N 3.08Å; T170-A173 WeakPolarHBondContact O-CB 3.41Å; T170-A173 PolarHBondContact O-N 3.22Å; T170-K174 WeakPolarHBondContact O-CG 3.3Å; T170-K174 PolarHBondContact O-N 3.15Å; T170-K174 VanDerWaalsContact O-N 3.12Å
171	S	98	Very high	97.6	Very high	49 Å²	49	35.6 Å²	35.6	34%	0.343	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-37.4	174.6	50.7	0	0	0	0	112	L169 A173 K174 E175 L279	L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 2.94Å; S171-A173 VanDerWaalsContact C-N 3.33Å; S171-A173 PolarHBondContact O-N 3.23Å; S171-K174 PolarHBondContact O-N 3.08Å; S171-E175 WeakPolarHBondContact O-CG 3.29Å; S171-E175 PolarHBondContact O-N 2.97Å; S171-L279 WeakPolarHBondContact OG-CD2 3.26Å
172	W	98.7	Very high	97.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-40.2	172.7	-63.7	-5	0	0	0	112	I150 L154 L169 T170 K174 E175 G176 V177 L179 F260 W277 L279	I150-W172 HydrophobicContact CG2-CH2 4.03Å; L154-W172 HydrophobicContact CD1-CH2 3.55Å; L154-W172 HydrophobicContact CD1-CZ2 3.52Å; L169-W172 HydrophobicContact CB-CD2 4.4Å; L169-W172 HydrophobicContact CB-CE3 4.14Å; L169-W172 HydrophobicContact CD1-CE3 3.97Å; L169-W172 HydrophobicContact CD1-CZ3 3.78Å; L169-W172 HydrophobicContact CD2-CD2 4.18Å; L169-W172 HydrophobicContact CD2-CE3 3.96Å; L169-W172 HydrophobicContact CD2-CH2 3.88Å; L169-W172 HydrophobicContact CD2-CZ2 4.12Å; L169-W172 HydrophobicContact CD2-CZ3 3.82Å; L169-W172 HydrophobicContact CG-CE3 4.24Å; L169-W172 HydrophobicContact CG-CZ3 4.3Å; L169-W172 WeakPolarHBondContact O-CB 3.49Å; L169-W172 PolarHBondContact O-N 3.15Å; L169-W172 VanDerWaalsContact O-N 3.11Å; T170-W172 VanDerWaalsContact C-N 3.33Å; T170-W172 PolarHBondContact O-N 3.08Å; W172-K174 VanDerWaalsContact C-N 3.28Å; W172-K174 PolarHBondContact O-N 2.95Å; W172-E175 WeakPolarHBondContact O-CB 3.45Å; W172-E175 PolarHBondContact O-N 2.98Å; W172-E175 VanDerWaalsContact O-N 3.09Å; W172-G176 PolarHBondContact O-N 2.76Å; W172-V177 HydrophobicContact CB-CB 4.05Å; W172-V177 HydrophobicContact CB-CG2 4.01Å; W172-V177 VanDerWaalsContact O-CB 3.23Å; W172-V177 WeakPolarHBondContact O-CB 3.44Å; W172-V177 VanDerWaalsContact O-CG2 3.31Å; W172-V177 WeakPolarHBondContact O-CG2 3.42Å; W172-V177 PolarHBondContact O-N 3.29Å; W172-L179 HydrophobicContact CB-CD1 4.5Å; W172-L179 HydrophobicContact CE3-CD2 4.4Å; W172-F260 HydrophobicContact CH2-CE1 4.15Å; W172-F260 HydrophobicContact CZ3-CE1 4.39Å; W172-W277 AromaticContact CD2-CE3 3.87Å; W172-W277 HydrophobicContact CD2-CE3 3.87Å; W172-W277 HydrophobicContact CD2-CZ3 4.06Å; W172-W277 AromaticContact CE2-CE3 3.74Å; W172-W277 HydrophobicContact CE3-CE3 4.32Å; W172-W277 HydrophobicContact CE3-CZ3 4.16Å; W172-W277 HydrophobicContact CG-CE3 4.2Å; W172-W277 HydrophobicContact CG-CZ3 4.39Å; W172-W277 HydrophobicContact CZ2-CE3 4.12Å; W172-W277 AromaticContact NE1-CE3 3.92Å; W172-W277 PolarHBondContact NE1-O 3.35Å; W172-L279 VanDerWaalsContact CD1-CD2 3.5Å; W172-L279 HydrophobicContact CD2-CD2 4.33Å; W172-L279 HydrophobicContact CG-CD2 4.16Å; W172-L279 HydrophobicContact CZ2-CD1 3.89Å; W172-L279 HydrophobicContact CZ2-CD2 4.44Å; W172-L279 HydrophobicContact CZ2-CG 4.26Å
173	A	98.7	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-42.7	175.8	0	0	0	0	0	111.8	L97 T98 L133 L169 T170 S171 E175 G176 V177 L179	L97-A173 HydrophobicContact CB-CB 3.88Å; T98-A173 WeakPolarHBondContact OG1-CA 3.33Å; T98-A173 PolarHBondContact OG1-O 3.43Å; L133-A173 HydrophobicContact CD1-CB 4.25Å; L169-A173 PolarHBondContact O-N 3.31Å; T170-A173 WeakPolarHBondContact O-CB 3.41Å; T170-A173 PolarHBondContact O-N 3.22Å; S171-A173 VanDerWaalsContact C-N 3.33Å; S171-A173 PolarHBondContact O-N 3.23Å; A173-E175 VanDerWaalsContact C-N 3.3Å; A173-E175 PolarHBondContact O-N 3.47Å; A173-G176 PolarHBondContact O-N 2.89Å; A173-V177 WeakPolarHBondContact CA-O 3.45Å; A173-L179 HydrophobicContact CB-CD1 4.42Å
174	K	98.3	Very high	97.8	Very high	137 Å²	137	26.1 Å²	26.1	60%	0.596	14%	0.135	S	C	*	.	H	α-helix	trans	-67.5	-27	175.6	-67.4	177.6	177	-178.1	0	113.5	T170 S171 W172 G176	T170-K174 WeakPolarHBondContact O-CG 3.3Å; T170-K174 PolarHBondContact O-N 3.15Å; T170-K174 VanDerWaalsContact O-N 3.12Å; S171-K174 PolarHBondContact O-N 3.08Å; W172-K174 VanDerWaalsContact C-N 3.28Å; W172-K174 PolarHBondContact O-N 2.95Å; K174-G176 PolarHBondContact O-N 3.23Å
175	E	98.2	Very high	97.8	Very high	66 Å²	66	26.1 Å²	26.1	31%	0.308	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.9	174.4	-76.1	-70.1	115.3	0	0	113.6	K104 S171 W172 A173 I275 N276	K104-E175 WeakPolarHBondContact CD-O 3.37Å; K104-E175 WeakPolarHBondContact CE-O 3.26Å; K104-E175 PolarHBondContact NZ-O 3.09Å; S171-E175 WeakPolarHBondContact O-CG 3.29Å; S171-E175 PolarHBondContact O-N 2.97Å; W172-E175 WeakPolarHBondContact O-CB 3.45Å; W172-E175 PolarHBondContact O-N 2.98Å; W172-E175 VanDerWaalsContact O-N 3.09Å; A173-E175 VanDerWaalsContact C-N 3.3Å; A173-E175 PolarHBondContact O-N 3.47Å; E175-I275 HydrophobicContact CB-CD1 4.19Å; E175-I275 HydrophobicContact CB-CG2 4Å; E175-I275 WeakPolarHBondContact O-CD1 3.15Å; E175-N276 HydrophobicContact CG-CB 4.33Å; E175-N276 PolarHBondContact OE2-N 2.92Å; E175-N276 VanDerWaalsContact OE2-N 3.13Å
176	G	98.5	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	17.6	-178.4	0	0	0	0	0	114.5	Q102 K104 V105 W172 A173 K174	Q102-G176 WeakPolarHBondContact O-CA 3.31Å; K104-G176 PolarHBondContact N-O 2.78Å; V105-G176 PolarHBondContact N-O 3.35Å; V105-G176 VanDerWaalsContact N-O 3.11Å; W172-G176 PolarHBondContact O-N 2.76Å; A173-G176 PolarHBondContact O-N 2.89Å; K174-G176 PolarHBondContact O-N 3.23Å
177	V	98.9	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	104.6	175.9	-171.8	0	0	0	0	110.3	T98 V105 W172 A173 L179 I275 W277	T98-V177 PolarHBondContact OG1-O 3.23Å; V105-V177 HydrophobicContact CB-CB 4.5Å; V105-V177 HydrophobicContact CB-CG1 4.2Å; V105-V177 HydrophobicContact CB-CG2 4.2Å; V105-V177 HydrophobicContact CG1-CG1 4.28Å; V105-V177 CarbonylContact O-C 3.59Å; V105-V177 WeakPolarHBondContact O-CA 3.27Å; W172-V177 HydrophobicContact CB-CB 4.05Å; W172-V177 HydrophobicContact CB-CG2 4.01Å; W172-V177 VanDerWaalsContact O-CB 3.23Å; W172-V177 WeakPolarHBondContact O-CB 3.44Å; W172-V177 VanDerWaalsContact O-CG2 3.31Å; W172-V177 WeakPolarHBondContact O-CG2 3.42Å; W172-V177 PolarHBondContact O-N 3.29Å; A173-V177 WeakPolarHBondContact CA-O 3.45Å; V177-L179 HydrophobicContact CG1-CD2 3.95Å; V177-L179 HydrophobicContact CG1-CG 4.12Å; V177-L179 PolarHBondContact O-N 3.24Å; V177-L179 VanDerWaalsContact O-N 3.07Å; V177-I275 HydrophobicContact CG2-CD1 3.83Å; V177-I275 HydrophobicContact CG2-CG1 4Å; V177-I275 HydrophobicContact CG2-CG2 3.88Å; V177-W277 HydrophobicContact CG2-CH2 4.04Å; V177-W277 HydrophobicContact CG2-CZ3 3.92Å
178	L	98.9	Very high	98	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	99.8	174.4	179.5	62.5	0	0	0	110.1	W54 A94 L95 T98 V103 V105 V106 L107 L180 V206 V210	W54-L178 HydrophobicContact CH2-CD2 3.99Å; W54-L178 HydrophobicContact CZ2-CD1 4.4Å; W54-L178 HydrophobicContact CZ2-CD2 4.05Å; A94-L178 HydrophobicContact CB-CD1 4.12Å; A94-L178 WeakPolarHBondContact O-CD1 3.44Å; L95-L178 HydrophobicContact CD2-CD1 3.94Å; T98-L178 HydrophobicContact CG2-CB 4.25Å; V103-L178 HydrophobicContact CG1-CB 4.35Å; V103-L178 HydrophobicContact CG2-CB 4.44Å; V105-L178 PolarHBondContact O-N 2.98Å; V106-L178 HydrophobicContact CG1-CD2 4.39Å; V106-L178 HydrophobicContact CG2-CB 4.27Å; V106-L178 HydrophobicContact CG2-CD2 4.25Å; L107-L178 PolarHBondContact N-O 2.76Å; L178-L180 HydrophobicContact CG-CB 4.25Å; L178-L180 PolarHBondContact O-N 2.84Å; L178-V206 HydrophobicContact CD2-CG1 4.15Å; L178-V210 HydrophobicContact CD2-CG2 4.17Å
179	L	98.8	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	73.4	-179.1	-65.5	164.3	0	0	0	111.2	A94 L107 L133 C134 L169 W172 A173 V177	A94-L179 WeakPolarHBondContact CB-O 3.35Å; L107-L179 HydrophobicContact CB-CD2 4.19Å; L107-L179 HydrophobicContact CD2-CD2 3.72Å; L107-L179 HydrophobicContact CG-CD2 4.5Å; L133-L179 WeakPolarHBondContact CA-O 3.45Å; L133-L179 HydrophobicContact CB-CB 3.95Å; L133-L179 HydrophobicContact CB-CD1 4.07Å; L133-L179 HydrophobicContact CD1-CD1 4.01Å; L133-L179 HydrophobicContact CD2-CB 4.27Å; L133-L179 HydrophobicContact CG-CD1 4.47Å; C134-L179 PolarHBondContact N-O 3.36Å; C134-L179 VanDerWaalsContact SG-CA 3.53Å; L169-L179 HydrophobicContact CB-CD1 3.7Å; L169-L179 HydrophobicContact CD1-CD1 4.48Å; L169-L179 HydrophobicContact CD1-CD2 4.46Å; W172-L179 HydrophobicContact CB-CD1 4.5Å; W172-L179 HydrophobicContact CE3-CD2 4.4Å; A173-L179 HydrophobicContact CB-CD1 4.42Å; V177-L179 HydrophobicContact CG1-CD2 3.95Å; V177-L179 HydrophobicContact CG1-CG 4.12Å; V177-L179 PolarHBondContact O-N 3.24Å; V177-L179 VanDerWaalsContact O-N 3.07Å
180	L	98.8	Very high	97.6	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.3	-170.1	-173.6	65.1	0	0	0	112.3	L107 I108 G109 C134 L178 L184 T203 V206 I207	L107-L180 PolarHBondContact O-N 3.34Å; I108-L180 CarbonylContact C-O 3.16Å; I108-L180 VanDerWaalsContact CA-O 3.29Å; I108-L180 WeakPolarHBondContact CA-O 3.48Å; G109-L180 PolarHBondContact N-O 3.18Å; C134-L180 WeakPolarHBondContact CB-O 3.39Å; L178-L180 HydrophobicContact CG-CB 4.25Å; L178-L180 PolarHBondContact O-N 2.84Å; L180-L184 HydrophobicContact CD1-CD2 3.91Å; L180-T203 HydrophobicContact CD1-CG2 4.37Å; L180-V206 HydrophobicContact CD2-CB 4.2Å; L180-V206 HydrophobicContact CD2-CG1 3.84Å; L180-I207 HydrophobicContact CD2-CG1 4.22Å
181	N	98.5	Very high	97.3	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	147.2	161.2	-70.2	-48.4	0	0	0	109.8	G109 D111 C134 T183 L184 T203	G109-N181 CarbonylContact O-C 3.55Å; G109-N181 WeakPolarHBondContact O-CA 3.19Å; D111-N181 PolarHBondContact O-OD1 2.9Å; C134-N181 WeakPolarHBondContact CB-OD1 3.27Å; N181-T183 VanDerWaalsContact C-N 3.33Å; N181-T183 WeakPolarHBondContact CB-O 3.41Å; N181-L184 HydrophobicContact CB-CD2 4.44Å; N181-L184 WeakPolarHBondContact O-CD2 3.45Å; N181-T203 VanDerWaalsContact O-CG2 3.32Å; N181-T203 WeakPolarHBondContact O-CG2 3.36Å
182	A	98.2	Very high	97.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	16%	0.155	C	C	.	.	S	Bend	trans	-74	-26.2	174.1	0	0	0	0	0	113	G109 Q110 W199 Q200 T203 F225	G109-A182 PolarHBondContact O-N 3.46Å; Q110-A182 PolarHBondContact O-N 2.85Å; A182-W199 CarbonylContact O-C 3.56Å; A182-Q200 HydrophobicContact CB-CG 4.26Å; A182-Q200 WeakPolarHBondContact O-CA 3.39Å; A182-Q200 WeakPolarHBondContact O-CG 3.46Å; A182-Q200 PolarHBondContact O-N 2.92Å; A182-T203 WeakPolarHBondContact O-CG2 3.31Å; A182-T203 PolarHBondContact O-OG1 3.1Å; A182-F225 HydrophobicContact CB-CE1 3.49Å; A182-F225 VanDerWaalsContact CB-CE1 3.49Å; A182-F225 HydrophobicContact CB-CZ 3.6Å
