H2QQY8_PANTR Loading...

rRNA adenine N(6)-methyltransferase

Specifically dimethylates two adjacent adenosines in the loop of a conserved hairpin near the 3'-end of 18S rRNA in the 40S particle. Involved in the pre-rRNA processing steps leading to small-subunit rRNA production independently of its RNA-modifying catalytic activity. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession H2QQY8, Species PANTR (Pan troglodytes, Chimpanzee), Gene DIMT1, Length 313 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	38.2	Very low	41.3	Very low	242 Å²	242	138.5 Å²	138.5	100%	1.192	76%	0.764	S	S	*	*				0	110.2	0	-73	-175.8	167.8	0	0	109.9
2	P	36.5	Very low	41.6	Very low	129 Å²	129	144.5 Å²	144.5	84%	0.838	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-90.2	136.4	174.7	28.7	-18.8	0	0	0	111.4
3	K	36.7	Very low	42	Very low	212 Å²	212	146.2 Å²	146.2	92%	0.922	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.1	127.9	-179.7	-77.3	179.6	175	175.7	0	111.6
4	V	39.4	Very low	42	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-71.9	119	-178.7	178.7	0	0	0	0	111.7	S6	V4-S6 WeakPolarHBondContact CG1-OG 3.47Å
5	K	44.2	Very low	42.7	Very low	214 Å²	214	142.2 Å²	142.2	93%	0.93	73%	0.728	S	S	*	*			trans	-92.9	83.9	163.8	-77.4	-178.9	177.1	174.9	0	109.4
6	S	42.3	Very low	43	Very low	86 Å²	86	141.4 Å²	141.4	60%	0.601	72%	0.72	S	S	*	*			trans	-120.5	-8.6	179.8	61.2	0	0	0	0	115.7	V4	V4-S6 WeakPolarHBondContact CG1-OG 3.47Å
7	G	40.4	Very low	43.1	Very low	57 Å²	57	139.6 Å²	139.6	59%	0.588	71%	0.709	S	S	*	*	H	α-helix	trans	-80.7	-21	-170.4	0	0	0	0	0	117.5
8	A	44.9	Very low	43.4	Very low	79 Å²	79	138.8 Å²	138.8	65%	0.653	70%	0.702	S	S	*	*	H	α-helix	trans	-88	-27.5	-170.6	0	0	0	0	0	114.3
9	I	44.1	Very low	43.7	Very low	121 Å²	121	141.5 Å²	141.5	62%	0.621	70%	0.703	S	S	*	*	H	α-helix	trans	-79.9	-37.2	-176	-63.5	171.5	0	0	0	110.7	R11 R12 R13	I9-R11 PolarHBondContact O-N 3.31Å; I9-R12 PolarHBondContact O-N 2.83Å; I9-R13 PolarHBondContact O-N 2.77Å
10	G	39.7	Very low	43.7	Very low	50 Å²	50	143.9 Å²	143.9	52%	0.515	70%	0.703	S	S	.	*	H	α-helix	trans	-64.3	-38.2	177.8	0	0	0	0	0	114.1	R12 R13 G14	G10-R12 PolarHBondContact O-N 3.33Å; G10-R13 PolarHBondContact O-N 3.47Å; G10-G14 PolarHBondContact O-N 3.21Å; G10-G14 VanDerWaalsContact O-N 3.08Å
11	R	47.4	Very low	43.5	Very low	210 Å²	210	143.5 Å²	143.5	79%	0.792	70%	0.7	S	S	*	*	H	α-helix	trans	-69.2	-28.7	178.5	-82	-177.3	173.6	179	-0.4	114	I9 R15	I9-R11 PolarHBondContact O-N 3.31Å; R11-R15 PolarHBondContact O-N 3.21Å
12	R	45.8	Very low	43.8	Very low	210 Å²	210	136.9 Å²	136.9	79%	0.792	67%	0.669	S	S	*	*	H	α-helix	trans	-77.2	-39.5	175.9	-87.7	-175.4	174.7	-177.3	-0.5	111.9	I9 G10 Q16	I9-R12 PolarHBondContact O-N 2.83Å; G10-R12 PolarHBondContact O-N 3.33Å; R12-Q16 PolarHBondContact O-N 2.96Å
13	R	46.3	Very low	44.1	Very low	167 Å²	167	137.7 Å²	137.7	63%	0.63	66%	0.659	S	S	*	*	H	α-helix	trans	-62.7	-47.5	173.9	-89.1	-177.5	169.6	175.4	-4	112	I9 G10 R15 Q16 E17	I9-R13 PolarHBondContact O-N 2.77Å; G10-R13 PolarHBondContact O-N 3.47Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-R15 PolarHBondContact O-N 3.42Å; R13-Q16 PolarHBondContact O-N 3.38Å; R13-E17 PolarHBondContact O-N 3.38Å