183	T	98.5	Very high	97.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-114.8	119.5	167.2	-60.4	0	0	0	0	107.2	Q110 P112 N181 T185 H194 W199	Q110-T183 PolarHBondContact O-N 3.28Å; P112-T183 WeakPolarHBondContact CD-O 3.42Å; N181-T183 VanDerWaalsContact C-N 3.33Å; N181-T183 WeakPolarHBondContact CB-O 3.41Å; T183-T185 VanDerWaalsContact CG2-O 3.29Å; T183-T185 WeakPolarHBondContact CG2-O 3.09Å; T183-H194 HydrophobicContact CG2-CB 3.85Å; T183-H194 WeakPolarHBondContact CG2-O 3.36Å; T183-W199 HydrophobicContact CG2-CB 4.18Å; T183-W199 HydrophobicContact CG2-CG 4.24Å
184	L	98.7	Very high	97.1	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.058	17%	0.17	C	C	.	.			trans	-82.5	-14.7	-169.8	-62.3	-173.1	0	0	0	114.2	P86 I91 F92 P112 L180 N181 W199 F202 T203	P86-L184 WeakPolarHBondContact CD-O 3.36Å; I91-L184 HydrophobicContact CG2-CB 4.26Å; I91-L184 HydrophobicContact CG2-CD1 4.46Å; F92-L184 HydrophobicContact CD1-CD1 3.91Å; F92-L184 HydrophobicContact CE1-CD1 3.71Å; P112-L184 WeakPolarHBondContact CG-O 2.99Å; L180-L184 HydrophobicContact CD1-CD2 3.91Å; N181-L184 HydrophobicContact CB-CD2 4.44Å; N181-L184 WeakPolarHBondContact O-CD2 3.45Å; L184-W199 HydrophobicContact CB-CD2 3.88Å; L184-W199 HydrophobicContact CB-CE3 3.96Å; L184-W199 HydrophobicContact CB-CG 4.46Å; L184-W199 HydrophobicContact CB-CH2 4.23Å; L184-W199 HydrophobicContact CB-CZ2 4.1Å; L184-W199 HydrophobicContact CB-CZ3 4.16Å; L184-W199 HydrophobicContact CD1-CE3 3.83Å; L184-W199 HydrophobicContact CD1-CH2 4.25Å; L184-W199 HydrophobicContact CD1-CZ3 3.67Å; L184-W199 HydrophobicContact CG-CD2 4.24Å; L184-W199 HydrophobicContact CG-CE3 3.9Å; L184-W199 HydrophobicContact CG-CZ3 4.19Å; L184-F202 HydrophobicContact CD1-CD1 3.88Å; L184-F202 HydrophobicContact CD1-CE1 3.9Å; L184-T203 HydrophobicContact CD1-CG2 4.3Å; L184-T203 HydrophobicContact CD2-CG2 3.85Å; L184-T203 HydrophobicContact CG-CG2 3.86Å
185	T	98.3	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.			trans	-134.3	160.6	178.3	60.4	0	0	0	0	112.5	L74 I84 F85 I91 T183 H194 W199	L74-T185 HydrophobicContact CD1-CG2 4.38Å; I84-T185 HydrophobicContact CG2-CG2 4.15Å; F85-T185 CarbonylContact O-C 3.48Å; F85-T185 WeakPolarHBondContact O-CA 3.38Å; I91-T185 HydrophobicContact CD1-CG2 3.82Å; I91-T185 HydrophobicContact CG1-CG2 3.75Å; I91-T185 HydrophobicContact CG2-CG2 4.42Å; T183-T185 VanDerWaalsContact CG2-O 3.29Å; T183-T185 WeakPolarHBondContact CG2-O 3.09Å; T185-H194 WeakPolarHBondContact O-CB 3.48Å; T185-H194 PolarHBondContact O-ND1 2.97Å; T185-H194 PolarHBondContact OG1-ND1 2.8Å; T185-W199 HydrophobicContact CG2-CZ2 3.97Å; T185-W199 PolarHBondContact OG1-NE1 3.45Å
186	V	97.1	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151.4	175.6	67.8	0	0	0	0	109.9	I84 F85 P112 H114 Q190	I84-V186 CarbonylContact C-O 3.55Å; I84-V186 WeakPolarHBondContact CA-O 3.23Å; I84-V186 WeakPolarHBondContact CG2-O 3.38Å; F85-V186 HydrophobicContact CB-CG1 3.99Å; F85-V186 PolarHBondContact N-O 2.86Å; F85-V186 PolarHBondContact O-N 3.05Å; P112-V186 HydrophobicContact CB-CG1 3.93Å; P112-V186 HydrophobicContact CG-CG1 4.21Å; H114-V186 HydrophobicContact CB-CG1 3.94Å; H114-V186 HydrophobicContact CB-CG2 3.87Å; V186-Q190 WeakPolarHBondContact CG2-O 3.35Å
187	E	96.1	Very high	97	Very high	41 Å²	41	31.2 Å²	31.2	19%	0.192	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	141.5	174	-176.9	171.3	166	0	0	110.3	K82 I84 N189 Q190 S193	K82-E187 WeakPolarHBondContact CD-OE1 3.2Å; K82-E187 WeakPolarHBondContact CE-OE1 3.32Å; K82-E187 IonicContact NZ-OE1 3.07Å; K82-E187 PolarHBondContact NZ-OE1 2.8Å; K82-E187 IonicContact NZ-OE2 2.89Å; K82-E187 PolarHBondContact NZ-OE2 2.83Å; I84-E187 HydrophobicContact CD1-CB 3.88Å; I84-E187 HydrophobicContact CD1-CG 4.09Å; E187-N189 PolarHBondContact O-N 3.35Å; E187-Q190 HydrophobicContact CB-CB 4.09Å; E187-Q190 HydrophobicContact CB-CG 4.48Å; E187-Q190 HydrophobicContact CG-CB 4.46Å; E187-Q190 HydrophobicContact CG-CG 4.32Å; E187-Q190 PolarHBondContact O-N 2.94Å; E187-S193 WeakPolarHBondContact CB-OG 3.44Å; E187-S193 PolarHBondContact N-OG 3.43Å
188	K	93.5	Very high	96.9	Very high	51 Å²	51	32 Å²	32	22%	0.222	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	129.1	179.8	176.6	174.3	178.2	172.9	0	110.2	V83 F85 D126 Q190	V83-K188 HydrophobicContact CB-CB 3.84Å; V83-K188 HydrophobicContact CB-CD 3.95Å; V83-K188 HydrophobicContact CG1-CB 4.06Å; V83-K188 HydrophobicContact CG1-CD 3.99Å; V83-K188 HydrophobicContact CG2-CD 4.3Å; V83-K188 WeakPolarHBondContact O-CB 3.21Å; V83-K188 PolarHBondContact O-N 3.05Å; F85-K188 HydrophobicContact CD2-CB 4.37Å; F85-K188 HydrophobicContact CE2-CB 3.7Å; F85-K188 HydrophobicContact CE2-CD 4.4Å; F85-K188 HydrophobicContact CE2-CG 3.8Å; F85-K188 HydrophobicContact CZ-CB 4.15Å; F85-K188 HydrophobicContact CZ-CD 4.16Å; F85-K188 HydrophobicContact CZ-CG 4.09Å; D126-K188 IonicContact OD1-NZ 2.96Å; D126-K188 PolarHBondContact OD1-NZ 3.18Å; K188-Q190 PolarHBondContact O-N 3.41Å
189	N	91.6	Very high	96.9	Very high	85 Å²	85	31.9 Å²	31.9	46%	0.455	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	15.1	-178.5	-57.8	-31.9	0	0	0	115.7	H114 P116 E187	H114-N189 PolarHBondContact O-N 2.79Å; P116-N189 WeakPolarHBondContact CD-OD1 3.47Å; E187-N189 PolarHBondContact O-N 3.35Å
190	Q	94.8	Very high	96.9	Very high	108 Å²	108	34.6 Å²	34.6	51%	0.505	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-127	78	-177.5	-62.8	-68	-16	0	0	110.2	V186 E187 K188 N192 S193	V186-Q190 WeakPolarHBondContact CG2-O 3.35Å; E187-Q190 HydrophobicContact CB-CB 4.09Å; E187-Q190 HydrophobicContact CB-CG 4.48Å; E187-Q190 HydrophobicContact CG-CB 4.46Å; E187-Q190 HydrophobicContact CG-CG 4.32Å; E187-Q190 PolarHBondContact O-N 2.94Å; K188-Q190 PolarHBondContact O-N 3.41Å; Q190-N192 PolarHBondContact O-N 3.4Å; Q190-S193 VanDerWaalsContact O-CB 3.23Å; Q190-S193 WeakPolarHBondContact O-CB 3.36Å; Q190-S193 PolarHBondContact O-N 3.01Å; Q190-S193 PolarHBondContact O-OG 2.96Å
191	P	92.6	Very high	96.9	Very high	74 Å²	74	38 Å²	38	48%	0.481	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	139.6	179.5	18.6	-29.4	0	0	0	111.2	H114 S193	H114-P191 VanDerWaalsContact CD2-CB 3.45Å; H114-P191 WeakPolarHBondContact CD2-CB 3.34Å; P191-S193 PolarHBondContact O-N 3.04Å; P191-S193 VanDerWaalsContact O-N 3.08Å
192	N	95.2	Very high	96.9	Very high	67 Å²	67	37.7 Å²	37.7	36%	0.358	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	13.1	175.2	-158.7	65.4	0	0	0	114.5	Q110 D111 Q190 H194 A195	Q110-N192 PolarHBondContact NE2-OD1 2.88Å; D111-N192 WeakPolarHBondContact OD2-CA 3.36Å; D111-N192 PolarHBondContact OD2-N 3.35Å; Q190-N192 PolarHBondContact O-N 3.4Å; N192-H194 PolarHBondContact O-N 3.44Å; N192-H194 VanDerWaalsContact O-N 3.12Å; N192-A195 VanDerWaalsContact CG-CB 3.48Å; N192-A195 WeakPolarHBondContact ND2-CB 3.18Å; N192-A195 VanDerWaalsContact O-CB 3.27Å; N192-A195 WeakPolarHBondContact O-CB 3.44Å; N192-A195 PolarHBondContact O-N 3.24Å; N192-A195 VanDerWaalsContact O-N 3.08Å; N192-A195 VanDerWaalsContact OD1-CB 3.28Å; N192-A195 WeakPolarHBondContact OD1-CB 3.15Å
193	S	97.7	Very high	96.9	Very high	45 Å²	45	37.7 Å²	37.7	32%	0.315	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.1	-175.5	64	0	0	0	0	114	E187 Q190 P191	E187-S193 WeakPolarHBondContact CB-OG 3.44Å; E187-S193 PolarHBondContact N-OG 3.43Å; Q190-S193 VanDerWaalsContact O-CB 3.23Å; Q190-S193 WeakPolarHBondContact O-CB 3.36Å; Q190-S193 PolarHBondContact O-N 3.01Å; Q190-S193 PolarHBondContact O-OG 2.96Å; P191-S193 PolarHBondContact O-N 3.04Å; P191-S193 VanDerWaalsContact O-N 3.08Å
194	H	98.3	Very high	96.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	13.9	-178.7	-61.9	-178.5	0	0	0	113	F73 T183 T185 N192 S196 I197	F73-H194 AromaticContact CE1-CD2 3.58Å; F73-H194 AromaticContact CE1-NE2 3.54Å; T183-H194 HydrophobicContact CG2-CB 3.85Å; T183-H194 WeakPolarHBondContact CG2-O 3.36Å; T185-H194 WeakPolarHBondContact O-CB 3.48Å; T185-H194 PolarHBondContact O-ND1 2.97Å; T185-H194 PolarHBondContact OG1-ND1 2.8Å; N192-H194 PolarHBondContact O-N 3.44Å; N192-H194 VanDerWaalsContact O-N 3.12Å; H194-S196 PolarHBondContact O-N 3.04Å; H194-S196 VanDerWaalsContact O-N 3.13Å; H194-I197 HydrophobicContact CB-CD1 3.84Å; H194-I197 HydrophobicContact CB-CG1 4.13Å; H194-I197 HydrophobicContact CB-CG2 4.47Å; H194-I197 WeakPolarHBondContact O-CG1 3.49Å; H194-I197 PolarHBondContact O-N 3.05Å
195	A	97.2	Very high	96.9	Very high	17 Å²	17	41.9 Å²	41.9	14%	0.14	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.2	-175	0	0	0	0	0	114.1	N192	N192-A195 VanDerWaalsContact CG-CB 3.48Å; N192-A195 WeakPolarHBondContact ND2-CB 3.18Å; N192-A195 VanDerWaalsContact O-CB 3.27Å; N192-A195 WeakPolarHBondContact O-CB 3.44Å; N192-A195 PolarHBondContact O-N 3.24Å; N192-A195 VanDerWaalsContact O-N 3.08Å; N192-A195 VanDerWaalsContact OD1-CB 3.28Å; N192-A195 WeakPolarHBondContact OD1-CB 3.15Å
196	S	96.8	Very high	96.9	Very high	120 Å²	120	41.9 Å²	41.9	84%	0.839	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	4.6	-173.3	-52.2	0	0	0	0	114.1	H194 G198	H194-S196 PolarHBondContact O-N 3.04Å; H194-S196 VanDerWaalsContact O-N 3.13Å; S196-G198 VanDerWaalsContact C-N 3.28Å; S196-G198 PolarHBondContact O-N 3.19Å
197	I	98	Very high	97	Very high	22 Å²	22	42 Å²	42	11%	0.113	24%	0.236	C	C	.	.	S	Bend	trans	-85.4	3.7	-174.8	77.1	173.4	0	0	0	113.9	I70 F73 L74 H194 W199	I70-I197 HydrophobicContact CG1-CG1 4.38Å; I70-I197 WeakPolarHBondContact CG1-O 3.41Å; I70-I197 HydrophobicContact CG2-CD1 4.23Å; F73-I197 HydrophobicContact CB-CD1 4.46Å; F73-I197 HydrophobicContact CD1-CB 4.44Å; F73-I197 HydrophobicContact CD1-CD1 3.58Å; F73-I197 HydrophobicContact CD1-CG2 3.95Å; F73-I197 HydrophobicContact CD2-CG2 3.83Å; F73-I197 HydrophobicContact CE1-CD1 4.09Å; F73-I197 HydrophobicContact CE1-CG2 3.97Å; F73-I197 HydrophobicContact CE2-CG2 3.83Å; F73-I197 HydrophobicContact CG-CB 4.29Å; F73-I197 HydrophobicContact CG-CD1 4.14Å; F73-I197 HydrophobicContact CG-CG2 3.89Å; F73-I197 HydrophobicContact CZ-CG2 3.9Å; L74-I197 HydrophobicContact CD2-CD1 4.41Å; L74-I197 HydrophobicContact CG-CD1 4.44Å; H194-I197 HydrophobicContact CB-CD1 3.84Å; H194-I197 HydrophobicContact CB-CG1 4.13Å; H194-I197 HydrophobicContact CB-CG2 4.47Å; H194-I197 WeakPolarHBondContact O-CG1 3.49Å; H194-I197 PolarHBondContact O-N 3.05Å; I197-W199 HydrophobicContact CG1-CG 4.45Å
198	G	98	Very high	97.1	Very high	16 Å²	16	44 Å²	44	17%	0.165	24%	0.244	C	C	.	.	S	Bend	trans	108.8	-7.8	177.2	0	0	0	0	0	115.6	S196 Q200 T201	S196-G198 VanDerWaalsContact C-N 3.28Å; S196-G198 PolarHBondContact O-N 3.19Å; G198-Q200 VanDerWaalsContact C-N 3.26Å; G198-Q200 PolarHBondContact O-N 3.12Å; G198-Q200 VanDerWaalsContact O-N 3.15Å; G198-T201 WeakPolarHBondContact O-CB 3.27Å; G198-T201 PolarHBondContact O-N 3.28Å
199	W	98.7	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-38.8	-177	-83.4	127.7	0	0	0	114.5	L45 F67 I70 L74 I91 F92 A182 T183 L184 T185 I197 T201 F202 T203	L45-W199 HydrophobicContact CD1-CH2 3.79Å; L45-W199 HydrophobicContact CD1-CZ2 4.18Å; F67-W199 AromaticContact CE2-CZ3 3.97Å; F67-W199 HydrophobicContact CE2-CZ3 3.97Å; F67-W199 HydrophobicContact CZ-CH2 4.34Å; F67-W199 HydrophobicContact CZ-CZ3 4.15Å; I70-W199 HydrophobicContact CD1-CD2 4.02Å; I70-W199 HydrophobicContact CD1-CE3 3.8Å; I70-W199 HydrophobicContact CD1-CG 4.45Å; I70-W199 HydrophobicContact CD1-CZ3 4.2Å; I70-W199 HydrophobicContact CG2-CD2 3.97Å; I70-W199 VanDerWaalsContact CG2-CE2 3.49Å; I70-W199 HydrophobicContact CG2-CE3 4.29Å; I70-W199 HydrophobicContact CG2-CH2 3.75Å; I70-W199 HydrophobicContact CG2-CZ2 3.41Å; I70-W199 VanDerWaalsContact CG2-CZ2 3.41Å; I70-W199 HydrophobicContact CG2-CZ3 4.17Å; L74-W199 HydrophobicContact CD1-CZ2 3.83Å; I91-W199 HydrophobicContact CG2-CH2 3.81Å; I91-W199 HydrophobicContact CG2-CZ2 4.12Å; F92-W199 HydrophobicContact CE1-CH2 4.42Å; F92-W199 HydrophobicContact CE1-CZ3 4.23Å; F92-W199 HydrophobicContact CZ-CH2 4.38Å; F92-W199 HydrophobicContact CZ-CZ3 4.44Å; A182-W199 CarbonylContact O-C 3.56Å; T183-W199 HydrophobicContact CG2-CB 4.18Å; T183-W199 HydrophobicContact CG2-CG 4.24Å; L184-W199 HydrophobicContact CB-CD2 3.88Å; L184-W199 HydrophobicContact CB-CE3 3.96Å; L184-W199 HydrophobicContact CB-CG 4.46Å; L184-W199 HydrophobicContact CB-CH2 4.23Å; L184-W199 HydrophobicContact CB-CZ2 4.1Å; L184-W199 HydrophobicContact CB-CZ3 4.16Å; L184-W199 HydrophobicContact CD1-CE3 3.83Å; L184-W199 HydrophobicContact CD1-CH2 4.25Å; L184-W199 HydrophobicContact CD1-CZ3 3.67Å; L184-W199 HydrophobicContact CG-CD2 4.24Å; L184-W199 HydrophobicContact CG-CE3 3.9Å; L184-W199 HydrophobicContact CG-CZ3 4.19Å; T185-W199 HydrophobicContact CG2-CZ2 3.97Å; T185-W199 PolarHBondContact OG1-NE1 3.45Å; I197-W199 HydrophobicContact CG1-CG 4.45Å; W199-T201 PolarHBondContact O-N 3.22Å; W199-F202 HydrophobicContact CE3-CB 4.31Å; W199-F202 HydrophobicContact CE3-CD1 4.25Å; W199-F202 HydrophobicContact CZ3-CD1 4.15Å; W199-F202 WeakPolarHBondContact O-CB 3.45Å; W199-F202 PolarHBondContact O-N 3.03Å; W199-T203 PolarHBondContact O-N 3.35Å; W199-T203 PolarHBondContact O-OG1 2.8Å
200	Q	98.4	Very high	97.7	Very high	56 Å²	56	37.5 Å²	37.5	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-64	-29	-178.7	-68.8	-164.3	46.5	0	0	112.8	A182 G198 T203 D204	A182-Q200 HydrophobicContact CB-CG 4.26Å; A182-Q200 WeakPolarHBondContact O-CA 3.39Å; A182-Q200 WeakPolarHBondContact O-CG 3.46Å; A182-Q200 PolarHBondContact O-N 2.92Å; G198-Q200 VanDerWaalsContact C-N 3.26Å; G198-Q200 PolarHBondContact O-N 3.12Å; G198-Q200 VanDerWaalsContact O-N 3.15Å; Q200-T203 WeakPolarHBondContact CA-OG1 3.38Å; Q200-T203 PolarHBondContact O-OG1 3.28Å; Q200-D204 WeakPolarHBondContact O-CB 3.48Å; Q200-D204 PolarHBondContact O-N 3.07Å
201	T	98.5	Very high	97.8	Very high	76 Å²	76	33.3 Å²	33.3	47%	0.466	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-45	173	-55.6	0	0	0	0	110.5	Y66 G198 W199 R205	Y66-T201 HydrophobicContact CD1-CG2 3.78Å; Y66-T201 HydrophobicContact CD2-CG2 3.91Å; Y66-T201 HydrophobicContact CE1-CG2 3.68Å; Y66-T201 HydrophobicContact CE2-CG2 3.87Å; Y66-T201 HydrophobicContact CG-CG2 3.89Å; G198-T201 WeakPolarHBondContact O-CB 3.27Å; G198-T201 PolarHBondContact O-N 3.28Å; W199-T201 PolarHBondContact O-N 3.22Å; T201-R205 PolarHBondContact O-N 3.42Å; T201-R205 VanDerWaalsContact O-N 3.12Å
202	F	98.7	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-50.6	176	-179.2	-105.3	0	0	0	111.7	L58 E61 F62 Y66 F67 F92 L95 L184 W199 D204 R205 V206	L58-F202 HydrophobicContact CD1-CZ 4.21Å; E61-F202 HydrophobicContact CB-CD2 3.99Å; E61-F202 HydrophobicContact CB-CE2 4.05Å; E61-F202 HydrophobicContact CG-CD2 4.39Å; E61-F202 HydrophobicContact CG-CE2 4.44Å; F62-F202 HydrophobicContact CE1-CE2 4.18Å; F62-F202 HydrophobicContact CE1-CZ 4.39Å; Y66-F202 HydrophobicContact CE2-CB 3.94Å; F67-F202 HydrophobicContact CD2-CB 4.4Å; F67-F202 AromaticContact CD2-CD2 3.75Å; F67-F202 HydrophobicContact CD2-CD2 3.75Å; F67-F202 HydrophobicContact CD2-CE2 4.35Å; F67-F202 HydrophobicContact CD2-CG 4.24Å; F67-F202 HydrophobicContact CE2-CB 4.4Å; F67-F202 HydrophobicContact CE2-CD1 4.5Å; F67-F202 AromaticContact CE2-CD2 3.57Å; F67-F202 HydrophobicContact CE2-CD2 3.57Å; F67-F202 AromaticContact CE2-CE2 3.88Å; F67-F202 HydrophobicContact CE2-CE2 3.88Å; F67-F202 AromaticContact CE2-CG 3.91Å; F67-F202 HydrophobicContact CE2-CG 3.91Å; F67-F202 HydrophobicContact CE2-CZ 4.47Å; F92-F202 HydrophobicContact CD1-CE1 4.14Å; F92-F202 HydrophobicContact CD1-CZ 4.44Å; F92-F202 HydrophobicContact CE1-CD1 4.35Å; F92-F202 AromaticContact CE1-CE1 3.5Å; F92-F202 HydrophobicContact CE1-CE1 3.5Å; F92-F202 AromaticContact CE1-CZ 3.76Å; F92-F202 HydrophobicContact CE1-CZ 3.76Å; F92-F202 HydrophobicContact CZ-CE1 4.41Å; F92-F202 HydrophobicContact CZ-CZ 4.34Å; L95-F202 HydrophobicContact CD1-CE1 4.22Å; L95-F202 HydrophobicContact CD1-CZ 4.28Å; L184-F202 HydrophobicContact CD1-CD1 3.88Å; L184-F202 HydrophobicContact CD1-CE1 3.9Å; W199-F202 HydrophobicContact CE3-CB 4.31Å; W199-F202 HydrophobicContact CE3-CD1 4.25Å; W199-F202 HydrophobicContact CZ3-CD1 4.15Å; W199-F202 WeakPolarHBondContact O-CB 3.45Å; W199-F202 PolarHBondContact O-N 3.03Å; F202-D204 VanDerWaalsContact C-N 3.31Å; F202-D204 PolarHBondContact O-N 2.86Å; F202-R205 WeakPolarHBondContact O-CA 3.45Å; F202-R205 VanDerWaalsContact O-CB 3.29Å; F202-R205 WeakPolarHBondContact O-CB 3.01Å; F202-R205 PolarHBondContact O-N 3.36Å; F202-V206 HydrophobicContact CD1-CG2 4.22Å; F202-V206 HydrophobicContact CE1-CG2 3.87Å; F202-V206 HydrophobicContact CZ-CG2 4.23Å; F202-V206 PolarHBondContact O-N 3.42Å
203	T	98.7	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-29.4	-176.7	61.9	0	0	0	0	112.2	L180 N181 A182 L184 W199 Q200 R205 V206 I207	L180-T203 HydrophobicContact CD1-CG2 4.37Å; N181-T203 VanDerWaalsContact O-CG2 3.32Å; N181-T203 WeakPolarHBondContact O-CG2 3.36Å; A182-T203 WeakPolarHBondContact O-CG2 3.31Å; A182-T203 PolarHBondContact O-OG1 3.1Å; L184-T203 HydrophobicContact CD1-CG2 4.3Å; L184-T203 HydrophobicContact CD2-CG2 3.85Å; L184-T203 HydrophobicContact CG-CG2 3.86Å; W199-T203 PolarHBondContact O-N 3.35Å; W199-T203 PolarHBondContact O-OG1 2.8Å; Q200-T203 WeakPolarHBondContact CA-OG1 3.38Å; Q200-T203 PolarHBondContact O-OG1 3.28Å; T203-R205 VanDerWaalsContact C-N 3.27Å; T203-R205 PolarHBondContact O-N 3.08Å; T203-V206 WeakPolarHBondContact O-CB 3.42Å; T203-V206 PolarHBondContact O-N 3.17Å; T203-I207 WeakPolarHBondContact O-CG1 3.48Å; T203-I207 PolarHBondContact O-N 2.78Å
204	D	98.7	Very high	97.8	Very high	28 Å²	28	29.2 Å²	29.2	15%	0.15	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-32.7	170.3	-76.5	7.3	0	0	0	111	Q200 F202 K208 K229 L232	Q200-D204 WeakPolarHBondContact O-CB 3.48Å; Q200-D204 PolarHBondContact O-N 3.07Å; F202-D204 VanDerWaalsContact C-N 3.31Å; F202-D204 PolarHBondContact O-N 2.86Å; D204-K208 WeakPolarHBondContact O-CG 3.46Å; D204-K208 PolarHBondContact O-N 3.23Å; D204-K229 WeakPolarHBondContact OD1-CD 3.29Å; D204-K229 WeakPolarHBondContact OD1-CE 3.48Å; D204-K229 IonicContact OD1-NZ 2.87Å; D204-K229 PolarHBondContact OD1-NZ 3.25Å; D204-K229 IonicContact OD2-NZ 2.63Å; D204-K229 PolarHBondContact OD2-NZ 3.17Å; D204-L232 HydrophobicContact CB-CD1 3.82Å
205	R	98.6	Very high	97.6	Very high	72 Å²	72	29.7 Å²	29.7	27%	0.272	17%	0.165	S	C	.	.	H	α-helix	trans	-67	-43.3	170	-178.1	65.3	-178.6	147.9	4.7	111.4	L58 E61 T201 F202 T203 I207 K208 T209 D212	L58-R205 HydrophobicContact CD2-CG 3.87Å; E61-R205 HydrophobicContact CG-CG 3.95Å; E61-R205 WeakPolarHBondContact OE1-CG 3.44Å; E61-R205 IonicContact OE1-NE 2.73Å; T201-R205 PolarHBondContact O-N 3.42Å; T201-R205 VanDerWaalsContact O-N 3.12Å; F202-R205 WeakPolarHBondContact O-CA 3.45Å; F202-R205 VanDerWaalsContact O-CB 3.29Å; F202-R205 WeakPolarHBondContact O-CB 3.01Å; F202-R205 PolarHBondContact O-N 3.36Å; T203-R205 VanDerWaalsContact C-N 3.27Å; T203-R205 PolarHBondContact O-N 3.08Å; R205-I207 VanDerWaalsContact C-N 3.31Å; R205-I207 PolarHBondContact O-N 2.91Å; R205-K208 CarbonylContact O-C 3.58Å; R205-K208 PolarHBondContact O-N 3.06Å; R205-K208 VanDerWaalsContact O-N 3.17Å; R205-T209 WeakPolarHBondContact O-CB 3.28Å; R205-T209 PolarHBondContact O-N 3.05Å; R205-T209 PolarHBondContact O-OG1 3.21Å; R205-T209 VanDerWaalsContact O-OG1 3.06Å; R205-D212 IonicContact NH1-OD2 2.63Å
206	V	98.8	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.1	-48.7	174.2	174.9	0	0	0	0	110.8	W54 L58 L95 L178 L180 F202 T203 K208 T209 V210	W54-V206 HydrophobicContact CH2-CG1 3.9Å; W54-V206 HydrophobicContact CZ3-CG1 3.85Å; L58-V206 HydrophobicContact CD1-CG2 3.86Å; L58-V206 HydrophobicContact CD2-CG2 4.46Å; L95-V206 HydrophobicContact CD1-CG2 4.3Å; L95-V206 HydrophobicContact CD2-CG1 3.68Å; L95-V206 HydrophobicContact CD2-CG2 4.35Å; L178-V206 HydrophobicContact CD2-CG1 4.15Å; L180-V206 HydrophobicContact CD2-CB 4.2Å; L180-V206 HydrophobicContact CD2-CG1 3.84Å; F202-V206 HydrophobicContact CD1-CG2 4.22Å; F202-V206 HydrophobicContact CE1-CG2 3.87Å; F202-V206 HydrophobicContact CZ-CG2 4.23Å; F202-V206 PolarHBondContact O-N 3.42Å; T203-V206 WeakPolarHBondContact O-CB 3.42Å; T203-V206 PolarHBondContact O-N 3.17Å; V206-K208 PolarHBondContact O-N 2.98Å; V206-T209 WeakPolarHBondContact O-CB 3.48Å; V206-T209 PolarHBondContact O-N 3.49Å; V206-V210 PolarHBondContact O-N 3.08Å
207	I	98.7	Very high	97.6	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-45	178.3	-66.6	162.7	0	0	0	111	I108 L180 T203 R205 T209 V210 N211 F219 K229 L232 V233	I108-I207 HydrophobicContact CD1-CD1 3.65Å; I108-I207 HydrophobicContact CD1-CG1 4.31Å; L180-I207 HydrophobicContact CD2-CG1 4.22Å; T203-I207 WeakPolarHBondContact O-CG1 3.48Å; T203-I207 PolarHBondContact O-N 2.78Å; R205-I207 VanDerWaalsContact C-N 3.31Å; R205-I207 PolarHBondContact O-N 2.91Å; I207-T209 VanDerWaalsContact C-N 3.33Å; I207-T209 PolarHBondContact O-N 3.29Å; I207-V210 PolarHBondContact O-N 2.57Å; I207-N211 PolarHBondContact O-N 3.02Å; I207-F219 HydrophobicContact CG2-CE1 4.01Å; I207-K229 HydrophobicContact CD1-CB 4.28Å; I207-K229 HydrophobicContact CD1-CD 4.29Å; I207-K229 HydrophobicContact CD1-CG 4.3Å; I207-L232 HydrophobicContact CB-CD1 4.17Å; I207-L232 HydrophobicContact CD1-CD1 4.09Å; I207-L232 HydrophobicContact CG2-CB 3.69Å; I207-L232 HydrophobicContact CG2-CD1 3.99Å; I207-V233 HydrophobicContact CG2-CG2 4.12Å