14	G	42.4	Very low	44.1	Very low	34 Å²	34	132.5 Å²	132.5	35%	0.351	65%	0.65	S	S	.	*	H	α-helix	trans	-60.7	-35.8	178.3	0	0	0	0	0	114.3	G10 Q18	G10-G14 PolarHBondContact O-N 3.21Å; G10-G14 VanDerWaalsContact O-N 3.08Å; G14-Q18 WeakPolarHBondContact O-CB 3.13Å; G14-Q18 PolarHBondContact O-N 3.18Å
15	R	52.3	Low	44	Very low	198 Å²	198	130.4 Å²	130.4	75%	0.747	65%	0.645	S	S	*	*	H	α-helix	trans	-71.8	-29.5	173.6	-82.8	-175.5	-178.9	-179.9	1.6	113.7	R11 R13 R19	R11-R15 PolarHBondContact O-N 3.21Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-R15 PolarHBondContact O-N 3.42Å; R15-R19 WeakPolarHBondContact O-CB 3.35Å; R15-R19 WeakPolarHBondContact O-CG 3.43Å; R15-R19 PolarHBondContact O-N 3.35Å
16	Q	47.3	Very low	44.1	Very low	129 Å²	129	123.9 Å²	123.9	60%	0.603	64%	0.639	S	S	*	*	H	α-helix	trans	-77.6	-37.5	175.6	-97	180	-21.7	0	0	111.7	R12 R13 R19 R20	R12-Q16 PolarHBondContact O-N 2.96Å; R13-Q16 PolarHBondContact O-N 3.38Å; Q16-R19 PolarHBondContact O-N 3.44Å; Q16-R20 WeakPolarHBondContact O-CB 3.44Å; Q16-R20 WeakPolarHBondContact O-CG 3.42Å; Q16-R20 PolarHBondContact O-N 2.85Å
17	E	43.9	Very low	45	Very low	112 Å²	112	122.2 Å²	122.2	52%	0.523	64%	0.635	S	S	.	*	H	α-helix	trans	-68.1	-45.5	174.2	-78.8	165.2	172.4	0	0	111.4	R13 R19 R20 E21	R13-E17 PolarHBondContact O-N 3.38Å; E17-R19 VanDerWaalsContact C-N 3.27Å; E17-R19 PolarHBondContact O-N 2.89Å; E17-R20 CarbonylContact O-C 3.53Å; E17-R20 WeakPolarHBondContact O-CA 3.47Å; E17-R20 WeakPolarHBondContact O-CB 3.21Å; E17-R20 PolarHBondContact O-N 3.5Å; E17-E21 PolarHBondContact O-N 3.45Å
18	Q	48.6	Very low	46.7	Very low	124 Å²	124	122 Å²	122	58%	0.579	62%	0.62	S	S	*	*	H	α-helix	trans	-62.9	-33	174.8	-159.6	173.6	37.4	0	0	112.5	G14 L22	G14-Q18 WeakPolarHBondContact O-CB 3.13Å; G14-Q18 PolarHBondContact O-N 3.18Å; Q18-L22 WeakPolarHBondContact O-CB 3.43Å; Q18-L22 WeakPolarHBondContact O-CD1 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.42Å; Q18-L22 PolarHBondContact O-N 3.17Å; Q18-L22 VanDerWaalsContact O-N 3.15Å
19	R	50.3	Low	48.4	Very low	191 Å²	191	123.4 Å²	123.4	72%	0.721	61%	0.614	S	S	*	*	H	α-helix	trans	-71.3	-26.6	170.4	-91	179.6	157.5	-170.2	-6.4	113.3	R15 Q16 E17 K23	R15-R19 WeakPolarHBondContact O-CB 3.35Å; R15-R19 WeakPolarHBondContact O-CG 3.43Å; R15-R19 PolarHBondContact O-N 3.35Å; Q16-R19 PolarHBondContact O-N 3.44Å; E17-R19 VanDerWaalsContact C-N 3.27Å; E17-R19 PolarHBondContact O-N 2.89Å; R19-K23 WeakPolarHBondContact O-CG 3.43Å; R19-K23 PolarHBondContact O-N 3.33Å
20	R	43.8	Very low	50.5	Low	189 Å²	189	120.1 Å²	120.1	71%	0.713	60%	0.596	S	S	*	*	H	α-helix	trans	-81.8	-38.3	176.5	-81.5	177.4	172.7	-176.9	-3.2	111.5	Q16 E17 K23 S24	Q16-R20 WeakPolarHBondContact O-CB 3.44Å; Q16-R20 WeakPolarHBondContact O-CG 3.42Å; Q16-R20 PolarHBondContact O-N 2.85Å; E17-R20 CarbonylContact O-C 3.53Å; E17-R20 WeakPolarHBondContact O-CA 3.47Å; E17-R20 WeakPolarHBondContact O-CB 3.21Å; E17-R20 PolarHBondContact O-N 3.5Å; R20-K23 WeakPolarHBondContact O-CB 3.28Å; R20-K23 PolarHBondContact O-N 2.95Å; R20-K23 VanDerWaalsContact O-N 3.08Å; R20-S24 PolarHBondContact O-N 3.19Å