208	K	98.3	Very high	97.7	Very high	82 Å²	82	22.1 Å²	22.1	36%	0.357	11%	0.113	S	C	.	.	H	α-helix	trans	-61.6	-39.9	174.8	-74.1	-172.1	-175.6	91.4	0	112	D204 R205 V206 V210 N211 D212 L232	D204-K208 WeakPolarHBondContact O-CG 3.46Å; D204-K208 PolarHBondContact O-N 3.23Å; R205-K208 CarbonylContact O-C 3.58Å; R205-K208 PolarHBondContact O-N 3.06Å; R205-K208 VanDerWaalsContact O-N 3.17Å; V206-K208 PolarHBondContact O-N 2.98Å; K208-V210 VanDerWaalsContact C-N 3.33Å; K208-V210 PolarHBondContact O-N 3.12Å; K208-N211 CarbonylContact O-C 3.41Å; K208-N211 WeakPolarHBondContact O-CA 3.39Å; K208-N211 WeakPolarHBondContact O-CB 3.27Å; K208-N211 PolarHBondContact O-N 3.49Å; K208-D212 WeakPolarHBondContact O-CB 3.43Å; K208-D212 PolarHBondContact O-N 2.94Å; K208-L232 HydrophobicContact CG-CB 4.49Å; K208-L232 HydrophobicContact CG-CD2 4.34Å
209	T	97.8	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-41.1	176.5	-65.6	0	0	0	0	111.7	W54 R57 L100 R205 V206 I207 D212 H213	W54-T209 HydrophobicContact CE3-CG2 4.29Å; W54-T209 HydrophobicContact CZ3-CG2 3.94Å; R57-T209 HydrophobicContact CB-CG2 3.61Å; R57-T209 HydrophobicContact CG-CG2 3.99Å; L100-T209 HydrophobicContact CD1-CG2 4.1Å; L100-T209 HydrophobicContact CD2-CG2 3.78Å; R205-T209 WeakPolarHBondContact O-CB 3.28Å; R205-T209 PolarHBondContact O-N 3.05Å; R205-T209 PolarHBondContact O-OG1 3.21Å; R205-T209 VanDerWaalsContact O-OG1 3.06Å; V206-T209 WeakPolarHBondContact O-CB 3.48Å; V206-T209 PolarHBondContact O-N 3.49Å; I207-T209 VanDerWaalsContact C-N 3.33Å; I207-T209 PolarHBondContact O-N 3.29Å; T209-D212 PolarHBondContact O-N 3.49Å; T209-H213 PolarHBondContact O-CD2 3.23Å; T209-H213 PolarHBondContact O-N 2.81Å
210	V	98.3	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.7	-44.4	171	179.1	0	0	0	0	110.7	W54 L100 V103 V106 L178 V206 I207 K208 D212 C214 V217 F219	W54-V210 HydrophobicContact CH2-CG2 3.59Å; W54-V210 HydrophobicContact CZ3-CG2 4.3Å; L100-V210 HydrophobicContact CD1-CG2 4.11Å; V103-V210 HydrophobicContact CG1-CG1 4.02Å; V103-V210 HydrophobicContact CG1-CG2 4.46Å; V106-V210 HydrophobicContact CG2-CG1 4.13Å; L178-V210 HydrophobicContact CD2-CG2 4.17Å; V206-V210 PolarHBondContact O-N 3.08Å; I207-V210 PolarHBondContact O-N 2.57Å; K208-V210 VanDerWaalsContact C-N 3.33Å; K208-V210 PolarHBondContact O-N 3.12Å; V210-D212 VanDerWaalsContact C-N 3.26Å; V210-D212 PolarHBondContact O-N 2.65Å; V210-C214 HydrophobicContact CG1-CB 4.08Å; V210-C214 WeakPolarHBondContact O-CA 3.39Å; V210-C214 WeakPolarHBondContact O-CB 3.46Å; V210-C214 PolarHBondContact O-N 3.47Å; V210-V217 HydrophobicContact CG1-CB 4.32Å; V210-V217 HydrophobicContact CG1-CG1 3.98Å; V210-V217 HydrophobicContact CG1-CG2 4Å; V210-F219 HydrophobicContact CB-CZ 4.21Å; V210-F219 HydrophobicContact CG1-CE2 4.4Å; V210-F219 HydrophobicContact CG1-CZ 3.72Å
211	N	97.5	Very high	97.7	Very high	20 Å²	20	18.8 Å²	18.8	11%	0.107	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-35.6	178.4	173.3	84.4	0	0	0	113.6	I207 K208 S234 K237 H238	I207-N211 PolarHBondContact O-N 3.02Å; K208-N211 CarbonylContact O-C 3.41Å; K208-N211 WeakPolarHBondContact O-CA 3.39Å; K208-N211 WeakPolarHBondContact O-CB 3.27Å; K208-N211 PolarHBondContact O-N 3.49Å; N211-S234 WeakPolarHBondContact OD1-CB 3.35Å; N211-S234 PolarHBondContact OD1-N 3.39Å; N211-K237 WeakPolarHBondContact O-CD 3.42Å; N211-K237 PolarHBondContact O-NZ 3.24Å; N211-H238 WeakPolarHBondContact CA-NE2 3.34Å; N211-H238 PolarHBondContact O-NE2 3.07Å
212	D	95.3	Very high	97.7	Very high	62 Å²	62	15.3 Å²	15.3	33%	0.332	7%	0.071	S	C	.	.	H	α-helix	trans	-82.7	-42.6	-173.8	-62.6	-15.6	0	0	0	110.6	R205 K208 T209 V210	R205-D212 IonicContact NH1-OD2 2.63Å; K208-D212 WeakPolarHBondContact O-CB 3.43Å; K208-D212 PolarHBondContact O-N 2.94Å; T209-D212 PolarHBondContact O-N 3.49Å; V210-D212 VanDerWaalsContact C-N 3.26Å; V210-D212 PolarHBondContact O-N 2.65Å
213	H	95	Very high	97.6	Very high	30 Å²	30	15.8 Å²	15.8	14%	0.139	8%	0.076	C	C	.	.	H	α-helix	trans	-116	16.1	-170.5	-55.1	-74.1	0	0	0	114.7	V28 E31 L100 T209	V28-H213 VanDerWaalsContact CG1-C 3.46Å; V28-H213 WeakPolarHBondContact CG1-O 3.41Å; E31-H213 IonicContact OE2-CE1 2.88Å; E31-H213 IonicContact OE2-ND1 3.77Å; E31-H213 PolarHBondContact OE2-ND1 3.34Å; L100-H213 HydrophobicContact CD2-CB 4.25Å; T209-H213 PolarHBondContact O-CD2 3.23Å; T209-H213 PolarHBondContact O-N 2.81Å
214	C	95.3	Very high	97.6	Very high	8 Å²	8	19.2 Å²	19.2	5%	0.054	10%	0.104	C	C	.	.			trans	-128.2	164.1	168.5	-54.9	0	0	0	0	109.9	L100 V210 V217 H238	L100-C214 VanDerWaalsContact CD1-SG 3.57Å; L100-C214 PolarHBondContact O-SG 3.33Å; L100-C214 VanDerWaalsContact O-SG 3.35Å; V210-C214 HydrophobicContact CG1-CB 4.08Å; V210-C214 WeakPolarHBondContact O-CA 3.39Å; V210-C214 WeakPolarHBondContact O-CB 3.46Å; V210-C214 PolarHBondContact O-N 3.47Å; C214-V217 HydrophobicContact CB-CG2 3.51Å; C214-H238 PolarHBondContact O-CE1 2.86Å; C214-H238 VanDerWaalsContact O-CE1 3.28Å
215	Y	94.5	Very high	97.5	Very high	12 Å²	12	20.7 Å²	20.7	5%	0.047	11%	0.109	C	C	.	.	S	Bend	trans	-138	143.8	174.3	-176.8	-100.4	0	0	0	109.8	R21 M24 F25 K237 Y270 K272	R21-Y215 WeakPolarHBondContact CA-OH 3.34Å; R21-Y215 HydrophobicContact CB-CE1 3.8Å; R21-Y215 WeakPolarHBondContact CB-OH 3.24Å; R21-Y215 HydrophobicContact CG-CE1 4.38Å; R21-Y215 WeakPolarHBondContact CG-OH 3.28Å; M24-Y215 HydrophobicContact CB-CD2 3.75Å; M24-Y215 HydrophobicContact CB-CE2 3.72Å; M24-Y215 HydrophobicContact CB-CG 4.3Å; M24-Y215 HydrophobicContact CE-CD2 3.92Å; M24-Y215 HydrophobicContact CE-CE2 3.59Å; M24-Y215 HydrophobicContact CG-CE2 4.31Å; M24-Y215 HydrophobicContact SD-CD2 4.38Å; M24-Y215 HydrophobicContact SD-CE2 3.64Å; F25-Y215 HydrophobicContact CB-CD1 4.25Å; Y215-K237 HydrophobicContact CD2-CB 4.33Å; Y215-Y270 HydrophobicContact CD1-CD1 4.32Å; Y215-Y270 AromaticContact CE1-CD1 3.63Å; Y215-Y270 HydrophobicContact CE1-CD1 3.63Å; Y215-Y270 AromaticContact CE1-CE1 3.71Å; Y215-Y270 HydrophobicContact CE1-CE1 3.71Å; Y215-Y270 AromaticContact CZ-CE1 3.75Å; Y215-K272 VanDerWaalsContact O-CE 3.3Å; Y215-K272 WeakPolarHBondContact O-CE 3.21Å; Y215-K272 PolarHBondContact O-NZ 3.11Å
216	G	96.2	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	61.7	46.3	179.2	0	0	0	0	0	113.5	K237 Y270 K272	G216-K237 PolarHBondContact N-O 3.47Å; G216-Y270 VanDerWaalsContact CA-CD2 3.44Å; G216-Y270 VanDerWaalsContact CA-CG 3.47Å; G216-K272 WeakPolarHBondContact O-CE 3.43Å; G216-K272 PolarHBondContact O-NZ 2.98Å
217	V	98.3	Very high	97.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.			trans	-97.4	142.3	175.2	177.3	0	0	0	0	108.4	V103 K104 V106 V210 C214 F219 H238 I239	V103-V217 HydrophobicContact CG1-CG1 3.98Å; V103-V217 HydrophobicContact CG1-CG2 4.42Å; K104-V217 WeakPolarHBondContact O-CA 3.44Å; V106-V217 HydrophobicContact CG2-CG1 3.83Å; V210-V217 HydrophobicContact CG1-CB 4.32Å; V210-V217 HydrophobicContact CG1-CG1 3.98Å; V210-V217 HydrophobicContact CG1-CG2 4Å; C214-V217 HydrophobicContact CB-CG2 3.51Å; V217-F219 HydrophobicContact CB-CE2 4Å; V217-F219 HydrophobicContact CG1-CD2 4.13Å; V217-F219 HydrophobicContact CG1-CE2 3.76Å; V217-F219 HydrophobicContact CG1-CZ 4.21Å; V217-H238 PolarHBondContact N-ND1 3.43Å; V217-H238 WeakPolarHBondContact O-CA 3.4Å; V217-H238 VanDerWaalsContact O-CB 3.32Å; V217-H238 WeakPolarHBondContact O-CB 3.41Å; V217-I239 PolarHBondContact O-N 2.9Å
218	V	98.7	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.2	175	-177.7	0	0	0	0	109.7	K104 V105 V106 M220 I239 I241 A263 A266 L267	K104-V218 PolarHBondContact O-N 3.42Å; V105-V218 CarbonylContact C-O 3.58Å; V105-V218 WeakPolarHBondContact CA-O 3.36Å; V105-V218 WeakPolarHBondContact CG1-O 3.35Å; V105-V218 HydrophobicContact CG2-CB 4.29Å; V106-V218 PolarHBondContact N-O 3.03Å; V218-M220 HydrophobicContact CG1-CG 4.34Å; V218-I239 CarbonylContact C-O 3.59Å; V218-I239 WeakPolarHBondContact CA-O 3.19Å; V218-I241 HydrophobicContact CG1-CD1 3.53Å; V218-I241 HydrophobicContact CG1-CG1 3.98Å; V218-A263 HydrophobicContact CG1-CB 3.99Å; V218-A266 HydrophobicContact CG2-CB 3.67Å; V218-L267 HydrophobicContact CG2-CD2 4.05Å; V218-L267 HydrophobicContact CG2-CG 4.06Å
219	F	98.7	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.5	174.3	-71.9	-97.7	0	0	0	109.9	V106 I207 V210 V217 L221 V233 H238 I239 V240 I241	V106-F219 HydrophobicContact CB-CD1 3.65Å; V106-F219 HydrophobicContact CB-CE1 3.8Å; V106-F219 HydrophobicContact CB-CG 4.32Å; V106-F219 HydrophobicContact CG1-CD1 3.95Å; V106-F219 HydrophobicContact CG1-CE1 4Å; V106-F219 HydrophobicContact CG2-CD1 4.05Å; V106-F219 HydrophobicContact CG2-CE1 3.7Å; V106-F219 HydrophobicContact CG2-CZ 4.09Å; I207-F219 HydrophobicContact CG2-CE1 4.01Å; V210-F219 HydrophobicContact CB-CZ 4.21Å; V210-F219 HydrophobicContact CG1-CE2 4.4Å; V210-F219 HydrophobicContact CG1-CZ 3.72Å; V217-F219 HydrophobicContact CB-CE2 4Å; V217-F219 HydrophobicContact CG1-CD2 4.13Å; V217-F219 HydrophobicContact CG1-CE2 3.76Å; V217-F219 HydrophobicContact CG1-CZ 4.21Å; F219-L221 HydrophobicContact CB-CD2 4.39Å; F219-V233 HydrophobicContact CD1-CG2 3.75Å; F219-V233 HydrophobicContact CD2-CG1 3.55Å; F219-V233 HydrophobicContact CD2-CG2 4.1Å; F219-V233 HydrophobicContact CE1-CG2 3.75Å; F219-V233 HydrophobicContact CE2-CG1 3.61Å; F219-V233 HydrophobicContact CE2-CG2 4.09Å; F219-V233 HydrophobicContact CG-CG1 4.12Å; F219-V233 HydrophobicContact CG-CG2 3.93Å; F219-V233 HydrophobicContact CZ-CG1 4.23Å; F219-V233 HydrophobicContact CZ-CG2 3.91Å; F219-H238 HydrophobicContact CD2-CB 3.99Å; F219-H238 HydrophobicContact CE2-CB 3.94Å; F219-H238 AromaticContact CE2-CD2 3.91Å; F219-H238 AromaticContact CE2-CG 3.74Å; F219-I239 PolarHBondContact N-O 3.12Å; F219-V240 HydrophobicContact CB-CG2 4.35Å; F219-V240 WeakPolarHBondContact O-CA 3.29Å; F219-I241 PolarHBondContact O-N 2.84Å
220	M	98.4	Very high	97.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.9	175.7	-66.1	-163.7	-58.8	0	0	110.1	V105 V106 L107 V218 W222 I241 C259 A263 W277	V105-M220 HydrophobicContact CG1-CE 3.61Å; V105-M220 HydrophobicContact CG1-CG 4Å; V105-M220 HydrophobicContact CG1-SD 4.21Å; V106-M220 PolarHBondContact O-N 2.85Å; L107-M220 HydrophobicContact CB-CE 4.36Å; L107-M220 HydrophobicContact CD1-CB 3.78Å; L107-M220 HydrophobicContact CD1-CE 4.08Å; V218-M220 HydrophobicContact CG1-CG 4.34Å; M220-W222 HydrophobicContact CE-CH2 4.39Å; M220-W222 HydrophobicContact CE-CZ2 3.89Å; M220-W222 HydrophobicContact SD-CZ2 4.04Å; M220-I241 WeakPolarHBondContact CA-O 3.42Å; M220-C259 HydrophobicContact SD-CB 4.44Å; M220-A263 HydrophobicContact SD-CB 4.22Å; M220-W277 HydrophobicContact CE-CH2 4.13Å
221	L	98.5	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	92.6	-174.1	-54.6	-174.5	0	0	0	110.6	I108 F219 A226 Q227 E230 V240 I241 K242 A243	I108-L221 HydrophobicContact CD1-CD2 3.73Å; I108-L221 HydrophobicContact CG1-CD2 4.38Å; F219-L221 HydrophobicContact CB-CD2 4.39Å; L221-A226 HydrophobicContact CB-CB 4.18Å; L221-A226 HydrophobicContact CD2-CB 4.4Å; L221-Q227 HydrophobicContact CB-CG 4.01Å; L221-E230 HydrophobicContact CD1-CB 3.85Å; L221-V240 HydrophobicContact CD1-CG1 3.63Å; L221-V240 HydrophobicContact CG-CG1 4.07Å; L221-I241 PolarHBondContact N-O 2.65Å; L221-K242 WeakPolarHBondContact O-CA 3.39Å; L221-A243 PolarHBondContact O-N 2.94Å
222	W	98.5	Very high	97.4	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.1	-176.8	-59.3	-17.4	0	0	0	112	L107 F135 I150 M220 P246 F254 F260	L107-W222 HydrophobicContact CD1-CD2 3.62Å; L107-W222 HydrophobicContact CD1-CE3 3.56Å; L107-W222 HydrophobicContact CD1-CG 4.36Å; L107-W222 HydrophobicContact CD1-CH2 3.63Å; L107-W222 HydrophobicContact CD1-CZ2 3.7Å; L107-W222 HydrophobicContact CD1-CZ3 3.56Å; L107-W222 HydrophobicContact CD2-CE3 4.34Å; L107-W222 HydrophobicContact CD2-CH2 3.69Å; L107-W222 HydrophobicContact CD2-CZ2 4.5Å; L107-W222 HydrophobicContact CD2-CZ3 3.59Å; L107-W222 HydrophobicContact CG-CE3 4.47Å; L107-W222 HydrophobicContact CG-CH2 4.33Å; L107-W222 HydrophobicContact CG-CZ3 4.17Å; F135-W222 HydrophobicContact CD2-CZ3 4.26Å; F135-W222 AromaticContact CE2-CE3 3.99Å; F135-W222 HydrophobicContact CE2-CE3 3.99Å; F135-W222 HydrophobicContact CE2-CZ3 4.13Å; F135-W222 HydrophobicContact CZ-CE3 4.16Å; I150-W222 HydrophobicContact CD1-CE3 4.44Å; I150-W222 HydrophobicContact CD1-CH2 4.4Å; I150-W222 HydrophobicContact CD1-CZ3 3.62Å; I150-W222 HydrophobicContact CG1-CH2 4.27Å; I150-W222 HydrophobicContact CG1-CZ3 3.77Å; M220-W222 HydrophobicContact CE-CH2 4.39Å; M220-W222 HydrophobicContact CE-CZ2 3.89Å; M220-W222 HydrophobicContact SD-CZ2 4.04Å; W222-P246 HydrophobicContact CE3-CG 4.02Å; W222-F254 AromaticContact CD2-CE2 3.83Å; W222-F254 HydrophobicContact CD2-CE2 3.83Å; W222-F254 HydrophobicContact CD2-CZ 4.4Å; W222-F254 AromaticContact CE2-CE2 3.96Å; W222-F254 HydrophobicContact CE3-CE2 4.19Å; W222-F254 HydrophobicContact CE3-CZ 4.43Å; W222-F254 HydrophobicContact CG-CE2 4.09Å; W222-F254 HydrophobicContact CZ2-CE2 4.46Å; W222-F254 HydrophobicContact CZ2-CZ 4.44Å; W222-F254 HydrophobicContact CZ3-CZ 4.49Å; W222-F260 HydrophobicContact CH2-CE1 4.16Å; W222-F260 AromaticContact CH2-CZ 3.77Å; W222-F260 HydrophobicContact CH2-CZ 3.77Å; W222-F260 HydrophobicContact CZ2-CE1 4.28Å; W222-F260 AromaticContact CZ2-CZ 3.93Å; W222-F260 HydrophobicContact CZ2-CZ 3.93Å
223	G	98	Very high	97.5	Very high	10 Å²	10	33.8 Å²	33.8	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	83.7	167.1	-178.8	0	0	0	0	0	114.8	F225 A226 Q227 A243	G223-F225 VanDerWaalsContact C-N 3.27Å; G223-F225 PolarHBondContact O-N 3.47Å; G223-A226 PolarHBondContact O-N 3.15Å; G223-Q227 WeakPolarHBondContact O-CB 3.13Å; G223-Q227 WeakPolarHBondContact O-CG 3.49Å; G223-Q227 PolarHBondContact O-N 3.05Å; G223-A243 PolarHBondContact N-O 3.02Å
224	A	97.5	Very high	97.5	Very high	72 Å²	72	34.2 Å²	34.2	60%	0.595	18%	0.175	S	C	*	.	H	α-helix	trans	-60.5	-34.4	-171.8	0	0	0	0	0	113.4	K228	A224-K228 WeakPolarHBondContact O-CG 3.39Å; A224-K228 PolarHBondContact O-N 3.26Å
225	F	96.5	Very high	97.4	Very high	59 Å²	59	36.4 Å²	36.4	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-63.1	-53.5	178.2	179.7	-91.1	0	0	0	111.7	Q110 A182 G223 Q227 K228	Q110-F225 HydrophobicContact CB-CD1 4.32Å; Q110-F225 HydrophobicContact CB-CE1 4.25Å; Q110-F225 HydrophobicContact CG-CE1 4.27Å; Q110-F225 HydrophobicContact CG-CE2 4.45Å; Q110-F225 HydrophobicContact CG-CZ 4.24Å; A182-F225 HydrophobicContact CB-CE1 3.49Å; A182-F225 VanDerWaalsContact CB-CE1 3.49Å; A182-F225 HydrophobicContact CB-CZ 3.6Å; G223-F225 VanDerWaalsContact C-N 3.27Å; G223-F225 PolarHBondContact O-N 3.47Å; F225-Q227 VanDerWaalsContact C-N 3.33Å; F225-Q227 PolarHBondContact O-N 3.49Å; F225-K228 WeakPolarHBondContact O-CB 3.47Å; F225-K228 PolarHBondContact O-N 2.93Å
226	A	97.8	Very high	97.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-38.4	178.1	0	0	0	0	0	111.6	I108 L221 G223 K228 K229	I108-A226 HydrophobicContact CB-CB 4.26Å; L221-A226 HydrophobicContact CB-CB 4.18Å; L221-A226 HydrophobicContact CD2-CB 4.4Å; G223-A226 PolarHBondContact O-N 3.15Å; A226-K228 PolarHBondContact O-N 3Å; A226-K229 VanDerWaalsContact O-CB 3.27Å; A226-K229 WeakPolarHBondContact O-CB 3.3Å; A226-K229 PolarHBondContact O-N 3.02Å
227	Q	98.4	Very high	97.2	Very high	62 Å²	62	43.6 Å²	43.6	29%	0.29	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-29.5	178.7	-71.6	171.3	18.4	0	0	113.2	L221 G223 F225 K229 E230 K242 A243	L221-Q227 HydrophobicContact CB-CG 4.01Å; G223-Q227 WeakPolarHBondContact O-CB 3.13Å; G223-Q227 WeakPolarHBondContact O-CG 3.49Å; G223-Q227 PolarHBondContact O-N 3.05Å; F225-Q227 VanDerWaalsContact C-N 3.33Å; F225-Q227 PolarHBondContact O-N 3.49Å; Q227-K229 PolarHBondContact O-N 3.39Å; Q227-K229 VanDerWaalsContact O-N 3.15Å; Q227-E230 WeakPolarHBondContact O-CB 3.35Å; Q227-E230 PolarHBondContact O-N 3.12Å; Q227-E230 VanDerWaalsContact O-N 3.08Å; Q227-K242 HydrophobicContact CG-CB 4.37Å; Q227-K242 HydrophobicContact CG-CD 4.09Å; Q227-K242 HydrophobicContact CG-CG 4.12Å; Q227-A243 PolarHBondContact NE2-O 3.16Å; Q227-A243 VanDerWaalsContact NE2-O 3.08Å
228	K	97.9	Very high	97.2	Very high	152 Å²	152	43.8 Å²	43.8	66%	0.661	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-61.7	-19.6	172.8	-72.6	171.4	-177.5	-178	0	113.5	A224 F225 A226 E230 K231	A224-K228 WeakPolarHBondContact O-CG 3.39Å; A224-K228 PolarHBondContact O-N 3.26Å; F225-K228 WeakPolarHBondContact O-CB 3.47Å; F225-K228 PolarHBondContact O-N 2.93Å; A226-K228 PolarHBondContact O-N 3Å; K228-E230 VanDerWaalsContact C-N 3.29Å; K228-K231 WeakPolarHBondContact O-CG 3.41Å
229	K	97.6	Very high	97.1	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-79.9	-9.6	177.5	-55.3	-64.4	179.7	177.7	0	112.9	I108 D204 I207 A226 Q227 K231 L232	I108-K229 HydrophobicContact CD1-CB 3.95Å; I108-K229 HydrophobicContact CD1-CG 4.11Å; D204-K229 WeakPolarHBondContact OD1-CD 3.29Å; D204-K229 WeakPolarHBondContact OD1-CE 3.48Å; D204-K229 IonicContact OD1-NZ 2.87Å; D204-K229 PolarHBondContact OD1-NZ 3.25Å; D204-K229 IonicContact OD2-NZ 2.63Å; D204-K229 PolarHBondContact OD2-NZ 3.17Å; I207-K229 HydrophobicContact CD1-CB 4.28Å; I207-K229 HydrophobicContact CD1-CD 4.29Å; I207-K229 HydrophobicContact CD1-CG 4.3Å; A226-K229 VanDerWaalsContact O-CB 3.27Å; A226-K229 WeakPolarHBondContact O-CB 3.3Å; A226-K229 PolarHBondContact O-N 3.02Å; Q227-K229 PolarHBondContact O-N 3.39Å; Q227-K229 VanDerWaalsContact O-N 3.15Å; K229-K231 PolarHBondContact O-N 2.83Å; K229-K231 VanDerWaalsContact O-N 3.15Å; K229-L232 HydrophobicContact CB-CD1 4.41Å; K229-L232 HydrophobicContact CD-CD1 4.08Å; K229-L232 VanDerWaalsContact O-CB 3.31Å; K229-L232 WeakPolarHBondContact O-CB 3.4Å; K229-L232 PolarHBondContact O-N 2.98Å
230	E	98	Very high	97.1	Very high	76 Å²	76	47.5 Å²	47.5	36%	0.355	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-53.2	-35.2	175.3	179.3	179.1	-147.5	0	0	112.8	L221 Q227 K228 L232 V233 K242	L221-E230 HydrophobicContact CD1-CB 3.85Å; Q227-E230 WeakPolarHBondContact O-CB 3.35Å; Q227-E230 PolarHBondContact O-N 3.12Å; Q227-E230 VanDerWaalsContact O-N 3.08Å; K228-E230 VanDerWaalsContact C-N 3.29Å; E230-L232 PolarHBondContact O-N 3.47Å; E230-V233 PolarHBondContact O-N 2.85Å; E230-K242 WeakPolarHBondContact OE1-CE 3.25Å; E230-K242 IonicContact OE1-NZ 2.7Å; E230-K242 PolarHBondContact OE1-NZ 3.23Å; E230-K242 WeakPolarHBondContact OE2-CE 3.39Å; E230-K242 IonicContact OE2-NZ 2.6Å; E230-K242 PolarHBondContact OE2-NZ 3.16Å
231	K	97.5	Very high	97.1	Very high	174 Å²	174	48.3 Å²	48.3	76%	0.757	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.6	-13.3	177.3	71.9	-178.1	179.5	172.1	0	114.7	K228 K229	K228-K231 WeakPolarHBondContact O-CG 3.41Å; K229-K231 PolarHBondContact O-N 2.83Å; K229-K231 VanDerWaalsContact O-N 3.15Å
232	L	98.1	Very high	97.1	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.089	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-93.2	-3.8	178.8	-54.6	176.1	0	0	0	112.5	D204 I207 K208 K229 E230	D204-L232 HydrophobicContact CB-CD1 3.82Å; I207-L232 HydrophobicContact CB-CD1 4.17Å; I207-L232 HydrophobicContact CD1-CD1 4.09Å; I207-L232 HydrophobicContact CG2-CB 3.69Å; I207-L232 HydrophobicContact CG2-CD1 3.99Å; K208-L232 HydrophobicContact CG-CB 4.49Å; K208-L232 HydrophobicContact CG-CD2 4.34Å; K229-L232 HydrophobicContact CB-CD1 4.41Å; K229-L232 HydrophobicContact CD-CD1 4.08Å; K229-L232 VanDerWaalsContact O-CB 3.31Å; K229-L232 WeakPolarHBondContact O-CB 3.4Å; K229-L232 PolarHBondContact O-N 2.98Å; E230-L232 PolarHBondContact O-N 3.47Å
233	V	97.3	Very high	97.1	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	28%	0.276	C	S	.	.	S	Bend	trans	-120.7	128.4	-169.4	-177	0	0	0	0	109.8	I207 F219 E230 A235 H238 V240	I207-V233 HydrophobicContact CG2-CG2 4.12Å; F219-V233 HydrophobicContact CD1-CG2 3.75Å; F219-V233 HydrophobicContact CD2-CG1 3.55Å; F219-V233 HydrophobicContact CD2-CG2 4.1Å; F219-V233 HydrophobicContact CE1-CG2 3.75Å; F219-V233 HydrophobicContact CE2-CG1 3.61Å; F219-V233 HydrophobicContact CE2-CG2 4.09Å; F219-V233 HydrophobicContact CG-CG1 4.12Å; F219-V233 HydrophobicContact CG-CG2 3.93Å; F219-V233 HydrophobicContact CZ-CG1 4.23Å; F219-V233 HydrophobicContact CZ-CG2 3.91Å; E230-V233 PolarHBondContact O-N 2.85Å; V233-A235 PolarHBondContact O-N 2.78Å; V233-H238 HydrophobicContact CG1-CB 3.74Å; V233-V240 HydrophobicContact CG1-CG2 4.13Å
234	S	96	Very high	97.1	Very high	40 Å²	40	53.7 Å²	53.7	28%	0.28	28%	0.279	S	S	.	.			trans	-78.3	117.1	172.9	176.2	0	0	0	0	110.9	N211 E236 K237 H238	N211-S234 WeakPolarHBondContact OD1-CB 3.35Å; N211-S234 PolarHBondContact OD1-N 3.39Å; S234-E236 PolarHBondContact O-N 2.96Å; S234-E236 PolarHBondContact OG-N 2.8Å; S234-K237 PolarHBondContact O-N 3.03Å; S234-K237 VanDerWaalsContact O-N 3.1Å; S234-H238 PolarHBondContact O-N 3.06Å; S234-H238 VanDerWaalsContact O-N 3.09Å