21	E	39.3	Very low	52.5	Low	135 Å²	135	121.4 Å²	121.4	63%	0.631	59%	0.591	S	S	*	*	H	α-helix	trans	-65.2	-36.9	172.1	-74.3	179.9	158.8	0	0	112.2	E17 K23 S24	E17-E21 PolarHBondContact O-N 3.45Å; E21-K23 PolarHBondContact O-N 2.97Å; E21-S24 PolarHBondContact O-N 3.23Å; E21-S24 PolarHBondContact O-OG 3.01Å
22	L	43.9	Very low	54.1	Low	104 Å²	104	115.2 Å²	115.2	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-67.7	-22.4	171.8	-78.7	161.3	0	0	0	113.2	Q18	Q18-L22 WeakPolarHBondContact O-CB 3.43Å; Q18-L22 WeakPolarHBondContact O-CD1 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.42Å; Q18-L22 PolarHBondContact O-N 3.17Å; Q18-L22 VanDerWaalsContact O-N 3.15Å
23	K	44.1	Very low	55.5	Low	146 Å²	146	107.9 Å²	107.9	64%	0.635	57%	0.566	S	S	*	*	H	α-helix	trans	-81	-26.9	175.2	-83	-179.1	173.2	-167.7	0	112.9	R19 R20 E21 M29	R19-K23 WeakPolarHBondContact O-CG 3.43Å; R19-K23 PolarHBondContact O-N 3.33Å; R20-K23 WeakPolarHBondContact O-CB 3.28Å; R20-K23 PolarHBondContact O-N 2.95Å; R20-K23 VanDerWaalsContact O-N 3.08Å; E21-K23 PolarHBondContact O-N 2.97Å; K23-M29 HydrophobicContact CG-CE 4.35Å; K23-M29 HydrophobicContact CG-SD 4.5Å
24	S	36.2	Very low	57.1	Low	103 Å²	103	103.9 Å²	103.9	72%	0.72	56%	0.556	S	S	*	*	H	α-helix	trans	-82	-11.3	-179.8	58.8	0	0	0	0	113.8	R20 E21	R20-S24 PolarHBondContact O-N 3.19Å; E21-S24 PolarHBondContact O-N 3.23Å; E21-S24 PolarHBondContact O-OG 3.01Å
25	A	37.3	Very low	58.9	Low	80 Å²	80	102.8 Å²	102.8	66%	0.661	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	19.3	-176.9	0	0	0	0	0	115.5	G27	A25-G27 PolarHBondContact O-N 2.84Å
26	G	44.8	Very low	60.6	Low	77 Å²	77	94.3 Å²	94.3	79%	0.794	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	8.7	173.1	0	0	0	0	0	116.4
27	G	62.2	Low	62.8	Low	50 Å²	50	89.6 Å²	89.6	52%	0.515	49%	0.492	S	S	.	.			trans	-77.7	128.5	-177.3	0	0	0	0	0	112.7	A25 M29	A25-G27 PolarHBondContact O-N 2.84Å; G27-M29 PolarHBondContact O-N 3.49Å; G27-M29 VanDerWaalsContact O-N 3.12Å
28	L	76.9	Confident	65.1	Low	53 Å²	53	85 Å²	85	28%	0.277	47%	0.471	S	S	.	.			trans	-60.1	114.6	175.6	-151.1	153.3	0	0	0	109.7	F30 R89 L90 E93	L28-F30 HydrophobicContact CD2-CD1 4.48Å; L28-F30 HydrophobicContact CD2-CE1 4.27Å; L28-R89 HydrophobicContact CD1-CB 4.46Å; L28-L90 HydrophobicContact CD1-CD2 4.07Å; L28-L90 HydrophobicContact CD2-CD2 3.72Å; L28-L90 HydrophobicContact CD2-CG 4.48Å; L28-E93 HydrophobicContact CD1-CB 4.11Å; L28-E93 HydrophobicContact CD1-CG 4.38Å
29	M	80.8	Confident	67.3	Low	109 Å²	109	79.5 Å²	79.5	54%	0.537	45%	0.445	S	S	.	.			trans	-77.6	124.7	178.8	-74	-152.8	-65	0	0	110.9	K23 G27 R89	K23-M29 HydrophobicContact CG-CE 4.35Å; K23-M29 HydrophobicContact CG-SD 4.5Å; G27-M29 PolarHBondContact O-N 3.49Å; G27-M29 VanDerWaalsContact O-N 3.12Å; M29-R89 PolarHBondContact O-NH1 3.18Å; M29-R89 PolarHBondContact O-NH2 2.94Å
30	F	86.5	Confident	69.4	Low	51 Å²	51	75.8 Å²	75.8	22%	0.224	43%	0.434	C	S	.	.			trans	-86.1	135.6	176	-56.8	-62.3	0	0	0	111.6	L28 T32 Q36 I38 T67 L90	L28-F30 HydrophobicContact CD2-CD1 4.48Å; L28-F30 HydrophobicContact CD2-CE1 4.27Å; F30-T32 PolarHBondContact O-N 2.86Å; F30-Q36 HydrophobicContact CB-CB 4.13Å; F30-I38 HydrophobicContact CD1-CD1 4.07Å; F30-I38 HydrophobicContact CD1-CG1 3.81Å; F30-I38 HydrophobicContact CD2-CG1 4.25Å; F30-I38 HydrophobicContact CE1-CD1 3.84Å; F30-I38 HydrophobicContact CE1-CG1 3.47Å; F30-I38 VanDerWaalsContact CE1-CG1 3.47Å; F30-I38 HydrophobicContact CE2-CG1 3.95Å; F30-I38 HydrophobicContact CG-CG1 4.2Å; F30-I38 HydrophobicContact CZ-CD1 4.4Å; F30-I38 HydrophobicContact CZ-CG1 3.56Å; F30-T67 HydrophobicContact CE1-CG2 3.98Å; F30-T67 HydrophobicContact CZ-CG2 3.69Å; F30-L90 HydrophobicContact CE1-CD2 4.07Å
31	N	83	Confident	71.9	Confident	77 Å²	77	68.9 Å²	68.9	41%	0.412	41%	0.411	S	S	.	.			trans	-92.6	99.7	177.9	-175.8	-6.2	0	0	0	110.8	G33 I34 Q36	N31-G33 PolarHBondContact O-N 3.49Å; N31-G33 WeakPolarHBondContact OD1-CA 3.4Å; N31-G33 PolarHBondContact OD1-N 3.13Å; N31-I34 HydrophobicContact CB-CD1 3.99Å; N31-I34 HydrophobicContact CB-CG1 3.77Å; N31-I34 WeakPolarHBondContact O-CG1 3.38Å; N31-I34 PolarHBondContact O-N 3.26Å; N31-Q36 WeakPolarHBondContact O-CB 3.39Å; N31-Q36 PolarHBondContact O-N 3.46Å
32	T	80.6	Confident	74.6	Confident	81 Å²	81	65.9 Å²	65.9	50%	0.497	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-64.9	-22.5	176.5	53.4	0	0	0	0	113.7	F30 I34 G35 P198	F30-T32 PolarHBondContact O-N 2.86Å; T32-I34 VanDerWaalsContact C-N 3.28Å; T32-I34 PolarHBondContact O-N 3.41Å; T32-G35 PolarHBondContact O-N 3.27Å; T32-P198 HydrophobicContact CG2-CB 4.08Å; T32-P198 HydrophobicContact CG2-CG 3.23Å
33	G	75.6	Confident	77.2	Confident	55 Å²	55	67.1 Å²	67.1	57%	0.567	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-65.8	-32.9	179.3	0	0	0	0	0	112.6	N31	N31-G33 PolarHBondContact O-N 3.49Å; N31-G33 WeakPolarHBondContact OD1-CA 3.4Å; N31-G33 PolarHBondContact OD1-N 3.13Å
34	I	79.9	Confident	79.7	Confident	84 Å²	84	61.1 Å²	61.1	43%	0.431	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-98.5	10.2	176.4	65.6	174.1	0	0	0	112.7	N31 T32 Q36 P130	N31-I34 HydrophobicContact CB-CD1 3.99Å; N31-I34 HydrophobicContact CB-CG1 3.77Å; N31-I34 WeakPolarHBondContact O-CG1 3.38Å; N31-I34 PolarHBondContact O-N 3.26Å; T32-I34 VanDerWaalsContact C-N 3.28Å; T32-I34 PolarHBondContact O-N 3.41Å; I34-Q36 HydrophobicContact CD1-CG 4.21Å; I34-Q36 HydrophobicContact CG1-CG 4.11Å; I34-P130 WeakPolarHBondContact O-CG 3.21Å
35	G	80.6	Confident	82.7	Confident	11 Å²	11	56.4 Å²	56.4	11%	0.113	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	20.6	174.2	0	0	0	0	0	116.1	T32 H37	T32-G35 PolarHBondContact O-N 3.27Å; G35-H37 PolarHBondContact O-CD2 2.93Å; G35-H37 PolarHBondContact O-N 3.37Å
36	Q	88.1	Confident	85.5	Confident	19 Å²	19	55.9 Å²	55.9	9%	0.089	34%	0.337	C	S	.	.			trans	-71.1	90.9	174.8	-73.4	179	-19.1	0	0	111.4	F30 N31 I34 D87	F30-Q36 HydrophobicContact CB-CB 4.13Å; N31-Q36 WeakPolarHBondContact O-CB 3.39Å; N31-Q36 PolarHBondContact O-N 3.46Å; I34-Q36 HydrophobicContact CD1-CG 4.21Å; I34-Q36 HydrophobicContact CG1-CG 4.11Å; Q36-D87 PolarHBondContact NE2-OD2 3.03Å
37	H	91.9	Very high	88.1	Confident	30 Å²	30	54 Å²	54	14%	0.139	31%	0.312	C	S	.	.			trans	-117.8	104.5	175	-63.6	-71.6	0	0	0	109.7	G35 L39 N128 F196 P198	G35-H37 PolarHBondContact O-CD2 2.93Å; G35-H37 PolarHBondContact O-N 3.37Å; H37-L39 PolarHBondContact O-N 2.99Å; H37-N128 PolarHBondContact O-ND2 3.3Å; H37-F196 HydrophobicContact CB-CB 4.34Å; H37-F196 HydrophobicContact CB-CD1 4.04Å; H37-F196 HydrophobicContact CB-CG 4.45Å; H37-P198 PolarHBondContact ND1-O 2.85Å