235	A	92.8	Very high	97.1	Very high	54 Å²	54	52.9 Å²	52.9	45%	0.446	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.8	174.2	0	0	0	0	0	113.4	T13 V233	T13-A235 HydrophobicContact CG2-CB 4.35Å; V233-A235 PolarHBondContact O-N 2.78Å
236	E	93.1	Very high	97.2	Very high	111 Å²	111	50.1 Å²	50.1	52%	0.519	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-28.8	172.7	-63.8	-171.2	-162.7	0	0	112.4	P16 K20 S234	P16-E236 WeakPolarHBondContact CG-O 3.31Å; K20-E236 IonicContact NZ-OE2 3.5Å; S234-E236 PolarHBondContact O-N 2.96Å; S234-E236 PolarHBondContact OG-N 2.8Å
237	K	93.8	Very high	97.1	Very high	52 Å²	52	51.2 Å²	51.2	23%	0.226	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-29.1	-176.1	-65.9	-168.7	178.6	-174.1	0	113.4	M24 N211 Y215 G216 S234 Y270	M24-K237 HydrophobicContact CE-CB 4.47Å; M24-K237 HydrophobicContact CE-CD 4.33Å; M24-K237 HydrophobicContact CE-CG 3.55Å; N211-K237 WeakPolarHBondContact O-CD 3.42Å; N211-K237 PolarHBondContact O-NZ 3.24Å; Y215-K237 HydrophobicContact CD2-CB 4.33Å; G216-K237 PolarHBondContact N-O 3.47Å; S234-K237 PolarHBondContact O-N 3.03Å; S234-K237 VanDerWaalsContact O-N 3.1Å; K237-Y270 PolarHBondContact O-OH 3.17Å
238	H	97.4	Very high	97	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.014	27%	0.266	C	S	.	.			trans	-139.5	161.6	-162	-55.3	-51.2	0	0	0	111.5	N211 C214 V217 F219 V233 S234	N211-H238 WeakPolarHBondContact CA-NE2 3.34Å; N211-H238 PolarHBondContact O-NE2 3.07Å; C214-H238 PolarHBondContact O-CE1 2.86Å; C214-H238 VanDerWaalsContact O-CE1 3.28Å; V217-H238 PolarHBondContact N-ND1 3.43Å; V217-H238 WeakPolarHBondContact O-CA 3.4Å; V217-H238 VanDerWaalsContact O-CB 3.32Å; V217-H238 WeakPolarHBondContact O-CB 3.41Å; F219-H238 HydrophobicContact CD2-CB 3.99Å; F219-H238 HydrophobicContact CE2-CB 3.94Å; F219-H238 AromaticContact CE2-CD2 3.91Å; F219-H238 AromaticContact CE2-CG 3.74Å; V233-H238 HydrophobicContact CG1-CB 3.74Å; S234-H238 PolarHBondContact O-N 3.06Å; S234-H238 VanDerWaalsContact O-N 3.09Å
239	I	97.9	Very high	96.9	Very high	40 Å²	40	52.2 Å²	52.2	21%	0.205	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.4	174.4	-71.4	172.1	0	0	0	109	V217 V218 F219 I241 A266 Y270	V217-I239 PolarHBondContact O-N 2.9Å; V218-I239 CarbonylContact C-O 3.59Å; V218-I239 WeakPolarHBondContact CA-O 3.19Å; F219-I239 PolarHBondContact N-O 3.12Å; I239-I241 HydrophobicContact CG2-CG1 4.15Å; I239-A266 HydrophobicContact CB-CB 4.31Å; I239-A266 HydrophobicContact CD1-CB 3.5Å; I239-A266 HydrophobicContact CG1-CB 4.48Å; I239-A266 HydrophobicContact CG2-CB 4.06Å; I239-Y270 HydrophobicContact CD1-CD2 4.29Å; I239-Y270 HydrophobicContact CD1-CE2 3.5Å; I239-Y270 HydrophobicContact CG1-CE2 3.78Å
240	V	98.3	Very high	96.9	Very high	39 Å²	39	52.1 Å²	52.1	24%	0.236	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.5	175.7	178.3	0	0	0	0	109.3	F219 L221 V233 K242	F219-V240 HydrophobicContact CB-CG2 4.35Å; F219-V240 WeakPolarHBondContact O-CA 3.29Å; L221-V240 HydrophobicContact CD1-CG1 3.63Å; L221-V240 HydrophobicContact CG-CG1 4.07Å; V233-V240 HydrophobicContact CG1-CG2 4.13Å; V240-K242 HydrophobicContact CG1-CG 4Å
241	I	98.4	Very high	96.8	Very high	17 Å²	17	51.7 Å²	51.7	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.1	174.8	-60.2	175.4	0	0	0	108.2	V218 F219 M220 L221 I239 C259 K262 A263	V218-I241 HydrophobicContact CG1-CD1 3.53Å; V218-I241 HydrophobicContact CG1-CG1 3.98Å; F219-I241 PolarHBondContact O-N 2.84Å; M220-I241 WeakPolarHBondContact CA-O 3.42Å; L221-I241 PolarHBondContact N-O 2.65Å; I239-I241 HydrophobicContact CG2-CG1 4.15Å; I241-C259 HydrophobicContact CG2-CB 3.97Å; I241-K262 HydrophobicContact CD1-CB 3.74Å; I241-A263 HydrophobicContact CD1-CB 4.01Å
242	K	98.3	Very high	96.8	Very high	97 Å²	97	48.1 Å²	48.1	42%	0.422	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138	178.6	-58.3	-178.7	-168.4	171	0	110.5	L221 Q227 E230 V240	L221-K242 WeakPolarHBondContact O-CA 3.39Å; Q227-K242 HydrophobicContact CG-CB 4.37Å; Q227-K242 HydrophobicContact CG-CD 4.09Å; Q227-K242 HydrophobicContact CG-CG 4.12Å; E230-K242 WeakPolarHBondContact OE1-CE 3.25Å; E230-K242 IonicContact OE1-NZ 2.7Å; E230-K242 PolarHBondContact OE1-NZ 3.23Å; E230-K242 WeakPolarHBondContact OE2-CE 3.39Å; E230-K242 IonicContact OE2-NZ 2.6Å; E230-K242 PolarHBondContact OE2-NZ 3.16Å; V240-K242 HydrophobicContact CG1-CG 4Å
243	A	98.3	Very high	96.8	Very high	10 Å²	10	56 Å²	56	8%	0.083	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	171.8	169.2	0	0	0	0	0	110	L221 G223 Q227 F254 C257	L221-A243 PolarHBondContact O-N 2.94Å; G223-A243 PolarHBondContact N-O 3.02Å; Q227-A243 PolarHBondContact NE2-O 3.16Å; Q227-A243 VanDerWaalsContact NE2-O 3.08Å; A243-F254 HydrophobicContact CB-CD2 4.18Å; A243-F254 HydrophobicContact CB-CE2 4.39Å; A243-C257 HydrophobicContact CB-CB 3.88Å
244	A	98.3	Very high	96.9	Very high	19 Å²	19	55.1 Å²	55.1	16%	0.157	30%	0.295	C	S	.	.			trans	-62.8	168.8	165.4	0	0	0	0	0	110.6	R253 F254	A244-R253 HydrophobicContact CB-CB 3.55Å; A244-F254 HydrophobicContact CB-CB 4.3Å; A244-F254 WeakPolarHBondContact O-CD2 3.46Å
245	H	98.1	Very high	97	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.259	30%	0.298	S	S	.	.			trans	-77.3	144	173.7	-172.1	-92.3	0	0	0	109.8	F135 S247 S250	F135-H245 AromaticContact CE1-NE2 3.7Å; F135-H245 AromaticContact CZ-NE2 3.8Å; H245-S247 WeakPolarHBondContact ND1-CB 3.34Å; H245-S247 PolarHBondContact ND1-N 2.88Å; H245-S247 PolarHBondContact ND1-OG 3.17Å; H245-S247 PolarHBondContact O-N 3.31Å; H245-S247 VanDerWaalsContact O-N 3.1Å; H245-S250 PolarHBondContact N-OG 3.02Å; H245-S250 PolarHBondContact O-OG 3.38Å
246	P	98	Very high	97.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-72.6	5.2	179.2	28.9	-37.2	0	0	0	114.6	F135 N149 I150 W222 F254	F135-P246 HydrophobicContact CE1-CG 3.93Å; F135-P246 HydrophobicContact CZ-CG 4.34Å; N149-P246 HydrophobicContact CB-CB 4.28Å; N149-P246 VanDerWaalsContact CB-O 3.26Å; N149-P246 WeakPolarHBondContact CB-O 3.05Å; N149-P246 PolarHBondContact ND2-O 3.18Å; I150-P246 HydrophobicContact CD1-CB 4.4Å; I150-P246 HydrophobicContact CD1-CG 4.01Å; I150-P246 HydrophobicContact CG1-CB 3.84Å; I150-P246 HydrophobicContact CG1-CG 3.94Å; W222-P246 HydrophobicContact CE3-CG 4.02Å; P246-F254 HydrophobicContact CB-CD1 3.85Å; P246-F254 HydrophobicContact CB-CD2 4.19Å; P246-F254 HydrophobicContact CB-CE1 3.79Å; P246-F254 HydrophobicContact CB-CE2 4.12Å; P246-F254 HydrophobicContact CB-CG 4.04Å; P246-F254 HydrophobicContact CB-CZ 3.92Å; P246-F254 HydrophobicContact CG-CE2 4.49Å
247	S	96.7	Very high	97.4	Very high	24 Å²	24	52.5 Å²	52.5	17%	0.168	28%	0.284	C	S	.	.	S	Bend	trans	-66.8	158.2	179.4	54.8	0	0	0	0	111.7	H245 L249 S250 Q251	H245-S247 WeakPolarHBondContact ND1-CB 3.34Å; H245-S247 PolarHBondContact ND1-N 2.88Å; H245-S247 PolarHBondContact ND1-OG 3.17Å; H245-S247 PolarHBondContact O-N 3.31Å; H245-S247 VanDerWaalsContact O-N 3.1Å; S247-L249 PolarHBondContact O-N 2.99Å; S247-S250 PolarHBondContact O-N 2.58Å; S247-S250 PolarHBondContact OG-OG 2.95Å; S247-Q251 PolarHBondContact O-N 3.01Å
248	P	96	Very high	97.7	Very high	71 Å²	71	55.4 Å²	55.4	46%	0.461	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.3	177.5	-29.9	36.7	0	0	0	114.3	P145 S250	P145-P248 HydrophobicContact CB-CG 3.68Å; P248-S250 VanDerWaalsContact C-N 3.29Å; P248-S250 PolarHBondContact O-N 3.47Å
249	L	96.1	Very high	97.7	Very high	165 Å²	165	55.2 Å²	55.2	86%	0.864	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.2	179.8	-60.7	177.2	0	0	0	114.3	S247	S247-L249 PolarHBondContact O-N 2.99Å
250	S	96.4	Very high	97.8	Very high	11 Å²	11	53.3 Å²	53.3	8%	0.077	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	8.2	-178.4	53.5	0	0	0	0	114.9	H245 S247 P248 S252 R253 F254	H245-S250 PolarHBondContact N-OG 3.02Å; H245-S250 PolarHBondContact O-OG 3.38Å; S247-S250 PolarHBondContact O-N 2.58Å; S247-S250 PolarHBondContact OG-OG 2.95Å; P248-S250 VanDerWaalsContact C-N 3.29Å; P248-S250 PolarHBondContact O-N 3.47Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.38Å; S250-R253 PolarHBondContact O-N 3.13Å; S250-F254 PolarHBondContact O-N 3.38Å
251	Q	96.9	Very high	97.8	Very high	66 Å²	66	52.7 Å²	52.7	31%	0.308	28%	0.284	S	S	.	.	H	α-helix	trans	-54.5	-37.1	-176.4	68.2	-174.1	-7.8	0	0	113.6	N149 S247 R253 F254 F255	N149-Q251 WeakPolarHBondContact ND2-CB 3.47Å; N149-Q251 PolarHBondContact ND2-OE1 3.36Å; N149-Q251 PolarHBondContact OD1-OE1 3.41Å; S247-Q251 PolarHBondContact O-N 3.01Å; Q251-R253 PolarHBondContact O-N 2.63Å; Q251-F254 WeakPolarHBondContact O-CA 3.36Å; Q251-F254 WeakPolarHBondContact O-CB 3.42Å; Q251-F254 PolarHBondContact O-N 2.89Å; Q251-F255 HydrophobicContact CB-CE2 3.87Å; Q251-F255 HydrophobicContact CB-CZ 3.89Å; Q251-F255 HydrophobicContact CG-CE2 3.95Å; Q251-F255 HydrophobicContact CG-CZ 4.35Å; Q251-F255 VanDerWaalsContact O-CD2 3.24Å; Q251-F255 WeakPolarHBondContact O-CD2 3.47Å; Q251-F255 VanDerWaalsContact O-CG 3.3Å; Q251-F255 WeakPolarHBondContact O-CG 3.29Å; Q251-F255 PolarHBondContact O-N 3.46Å
252	S	96.9	Very high	97.8	Very high	99 Å²	99	56.5 Å²	56.5	69%	0.692	30%	0.3	S	S	*	.	H	α-helix	trans	-62.9	-26.1	178.7	57.2	0	0	0	0	113.6	S250	S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.38Å
253	R	97.7	Very high	97.8	Very high	184 Å²	184	51.9 Å²	51.9	69%	0.694	28%	0.28	S	S	*	.	H	α-helix	trans	-92.9	-13.3	173.6	-65.8	-176.7	-72	170.5	-5.3	112.8	A244 S250 Q251	A244-R253 HydrophobicContact CB-CB 3.55Å; S250-R253 PolarHBondContact O-N 3.13Å; Q251-R253 PolarHBondContact O-N 2.63Å
254	F	98.5	Very high	97.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-83.8	-42	175.6	-179.7	-103.9	0	0	0	110.6	I150 E153 W222 A243 A244 P246 S250 Q251 C257	I150-F254 HydrophobicContact CG1-CE1 4.39Å; I150-F254 HydrophobicContact CG1-CZ 4.21Å; E153-F254 HydrophobicContact CB-CD1 4.31Å; E153-F254 HydrophobicContact CB-CE1 3.66Å; E153-F254 HydrophobicContact CB-CZ 4.38Å; E153-F254 HydrophobicContact CG-CE1 4.09Å; E153-F254 HydrophobicContact CG-CZ 4.43Å; W222-F254 AromaticContact CD2-CE2 3.83Å; W222-F254 HydrophobicContact CD2-CE2 3.83Å; W222-F254 HydrophobicContact CD2-CZ 4.4Å; W222-F254 AromaticContact CE2-CE2 3.96Å; W222-F254 HydrophobicContact CE3-CE2 4.19Å; W222-F254 HydrophobicContact CE3-CZ 4.43Å; W222-F254 HydrophobicContact CG-CE2 4.09Å; W222-F254 HydrophobicContact CZ2-CE2 4.46Å; W222-F254 HydrophobicContact CZ2-CZ 4.44Å; W222-F254 HydrophobicContact CZ3-CZ 4.49Å; A243-F254 HydrophobicContact CB-CD2 4.18Å; A243-F254 HydrophobicContact CB-CE2 4.39Å; A244-F254 HydrophobicContact CB-CB 4.3Å; A244-F254 WeakPolarHBondContact O-CD2 3.46Å; P246-F254 HydrophobicContact CB-CD1 3.85Å; P246-F254 HydrophobicContact CB-CD2 4.19Å; P246-F254 HydrophobicContact CB-CE1 3.79Å; P246-F254 HydrophobicContact CB-CE2 4.12Å; P246-F254 HydrophobicContact CB-CG 4.04Å; P246-F254 HydrophobicContact CB-CZ 3.92Å; P246-F254 HydrophobicContact CG-CE2 4.49Å; S250-F254 PolarHBondContact O-N 3.38Å; Q251-F254 WeakPolarHBondContact O-CA 3.36Å; Q251-F254 WeakPolarHBondContact O-CB 3.42Å; Q251-F254 PolarHBondContact O-N 2.89Å; F254-C257 WeakPolarHBondContact O-CB 3.33Å; F254-C257 PolarHBondContact O-N 3.31Å; F254-C257 PolarHBondContact O-SG 2.63Å