38	I	93	Very high	89.8	Confident	17 Å²	17	51.9 Å²	51.9	9%	0.087	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.4	-174	-51.1	-53.4	0	0	0	110.3	F30 K40 T67 F196 R197	F30-I38 HydrophobicContact CD1-CD1 4.07Å; F30-I38 HydrophobicContact CD1-CG1 3.81Å; F30-I38 HydrophobicContact CD2-CG1 4.25Å; F30-I38 HydrophobicContact CE1-CD1 3.84Å; F30-I38 HydrophobicContact CE1-CG1 3.47Å; F30-I38 VanDerWaalsContact CE1-CG1 3.47Å; F30-I38 HydrophobicContact CE2-CG1 3.95Å; F30-I38 HydrophobicContact CG-CG1 4.2Å; F30-I38 HydrophobicContact CZ-CD1 4.4Å; F30-I38 HydrophobicContact CZ-CG1 3.56Å; I38-K40 PolarHBondContact O-N 3.35Å; I38-T67 HydrophobicContact CG1-CG2 4.42Å; I38-T67 HydrophobicContact CG2-CG2 4.26Å; I38-F196 CarbonylContact O-C 3.54Å; I38-F196 WeakPolarHBondContact O-CA 3.26Å; I38-R197 WeakPolarHBondContact CB-O 3.11Å; I38-R197 PolarHBondContact N-O 3.08Å; I38-R197 PolarHBondContact O-N 3.07Å
39	L	94.9	Very high	90.8	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	120	171	-176.6	66.4	0	0	0	109.4	H37 I44 I45 I48 N69 M70 M154 V191 N195 F196	H37-L39 PolarHBondContact O-N 2.99Å; L39-I44 HydrophobicContact CD1-CG2 4.22Å; L39-I44 HydrophobicContact CD2-CG2 4.16Å; L39-I45 HydrophobicContact CD2-CG1 3.64Å; L39-I45 HydrophobicContact CG-CD1 4.45Å; L39-I45 HydrophobicContact CG-CG1 4.02Å; L39-I48 HydrophobicContact CD2-CD1 3.9Å; L39-N69 PolarHBondContact O-ND2 3.37Å; L39-M70 HydrophobicContact CD2-CE 4.05Å; L39-M154 HydrophobicContact CB-CE 4.3Å; L39-M154 HydrophobicContact CD1-CE 4.34Å; L39-M154 HydrophobicContact CD2-CE 4.05Å; L39-M154 HydrophobicContact CG-CE 4.46Å; L39-V191 HydrophobicContact CD1-CG1 4.36Å; L39-N195 HydrophobicContact CD1-CB 4.18Å; L39-F196 HydrophobicContact CB-CD1 4.35Å; L39-F196 HydrophobicContact CB-CE1 4.27Å; L39-F196 HydrophobicContact CD1-CD1 4.45Å; L39-F196 HydrophobicContact CD1-CE1 4.15Å; L39-F196 HydrophobicContact CD1-CZ 4.32Å
40	K	93.9	Very high	91.6	Very high	113 Å²	113	49.4 Å²	49.4	49%	0.491	28%	0.278	S	S	.	.			trans	-113.9	-14	-175.4	58.8	165	178.1	-170.8	0	114.4	I38 P42 N194 N195 F196 R197	I38-K40 PolarHBondContact O-N 3.35Å; K40-P42 VanDerWaalsContact O-CD 3.29Å; K40-P42 WeakPolarHBondContact O-CD 3.37Å; K40-N194 WeakPolarHBondContact CE-O 3.41Å; K40-N194 PolarHBondContact NZ-O 3.04Å; K40-N195 WeakPolarHBondContact CG-O 3.04Å; K40-N195 PolarHBondContact N-O 3.48Å; K40-F196 WeakPolarHBondContact CE-O 3.26Å; K40-R197 HydrophobicContact CD-CB 4.16Å
41	N	96.7	Very high	92.1	Very high	43 Å²	43	51 Å²	51	23%	0.23	29%	0.285	C	S	.	.			trans	-78.9	114	-177.9	-174.2	-30.1	0	0	0	110.6	L43 I44 I45 N195	N41-L43 VanDerWaalsContact C-N 3.31Å; N41-L43 PolarHBondContact O-N 3.43Å; N41-L43 WeakPolarHBondContact OD1-CB 3.32Å; N41-L43 PolarHBondContact OD1-N 3.27Å; N41-I44 HydrophobicContact CB-CB 4.3Å; N41-I44 HydrophobicContact CB-CD1 4.02Å; N41-I44 HydrophobicContact CB-CG1 4.05Å; N41-I44 PolarHBondContact O-N 3.28Å; N41-I45 WeakPolarHBondContact O-CG1 3.3Å; N41-I45 PolarHBondContact O-N 3.33Å; N41-N195 HydrophobicContact CB-CB 3.99Å; N41-N195 WeakPolarHBondContact CB-OD1 3.37Å; N41-N195 PolarHBondContact ND2-OD1 3.16Å