255	F	98.4	Very high	97.8	Very high	76 Å²	76	56.9 Å²	56.9	33%	0.333	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	137.2	178.6	-59.3	-37.6	0	0	0	112.3	N149 K152 E153 Q251 C257	N149-F255 HydrophobicContact CB-CE1 3.84Å; N149-F255 HydrophobicContact CB-CZ 4.04Å; N149-F255 WeakPolarHBondContact OD1-CZ 3.49Å; K152-F255 HydrophobicContact CB-CE1 3.97Å; K152-F255 HydrophobicContact CD-CE1 4.33Å; K152-F255 HydrophobicContact CD-CZ 4.07Å; E153-F255 VanDerWaalsContact OE2-CA 3.28Å; E153-F255 WeakPolarHBondContact OE2-CA 3.45Å; Q251-F255 HydrophobicContact CB-CE2 3.87Å; Q251-F255 HydrophobicContact CB-CZ 3.89Å; Q251-F255 HydrophobicContact CG-CE2 3.95Å; Q251-F255 HydrophobicContact CG-CZ 4.35Å; Q251-F255 VanDerWaalsContact O-CD2 3.24Å; Q251-F255 WeakPolarHBondContact O-CD2 3.47Å; Q251-F255 VanDerWaalsContact O-CG 3.3Å; Q251-F255 WeakPolarHBondContact O-CG 3.29Å; Q251-F255 PolarHBondContact O-N 3.46Å; F255-C257 VanDerWaalsContact C-N 3.27Å
256	G	98.1	Very high	97.8	Very high	52 Å²	52	54.5 Å²	54.5	54%	0.536	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	8.8	-176.4	0	0	0	0	0	114.1	E153 K258	E153-G256 PolarHBondContact OE2-N 2.98Å; G256-K258 PolarHBondContact O-N 2.94Å
257	C	97.9	Very high	97.8	Very high	21 Å²	21	54.5 Å²	54.5	14%	0.142	29%	0.289	C	S	.	.			trans	-69.7	-21	178.3	73.2	0	0	0	0	112.9	E153 A243 F254 F255 C259 K262	E153-C257 PolarHBondContact OE1-N 3.38Å; A243-C257 HydrophobicContact CB-CB 3.88Å; F254-C257 WeakPolarHBondContact O-CB 3.33Å; F254-C257 PolarHBondContact O-N 3.31Å; F254-C257 PolarHBondContact O-SG 2.63Å; F255-C257 VanDerWaalsContact C-N 3.27Å; C257-C259 VanDerWaalsContact C-N 3.27Å; C257-C259 PolarHBondContact O-N 3.18Å; C257-K262 WeakPolarHBondContact O-CE 3.34Å; C257-K262 PolarHBondContact O-NZ 3.05Å
258	K	98.3	Very high	97.9	Very high	113 Å²	113	59.6 Å²	59.6	49%	0.491	31%	0.308	S	S	.	.			trans	53.5	39.7	179.4	-63.3	-167.9	176.1	-167.2	0	113.4	E153 D157 G256 F260 S261 K262	E153-K258 WeakPolarHBondContact OE1-CA 3.48Å; E153-K258 PolarHBondContact OE1-N 3.33Å; D157-K258 WeakPolarHBondContact OD1-CA 3.46Å; D157-K258 VanDerWaalsContact OD1-CB 3.25Å; D157-K258 WeakPolarHBondContact OD1-CB 3.11Å; D157-K258 VanDerWaalsContact OD2-CA 3.3Å; D157-K258 WeakPolarHBondContact OD2-CA 3.22Å; G256-K258 PolarHBondContact O-N 2.94Å; K258-F260 VanDerWaalsContact C-N 3.33Å; K258-F260 PolarHBondContact O-N 3.5Å; K258-S261 PolarHBondContact O-OG 3.46Å; K258-K262 WeakPolarHBondContact O-CB 3.31Å; K258-K262 VanDerWaalsContact O-CD 3.3Å; K258-K262 WeakPolarHBondContact O-CD 3.38Å; K258-K262 WeakPolarHBondContact O-CG 3.36Å; K258-K262 PolarHBondContact O-N 3.48Å
259	C	98.4	Very high	97.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.8	-26.2	-170.6	58.5	0	0	0	0	113.7	D157 M220 I241 C257 A263	D157-C259 PolarHBondContact OD2-N 2.74Å; M220-C259 HydrophobicContact SD-CB 4.44Å; I241-C259 HydrophobicContact CG2-CB 3.97Å; C257-C259 VanDerWaalsContact C-N 3.27Å; C257-C259 PolarHBondContact O-N 3.18Å; C259-A263 WeakPolarHBondContact O-CB 3.49Å; C259-A263 PolarHBondContact O-N 3.34Å
260	F	98.8	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-79.7	-42.8	-177.2	-57.4	-84.8	0	0	0	111.6	I150 E153 L154 D157 I158 W172 W222 K258 A263 N264 W277	I150-F260 HydrophobicContact CG2-CZ 3.91Å; E153-F260 HydrophobicContact CB-CE2 4.34Å; E153-F260 HydrophobicContact CG-CD2 4.21Å; E153-F260 HydrophobicContact CG-CE2 3.92Å; L154-F260 HydrophobicContact CD1-CE1 4.22Å; L154-F260 HydrophobicContact CD1-CE2 4.32Å; L154-F260 HydrophobicContact CD1-CZ 4.05Å; L154-F260 HydrophobicContact CD2-CB 3.97Å; L154-F260 HydrophobicContact CD2-CD1 3.62Å; L154-F260 HydrophobicContact CD2-CD2 3.61Å; L154-F260 HydrophobicContact CD2-CE1 3.96Å; L154-F260 HydrophobicContact CD2-CE2 3.97Å; L154-F260 HydrophobicContact CD2-CG 3.44Å; L154-F260 VanDerWaalsContact CD2-CG 3.44Å; L154-F260 HydrophobicContact CD2-CZ 4.14Å; L154-F260 HydrophobicContact CG-CD1 4.24Å; L154-F260 HydrophobicContact CG-CD2 3.75Å; L154-F260 HydrophobicContact CG-CE1 4.11Å; L154-F260 HydrophobicContact CG-CE2 3.62Å; L154-F260 HydrophobicContact CG-CG 4.07Å; L154-F260 HydrophobicContact CG-CZ 3.83Å; D157-F260 WeakPolarHBondContact OD2-CA 3.45Å; D157-F260 VanDerWaalsContact OD2-CB 3.27Å; D157-F260 WeakPolarHBondContact OD2-CB 3.47Å; D157-F260 PolarHBondContact OD2-N 3.36Å; I158-F260 HydrophobicContact CD1-CB 3.79Å; I158-F260 HydrophobicContact CG1-CB 3.86Å; W172-F260 HydrophobicContact CH2-CE1 4.15Å; W172-F260 HydrophobicContact CZ3-CE1 4.39Å; W222-F260 HydrophobicContact CH2-CE1 4.16Å; W222-F260 AromaticContact CH2-CZ 3.77Å; W222-F260 HydrophobicContact CH2-CZ 3.77Å; W222-F260 HydrophobicContact CZ2-CE1 4.28Å; W222-F260 AromaticContact CZ2-CZ 3.93Å; W222-F260 HydrophobicContact CZ2-CZ 3.93Å; K258-F260 VanDerWaalsContact C-N 3.33Å; K258-F260 PolarHBondContact O-N 3.5Å; F260-A263 PolarHBondContact O-N 3.12Å; F260-N264 PolarHBondContact O-N 2.89Å; F260-N264 VanDerWaalsContact O-N 3.08Å; F260-W277 HydrophobicContact CB-CD2 4.37Å; F260-W277 HydrophobicContact CB-CG 4.49Å; F260-W277 HydrophobicContact CB-CZ2 4.42Å; F260-W277 AromaticContact CD1-CD2 3.81Å; F260-W277 HydrophobicContact CD1-CD2 3.81Å; F260-W277 AromaticContact CD1-CE2 3.89Å; F260-W277 AromaticContact CD1-CE3 3.81Å; F260-W277 HydrophobicContact CD1-CE3 3.81Å; F260-W277 HydrophobicContact CD1-CG 4.49Å; F260-W277 HydrophobicContact CD1-CH2 4.02Å; F260-W277 HydrophobicContact CD1-CZ2 4.01Å; F260-W277 AromaticContact CD1-CZ3 3.91Å; F260-W277 HydrophobicContact CD1-CZ3 3.91Å; F260-W277 HydrophobicContact CE1-CE3 4.28Å; F260-W277 HydrophobicContact CE1-CZ3 4.24Å; F260-W277 PolarHBondContact O-NE1 3.02Å
261	S	98.6	Very high	97.6	Very high	26 Å²	26	58.1 Å²	58.1	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-44.5	173.4	59.8	0	0	0	0	111.1	D157 K258 A263 N264 E265	D157-S261 WeakPolarHBondContact OD1-CB 3.48Å; D157-S261 PolarHBondContact OD1-OG 2.88Å; D157-S261 PolarHBondContact OD2-N 3.39Å; K258-S261 PolarHBondContact O-OG 3.46Å; S261-A263 VanDerWaalsContact C-N 3.3Å; S261-A263 PolarHBondContact O-N 3.27Å; S261-N264 PolarHBondContact O-N 3.49Å; S261-N264 VanDerWaalsContact O-N 3.08Å; S261-E265 WeakPolarHBondContact O-CG 3.28Å; S261-E265 PolarHBondContact O-N 2.84Å
262	K	98.7	Very high	97.5	Very high	97 Å²	97	57.1 Å²	57.1	42%	0.422	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-39.8	173.6	-73.3	171.5	-176.4	169.7	0	112.7	I241 C257 K258 N264 E265 A266	I241-K262 HydrophobicContact CD1-CB 3.74Å; C257-K262 WeakPolarHBondContact O-CE 3.34Å; C257-K262 PolarHBondContact O-NZ 3.05Å; K258-K262 WeakPolarHBondContact O-CB 3.31Å; K258-K262 VanDerWaalsContact O-CD 3.3Å; K258-K262 WeakPolarHBondContact O-CD 3.38Å; K258-K262 WeakPolarHBondContact O-CG 3.36Å; K258-K262 PolarHBondContact O-N 3.48Å; K262-N264 VanDerWaalsContact C-N 3.35Å; K262-E265 PolarHBondContact O-N 3.3Å; K262-A266 VanDerWaalsContact O-CB 3.29Å; K262-A266 WeakPolarHBondContact O-CB 3.27Å; K262-A266 PolarHBondContact O-N 2.88Å
263	A	98.7	Very high	97.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-43.2	175.2	0	0	0	0	0	111.3	V218 M220 I241 C259 F260 S261 A266 L267 W277	V218-A263 HydrophobicContact CG1-CB 3.99Å; M220-A263 HydrophobicContact SD-CB 4.22Å; I241-A263 HydrophobicContact CD1-CB 4.01Å; C259-A263 WeakPolarHBondContact O-CB 3.49Å; C259-A263 PolarHBondContact O-N 3.34Å; F260-A263 PolarHBondContact O-N 3.12Å; S261-A263 VanDerWaalsContact C-N 3.3Å; S261-A263 PolarHBondContact O-N 3.27Å; A263-A266 PolarHBondContact O-N 3.46Å; A263-L267 VanDerWaalsContact O-CG 3.3Å; A263-L267 WeakPolarHBondContact O-CG 3.35Å; A263-L267 PolarHBondContact O-N 2.85Å; A263-W277 HydrophobicContact CB-CZ2 4.25Å
264	N	98.7	Very high	97.5	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-36.8	177	-80.6	-8.5	0	0	0	113.2	F260 S261 K262 L267 K268 P274 I275 W277	F260-N264 PolarHBondContact O-N 2.89Å; F260-N264 VanDerWaalsContact O-N 3.08Å; S261-N264 PolarHBondContact O-N 3.49Å; S261-N264 VanDerWaalsContact O-N 3.08Å; K262-N264 VanDerWaalsContact C-N 3.35Å; N264-L267 PolarHBondContact O-N 2.76Å; N264-K268 VanDerWaalsContact O-CG 3.28Å; N264-K268 WeakPolarHBondContact O-CG 3.26Å; N264-K268 PolarHBondContact O-N 2.8Å; N264-K268 VanDerWaalsContact O-N 3.11Å; N264-P274 HydrophobicContact CB-CB 3.84Å; N264-P274 VanDerWaalsContact CG-CB 3.44Å; N264-I275 PolarHBondContact ND2-O 2.85Å; N264-I275 PolarHBondContact OD1-N 2.57Å; N264-W277 PolarHBondContact ND2-NE1 3.25Å; N264-W277 PolarHBondContact OD1-NE1 3.04Å
265	E	98.5	Very high	97.6	Very high	113 Å²	113	52.5 Å²	52.5	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-49.6	172.4	-72.4	171.4	178.8	0	0	111	S261 K262 L267 K268 E269	S261-E265 WeakPolarHBondContact O-CG 3.28Å; S261-E265 PolarHBondContact O-N 2.84Å; K262-E265 PolarHBondContact O-N 3.3Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-L267 PolarHBondContact O-N 3.07Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 PolarHBondContact O-N 3.45Å; E265-K268 VanDerWaalsContact O-N 3.12Å; E265-E269 PolarHBondContact O-N 2.93Å
266	A	97.9	Very high	97.5	Very high	6 Å²	6	53.3 Å²	53.3	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-43	175.7	0	0	0	0	0	112.7	V218 I239 K262 A263 K268 E269 Y270	V218-A266 HydrophobicContact CG2-CB 3.67Å; I239-A266 HydrophobicContact CB-CB 4.31Å; I239-A266 HydrophobicContact CD1-CB 3.5Å; I239-A266 HydrophobicContact CG1-CB 4.48Å; I239-A266 HydrophobicContact CG2-CB 4.06Å; K262-A266 VanDerWaalsContact O-CB 3.29Å; K262-A266 WeakPolarHBondContact O-CB 3.27Å; K262-A266 PolarHBondContact O-N 2.88Å; A263-A266 PolarHBondContact O-N 3.46Å; A266-K268 PolarHBondContact O-N 2.95Å; A266-E269 PolarHBondContact O-N 3.46Å; A266-Y270 VanDerWaalsContact O-CD2 3.25Å; A266-Y270 WeakPolarHBondContact O-CD2 3.49Å; A266-Y270 PolarHBondContact O-N 3.07Å