42	P	96	Very high	92.8	Very high	73 Å²	73	47.4 Å²	47.4	47%	0.474	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-29.3	-176.8	27.5	-34.9	0	0	0	113.3	K40 I45 N46	K40-P42 VanDerWaalsContact O-CD 3.29Å; K40-P42 WeakPolarHBondContact O-CD 3.37Å; P42-I45 PolarHBondContact O-N 3.47Å; P42-N46 WeakPolarHBondContact O-CB 3.45Å; P42-N46 PolarHBondContact O-N 3.18Å; P42-N46 PolarHBondContact O-ND2 3.38Å; P42-N46 PolarHBondContact O-OD1 2.86Å
43	L	97.8	Very high	93.6	Very high	129 Å²	129	46.1 Å²	46.1	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-68.4	-39.3	178.9	-60.4	176.4	0	0	0	111.3	N41 N46 S47	N41-L43 VanDerWaalsContact C-N 3.31Å; N41-L43 PolarHBondContact O-N 3.43Å; N41-L43 WeakPolarHBondContact OD1-CB 3.32Å; N41-L43 PolarHBondContact OD1-N 3.27Å; L43-N46 PolarHBondContact O-N 2.96Å; L43-S47 WeakPolarHBondContact O-CB 3.46Å; L43-S47 PolarHBondContact O-N 3.41Å
44	I	97.8	Very high	94.7	Very high	20 Å²	20	45 Å²	45	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-42.2	176.2	-60.4	-176.5	0	0	0	110.3	L39 N41 N46 S47 I48 M189 V191 N195	L39-I44 HydrophobicContact CD1-CG2 4.22Å; L39-I44 HydrophobicContact CD2-CG2 4.16Å; N41-I44 HydrophobicContact CB-CB 4.3Å; N41-I44 HydrophobicContact CB-CD1 4.02Å; N41-I44 HydrophobicContact CB-CG1 4.05Å; N41-I44 PolarHBondContact O-N 3.28Å; I44-N46 PolarHBondContact O-N 3.3Å; I44-S47 PolarHBondContact O-N 3.3Å; I44-I48 HydrophobicContact CG2-CD1 4.07Å; I44-I48 WeakPolarHBondContact O-CG1 3.36Å; I44-I48 PolarHBondContact O-N 3.08Å; I44-M189 HydrophobicContact CG2-SD 4.34Å; I44-V191 HydrophobicContact CD1-CG1 3.81Å; I44-V191 HydrophobicContact CD1-CG2 4.32Å; I44-V191 HydrophobicContact CG2-CG1 4.47Å; I44-V191 HydrophobicContact CG2-CG2 3.9Å; I44-N195 HydrophobicContact CD1-CB 3.79Å; I44-N195 WeakPolarHBondContact CD1-OD1 3.33Å
45	I	97.6	Very high	95.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-47.9	175.1	-66.8	165.5	0	0	0	110.4	L39 N41 P42 S47 I48 I49 N69 M70 K73	L39-I45 HydrophobicContact CD2-CG1 3.64Å; L39-I45 HydrophobicContact CG-CD1 4.45Å; L39-I45 HydrophobicContact CG-CG1 4.02Å; N41-I45 WeakPolarHBondContact O-CG1 3.3Å; N41-I45 PolarHBondContact O-N 3.33Å; P42-I45 PolarHBondContact O-N 3.47Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.47Å; I45-I48 PolarHBondContact O-N 2.7Å; I45-I49 HydrophobicContact CG2-CD1 3.89Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 3.04Å; I45-N69 HydrophobicContact CD1-CB 3.69Å; I45-M70 HydrophobicContact CG1-CE 4.25Å; I45-M70 HydrophobicContact CG2-CB 4.03Å; I45-M70 HydrophobicContact CG2-CE 4.32Å; I45-M70 HydrophobicContact CG2-CG 4.05Å; I45-K73 HydrophobicContact CG2-CD 3.67Å
46	N	97.6	Very high	96.5	Very high	69 Å²	69	52.3 Å²	52.3	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-41.9	176.8	-71.9	-13.4	0	0	0	111.6	P42 L43 I44 I49 D50 K73	P42-N46 WeakPolarHBondContact O-CB 3.45Å; P42-N46 PolarHBondContact O-N 3.18Å; P42-N46 PolarHBondContact O-ND2 3.38Å; P42-N46 PolarHBondContact O-OD1 2.86Å; L43-N46 PolarHBondContact O-N 2.96Å; I44-N46 PolarHBondContact O-N 3.3Å; N46-I49 PolarHBondContact O-N 3.3Å; N46-D50 WeakPolarHBondContact O-CB 3.21Å; N46-D50 PolarHBondContact O-N 2.87Å; N46-K73 VanDerWaalsContact OD1-CE 3.3Å; N46-K73 WeakPolarHBondContact OD1-CE 3.35Å; N46-K73 PolarHBondContact OD1-NZ 3.44Å
47	S	98.1	Very high	97	Very high	38 Å²	38	56.5 Å²	56.5	27%	0.266	30%	0.304	S	S	.	.	H	α-helix	trans	-66.5	-39.5	178.3	-164.8	0	0	0	0	112.6	L43 I44 I45 I49 D50 K51 M189	L43-S47 WeakPolarHBondContact O-CB 3.46Å; L43-S47 PolarHBondContact O-N 3.41Å; I44-S47 PolarHBondContact O-N 3.3Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.47Å; S47-I49 VanDerWaalsContact C-N 3.34Å; S47-I49 PolarHBondContact O-N 3.13Å; S47-D50 PolarHBondContact O-N 3.33Å; S47-K51 WeakPolarHBondContact O-CB 3.34Å; S47-K51 VanDerWaalsContact O-CG 3.23Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 3.47Å; S47-M189 WeakPolarHBondContact OG-CE 3.4Å
48	I	98	Very high	97.3	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-47.1	173.1	-73.7	168.4	0	0	0	110.7	L39 I44 I45 K51 A52 M70 V126 I152 V206	L39-I48 HydrophobicContact CD2-CD1 3.9Å; I44-I48 HydrophobicContact CG2-CD1 4.07Å; I44-I48 WeakPolarHBondContact O-CG1 3.36Å; I44-I48 PolarHBondContact O-N 3.08Å; I45-I48 PolarHBondContact O-N 2.7Å; I48-K51 PolarHBondContact O-N 3.49Å; I48-A52 PolarHBondContact O-N 3.44Å; I48-M70 HydrophobicContact CB-CE 4.23Å; I48-M70 HydrophobicContact CD1-CE 3.74Å; I48-M70 HydrophobicContact CG2-CE 3.85Å; I48-M70 HydrophobicContact CG2-SD 4.02Å; I48-V126 HydrophobicContact CG2-CG1 3.52Å; I48-I152 HydrophobicContact CB-CG2 4.5Å; I48-I152 HydrophobicContact CG2-CB 4.48Å; I48-I152 HydrophobicContact CG2-CG2 3.84Å; I48-V206 HydrophobicContact CD1-CG2 4.05Å; I48-V206 HydrophobicContact CG1-CG1 4.2Å; I48-V206 HydrophobicContact CG1-CG2 3.96Å
49	I	97.5	Very high	97.6	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-40.4	-179.3	-66.7	173.3	0	0	0	111.4	I45 N46 S47 A52 L54 M70 K73 L74 K77	I45-I49 HydrophobicContact CG2-CD1 3.89Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 3.04Å; N46-I49 PolarHBondContact O-N 3.3Å; S47-I49 VanDerWaalsContact C-N 3.34Å; S47-I49 PolarHBondContact O-N 3.13Å; I49-A52 WeakPolarHBondContact O-CB 3.21Å; I49-A52 PolarHBondContact O-N 3.16Å; I49-L54 HydrophobicContact CG2-CD1 4.07Å; I49-M70 HydrophobicContact CD1-CG 4.23Å; I49-M70 HydrophobicContact CG1-CG 4.31Å; I49-K73 HydrophobicContact CD1-CB 3.3Å; I49-K73 HydrophobicContact CD1-CD 3.88Å; I49-K73 HydrophobicContact CD1-CG 4.24Å; I49-L74 HydrophobicContact CD1-CD2 4.37Å; I49-L74 HydrophobicContact CG1-CD2 3.98Å; I49-K77 HydrophobicContact CG2-CD 3.68Å
50	D	97.9	Very high	97.7	Very high	106 Å²	106	55.2 Å²	55.2	57%	0.567	30%	0.299	S	S	*	.	H	α-helix	trans	-60.4	-48.5	174.6	-179.2	64	0	0	0	111.3	N46 S47 A52 A53	N46-D50 WeakPolarHBondContact O-CB 3.21Å; N46-D50 PolarHBondContact O-N 2.87Å; S47-D50 PolarHBondContact O-N 3.33Å; D50-A52 PolarHBondContact O-N 3.22Å; D50-A53 PolarHBondContact O-N 2.96Å