267	L	98.1	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-41.5	176.1	-72.2	173.7	0	0	0	112.2	K104 V105 V218 A263 N264 E265 E269 Y270 G271 K272 I275	K104-L267 HydrophobicContact CB-CD1 4.24Å; K104-L267 HydrophobicContact CB-CD2 3.85Å; K104-L267 HydrophobicContact CG-CD2 4.48Å; V105-L267 HydrophobicContact CG2-CD1 4.05Å; V218-L267 HydrophobicContact CG2-CD2 4.05Å; V218-L267 HydrophobicContact CG2-CG 4.06Å; A263-L267 VanDerWaalsContact O-CG 3.3Å; A263-L267 WeakPolarHBondContact O-CG 3.35Å; A263-L267 PolarHBondContact O-N 2.85Å; N264-L267 PolarHBondContact O-N 2.76Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-L267 PolarHBondContact O-N 3.07Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.5Å; L267-Y270 CarbonylContact O-C 3.51Å; L267-Y270 PolarHBondContact O-N 3Å; L267-Y270 VanDerWaalsContact O-N 3.1Å; L267-G271 PolarHBondContact O-N 3.2Å; L267-K272 CarbonylContact C-O 3.54Å; L267-K272 HydrophobicContact CB-CB 4.22Å; L267-K272 HydrophobicContact CD2-CB 4.24Å; L267-K272 HydrophobicContact CD2-CD 3.94Å; L267-K272 WeakPolarHBondContact O-CB 3.37Å; L267-K272 PolarHBondContact O-N 2.97Å; L267-I275 HydrophobicContact CD1-CD1 4.2Å; L267-I275 HydrophobicContact CD1-CG1 3.84Å
268	K	97.9	Very high	97.5	Very high	131 Å²	131	53.1 Å²	53.1	57%	0.57	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-37.7	176.7	-70.8	168.5	-175.9	177.7	0	112	N264 E265 A266 Y270 G271	N264-K268 VanDerWaalsContact O-CG 3.28Å; N264-K268 WeakPolarHBondContact O-CG 3.26Å; N264-K268 PolarHBondContact O-N 2.8Å; N264-K268 VanDerWaalsContact O-N 3.11Å; E265-K268 WeakPolarHBondContact O-CB 3.41Å; E265-K268 PolarHBondContact O-N 3.45Å; E265-K268 VanDerWaalsContact O-N 3.12Å; A266-K268 PolarHBondContact O-N 2.95Å; K268-Y270 PolarHBondContact O-N 3.34Å; K268-G271 PolarHBondContact O-N 3.5Å
269	E	94.8	Very high	97.4	Very high	112 Å²	112	48.2 Å²	48.2	52%	0.523	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-27.7	174.8	-68.8	-177.8	-167.1	0	0	113.1	R21 E265 A266 L267 G271	R21-E269 PolarHBondContact NH1-O 3.32Å; E265-E269 PolarHBondContact O-N 2.93Å; A266-E269 PolarHBondContact O-N 3.46Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.5Å; E269-G271 VanDerWaalsContact C-N 3.33Å
270	Y	93.3	Very high	97	Very high	32 Å²	32	55.1 Å²	55.1	13%	0.125	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	5.3	172.6	-72.2	-67.6	0	0	0	113.7	Y215 G216 K237 I239 A266 L267 K268 K272	Y215-Y270 HydrophobicContact CD1-CD1 4.32Å; Y215-Y270 AromaticContact CE1-CD1 3.63Å; Y215-Y270 HydrophobicContact CE1-CD1 3.63Å; Y215-Y270 AromaticContact CE1-CE1 3.71Å; Y215-Y270 HydrophobicContact CE1-CE1 3.71Å; Y215-Y270 AromaticContact CZ-CE1 3.75Å; G216-Y270 VanDerWaalsContact CA-CD2 3.44Å; G216-Y270 VanDerWaalsContact CA-CG 3.47Å; K237-Y270 PolarHBondContact O-OH 3.17Å; I239-Y270 HydrophobicContact CD1-CD2 4.29Å; I239-Y270 HydrophobicContact CD1-CE2 3.5Å; I239-Y270 HydrophobicContact CG1-CE2 3.78Å; A266-Y270 VanDerWaalsContact O-CD2 3.25Å; A266-Y270 WeakPolarHBondContact O-CD2 3.49Å; A266-Y270 PolarHBondContact O-N 3.07Å; L267-Y270 CarbonylContact O-C 3.51Å; L267-Y270 PolarHBondContact O-N 3Å; L267-Y270 VanDerWaalsContact O-N 3.1Å; K268-Y270 PolarHBondContact O-N 3.34Å; Y270-K272 PolarHBondContact O-N 3.26Å
271	G	94.1	Very high	96.9	Very high	71 Å²	71	57.9 Å²	57.9	73%	0.732	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	21.1	-177.1	0	0	0	0	0	113.7	L267 K268 E269	L267-G271 PolarHBondContact O-N 3.2Å; K268-G271 PolarHBondContact O-N 3.5Å; E269-G271 VanDerWaalsContact C-N 3.33Å
272	K	95.8	Very high	96.8	Very high	46 Å²	46	59.6 Å²	59.6	20%	0.2	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-96	150.7	177.1	-64.3	-175.7	176	-176.7	0	110.9	Y215 G216 L267 Y270	Y215-K272 VanDerWaalsContact O-CE 3.3Å; Y215-K272 WeakPolarHBondContact O-CE 3.21Å; Y215-K272 PolarHBondContact O-NZ 3.11Å; G216-K272 WeakPolarHBondContact O-CE 3.43Å; G216-K272 PolarHBondContact O-NZ 2.98Å; L267-K272 CarbonylContact C-O 3.54Å; L267-K272 HydrophobicContact CB-CB 4.22Å; L267-K272 HydrophobicContact CD2-CB 4.24Å; L267-K272 HydrophobicContact CD2-CD 3.94Å; L267-K272 WeakPolarHBondContact O-CB 3.37Å; L267-K272 PolarHBondContact O-N 2.97Å; Y270-K272 PolarHBondContact O-N 3.26Å
273	N	96.9	Very high	96.7	Very high	126 Å²	126	57.5 Å²	57.5	67%	0.674	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-63.6	137.3	171.2	-68	-23.5	0	0	0	110.2
274	P	98.1	Very high	96.6	Very high	54 Å²	54	60.9 Å²	60.9	35%	0.351	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-61.2	158.3	172.4	28.4	-34.8	0	0	0	110.8	N264	N264-P274 HydrophobicContact CB-CB 3.84Å; N264-P274 VanDerWaalsContact CG-CB 3.44Å
275	I	98.6	Very high	96.4	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72.8	132.2	170.6	-57.2	-59.1	0	0	0	108.8	K104 V105 E175 V177 N264 L267 W277	K104-I275 HydrophobicContact CB-CD1 4Å; K104-I275 HydrophobicContact CD-CD1 3.7Å; V105-I275 HydrophobicContact CG2-CD1 4.16Å; V105-I275 HydrophobicContact CG2-CG1 3.8Å; E175-I275 HydrophobicContact CB-CD1 4.19Å; E175-I275 HydrophobicContact CB-CG2 4Å; E175-I275 WeakPolarHBondContact O-CD1 3.15Å; V177-I275 HydrophobicContact CG2-CD1 3.83Å; V177-I275 HydrophobicContact CG2-CG1 4Å; V177-I275 HydrophobicContact CG2-CG2 3.88Å; N264-I275 PolarHBondContact ND2-O 2.85Å; N264-I275 PolarHBondContact OD1-N 2.57Å; L267-I275 HydrophobicContact CD1-CD1 4.2Å; L267-I275 HydrophobicContact CD1-CG1 3.84Å; I275-W277 HydrophobicContact CB-CD2 4.01Å; I275-W277 HydrophobicContact CB-CE3 4.36Å; I275-W277 HydrophobicContact CB-CH2 4.01Å; I275-W277 HydrophobicContact CB-CZ2 3.62Å; I275-W277 HydrophobicContact CB-CZ3 4.36Å; I275-W277 HydrophobicContact CG1-CH2 3.97Å; I275-W277 HydrophobicContact CG1-CZ2 3.79Å; I275-W277 HydrophobicContact CG2-CD2 3.63Å; I275-W277 HydrophobicContact CG2-CE3 3.59Å; I275-W277 HydrophobicContact CG2-CG 4.3Å; I275-W277 HydrophobicContact CG2-CH2 3.86Å; I275-W277 HydrophobicContact CG2-CZ2 3.9Å; I275-W277 HydrophobicContact CG2-CZ3 3.72Å; I275-W277 PolarHBondContact O-N 3.42Å
276	N	98.2	Very high	96.3	Very high	93 Å²	93	60.1 Å²	60.1	50%	0.497	33%	0.33	S	S	.	.			trans	-74.6	104.9	160.9	-175.6	9.2	0	0	0	109.4	E175 D278	E175-N276 HydrophobicContact CG-CB 4.33Å; E175-N276 PolarHBondContact OE2-N 2.92Å; E175-N276 VanDerWaalsContact OE2-N 3.13Å; N276-D278 VanDerWaalsContact C-N 3.29Å; N276-D278 WeakPolarHBondContact OD1-CB 3.31Å; N276-D278 PolarHBondContact OD1-N 3.2Å; N276-D278 VanDerWaalsContact OD1-N 3.1Å
277	W	98.3	Very high	96.2	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.015	35%	0.35	C	S	.	.			trans	-80.1	-8.9	-179.8	-60.6	112.1	0	0	0	113.4	L154 I158 F161 W172 V177 M220 F260 A263 N264 I275	L154-W277 HydrophobicContact CD2-CB 3.95Å; L154-W277 HydrophobicContact CD2-CG 4.21Å; I158-W277 HydrophobicContact CG1-CG 4.37Å; F161-W277 VanDerWaalsContact CE2-O 3.28Å; F161-W277 WeakPolarHBondContact CE2-O 3.46Å; W172-W277 AromaticContact CD2-CE3 3.87Å; W172-W277 HydrophobicContact CD2-CE3 3.87Å; W172-W277 HydrophobicContact CD2-CZ3 4.06Å; W172-W277 AromaticContact CE2-CE3 3.74Å; W172-W277 HydrophobicContact CE3-CE3 4.32Å; W172-W277 HydrophobicContact CE3-CZ3 4.16Å; W172-W277 HydrophobicContact CG-CE3 4.2Å; W172-W277 HydrophobicContact CG-CZ3 4.39Å; W172-W277 HydrophobicContact CZ2-CE3 4.12Å; W172-W277 AromaticContact NE1-CE3 3.92Å; W172-W277 PolarHBondContact NE1-O 3.35Å; V177-W277 HydrophobicContact CG2-CH2 4.04Å; V177-W277 HydrophobicContact CG2-CZ3 3.92Å; M220-W277 HydrophobicContact CE-CH2 4.13Å; F260-W277 HydrophobicContact CB-CD2 4.37Å; F260-W277 HydrophobicContact CB-CG 4.49Å; F260-W277 HydrophobicContact CB-CZ2 4.42Å; F260-W277 AromaticContact CD1-CD2 3.81Å; F260-W277 HydrophobicContact CD1-CD2 3.81Å; F260-W277 AromaticContact CD1-CE2 3.89Å; F260-W277 AromaticContact CD1-CE3 3.81Å; F260-W277 HydrophobicContact CD1-CE3 3.81Å; F260-W277 HydrophobicContact CD1-CG 4.49Å; F260-W277 HydrophobicContact CD1-CH2 4.02Å; F260-W277 HydrophobicContact CD1-CZ2 4.01Å; F260-W277 AromaticContact CD1-CZ3 3.91Å; F260-W277 HydrophobicContact CD1-CZ3 3.91Å; F260-W277 HydrophobicContact CE1-CE3 4.28Å; F260-W277 HydrophobicContact CE1-CZ3 4.24Å; F260-W277 PolarHBondContact O-NE1 3.02Å; A263-W277 HydrophobicContact CB-CZ2 4.25Å; N264-W277 PolarHBondContact ND2-NE1 3.25Å; N264-W277 PolarHBondContact OD1-NE1 3.04Å; I275-W277 HydrophobicContact CB-CD2 4.01Å; I275-W277 HydrophobicContact CB-CE3 4.36Å; I275-W277 HydrophobicContact CB-CH2 4.01Å; I275-W277 HydrophobicContact CB-CZ2 3.62Å; I275-W277 HydrophobicContact CB-CZ3 4.36Å; I275-W277 HydrophobicContact CG1-CH2 3.97Å; I275-W277 HydrophobicContact CG1-CZ2 3.79Å; I275-W277 HydrophobicContact CG2-CD2 3.63Å; I275-W277 HydrophobicContact CG2-CE3 3.59Å; I275-W277 HydrophobicContact CG2-CG 4.3Å; I275-W277 HydrophobicContact CG2-CH2 3.86Å; I275-W277 HydrophobicContact CG2-CZ2 3.9Å; I275-W277 HydrophobicContact CG2-CZ3 3.72Å; I275-W277 PolarHBondContact O-N 3.42Å
278	D	96.4	Very high	96	Very high	66 Å²	66	68.8 Å²	68.8	35%	0.353	38%	0.376	S	S	.	.			trans	-62.9	142.8	177.1	-162	-0.7	0	0	0	111.5	N276 N280	N276-D278 VanDerWaalsContact C-N 3.29Å; N276-D278 WeakPolarHBondContact OD1-CB 3.31Å; N276-D278 PolarHBondContact OD1-N 3.2Å; N276-D278 VanDerWaalsContact OD1-N 3.1Å; D278-N280 PolarHBondContact OD1-N 2.73Å; D278-N280 VanDerWaalsContact OD1-N 3.09Å; D278-N280 PolarHBondContact OD1-ND2 3.23Å
279	L	96.1	Very high	95.9	Very high	9 Å²	9	63.7 Å²	63.7	5%	0.047	36%	0.36	C	S	.	.			trans	-122.2	1.9	-176.3	-68.1	178.1	0	0	0	112.5	F151 P164 H166 L169 S171 W172	F151-L279 HydrophobicContact CE1-CD1 3.54Å; F151-L279 HydrophobicContact CZ-CD1 3.63Å; P164-L279 HydrophobicContact CB-CB 4.07Å; P164-L279 HydrophobicContact CG-CB 3.7Å; P164-L279 HydrophobicContact CG-CD1 3.82Å; P164-L279 HydrophobicContact CG-CG 4.41Å; H166-L279 PolarHBondContact CE1-O 2.95Å; H166-L279 PolarHBondContact NE2-O 3.13Å; L169-L279 HydrophobicContact CD2-CD1 3.58Å; L169-L279 HydrophobicContact CD2-CD2 4.33Å; S171-L279 WeakPolarHBondContact OG-CD2 3.26Å; W172-L279 VanDerWaalsContact CD1-CD2 3.5Å; W172-L279 HydrophobicContact CD2-CD2 4.33Å; W172-L279 HydrophobicContact CG-CD2 4.16Å; W172-L279 HydrophobicContact CZ2-CD1 3.89Å; W172-L279 HydrophobicContact CZ2-CD2 4.44Å; W172-L279 HydrophobicContact CZ2-CG 4.26Å
280	N	90	Very high	96	Very high	146 Å²	146	59.3 Å²	59.3	78%	0.781	35%	0.346	S	S	*	.			trans	-93.7	0	-179.7	-57.8	-77.4	0	0	0	113.4	K162 D278	K162-N280 PolarHBondContact O-ND2 3.25Å; D278-N280 PolarHBondContact OD1-N 2.73Å; D278-N280 VanDerWaalsContact OD1-N 3.09Å; D278-N280 PolarHBondContact OD1-ND2 3.23Å

Retrieved 280 of 280 residues in 64.8 ms (Link to these results)

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