51	K	98.1	Very high	98	Very high	86 Å²	86	49.9 Å²	49.9	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-21.8	178.6	-64.2	-62.1	179.2	-168.4	0	114	S47 I48 A53 I152 L188 M189 R208	S47-K51 WeakPolarHBondContact O-CB 3.34Å; S47-K51 VanDerWaalsContact O-CG 3.23Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 3.47Å; I48-K51 PolarHBondContact O-N 3.49Å; K51-A53 PolarHBondContact O-N 2.88Å; K51-I152 HydrophobicContact CB-CD1 4.44Å; K51-L188 HydrophobicContact CB-CD1 3.82Å; K51-L188 HydrophobicContact CG-CD1 4.13Å; K51-M189 HydrophobicContact CG-CE 4.38Å; K51-R208 PolarHBondContact O-NH1 3.23Å; K51-R208 VanDerWaalsContact O-NH1 3.08Å
52	A	97.5	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.9	172.6	0	0	0	0	0	113.2	I48 I49 D50 L54 V126 R149 I152	I48-A52 PolarHBondContact O-N 3.44Å; I49-A52 WeakPolarHBondContact O-CB 3.21Å; I49-A52 PolarHBondContact O-N 3.16Å; D50-A52 PolarHBondContact O-N 3.22Å; A52-L54 HydrophobicContact CB-CD2 3.78Å; A52-L54 HydrophobicContact CB-CG 4.06Å; A52-L54 PolarHBondContact O-N 3.12Å; A52-V126 HydrophobicContact CB-CG2 4.45Å; A52-R149 PolarHBondContact O-NH2 2.69Å; A52-R149 VanDerWaalsContact O-NH2 3.12Å; A52-I152 HydrophobicContact CB-CG1 3.81Å
53	A	98	Very high	98.1	Very high	54 Å²	54	44.7 Å²	44.7	45%	0.446	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	46.4	177.7	0	0	0	0	0	112.5	D50 K51 R149	D50-A53 PolarHBondContact O-N 2.96Å; K51-A53 PolarHBondContact O-N 2.88Å; A53-R149 PolarHBondContact O-NH2 2.71Å
54	L	98.3	Very high	98	Very high	31 Å²	31	39.5 Å²	39.5	16%	0.162	22%	0.222	C	C	.	.			trans	-58.7	138.2	-173.5	-59.5	-179	0	0	0	111.8	I49 A52 V60 L74 K77 T124	I49-L54 HydrophobicContact CG2-CD1 4.07Å; A52-L54 HydrophobicContact CB-CD2 3.78Å; A52-L54 HydrophobicContact CB-CG 4.06Å; A52-L54 PolarHBondContact O-N 3.12Å; L54-V60 HydrophobicContact CD1-CG2 4.46Å; L54-V60 HydrophobicContact CD2-CG2 3.8Å; L54-L74 HydrophobicContact CD1-CD2 3.63Å; L54-K77 HydrophobicContact CD1-CB 4.05Å; L54-K77 HydrophobicContact CD1-CD 4.48Å; L54-T124 HydrophobicContact CD2-CG2 4.35Å; L54-T124 WeakPolarHBondContact CD2-OG1 3.33Å
55	R	98.6	Very high	97.9	Very high	142 Å²	142	39 Å²	39	54%	0.536	22%	0.22	S	C	.	.			trans	-100.4	150.8	170.2	-55.3	171.6	178	168.5	-4	109.7	T57 D58	R55-T57 PolarHBondContact O-N 3.47Å; R55-D58 WeakPolarHBondContact CB-OD1 3.3Å; R55-D58 PolarHBondContact N-OD2 3.49Å; R55-D58 WeakPolarHBondContact O-CB 3.35Å; R55-D58 PolarHBondContact O-N 2.62Å
56	P	98.3	Very high	97.7	Very high	107 Å²	107	39 Å²	39	70%	0.695	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.3	178.1	-25.2	34.9	0	0	0	114.5	K79	P56-K79 WeakPolarHBondContact O-CB 3.46Å; P56-K79 PolarHBondContact O-N 2.97Å
57	T	98.6	Very high	97.6	Very high	107 Å²	107	37.1 Å²	37.1	66%	0.656	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-11.1	178.3	53.2	0	0	0	0	113.6	R55	R55-T57 PolarHBondContact O-N 3.47Å
58	D	98.8	Very high	97.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.2	C	C	.	.			trans	-66.4	140.6	-172.1	-74.1	-10.5	0	0	0	111.2	R55 K79 K80 D123 R149	R55-D58 WeakPolarHBondContact CB-OD1 3.3Å; R55-D58 PolarHBondContact N-OD2 3.49Å; R55-D58 WeakPolarHBondContact O-CB 3.35Å; R55-D58 PolarHBondContact O-N 2.62Å; D58-K79 WeakPolarHBondContact O-CB 3.19Å; D58-K79 PolarHBondContact O-N 2.85Å; D58-K80 PolarHBondContact O-N 3.3Å; D58-D123 WeakPolarHBondContact CA-OD2 3.24Å; D58-D123 HydrophobicContact CB-CB 3.92Å; D58-R149 IonicContact OD1-NH1 2.71Å; D58-R149 PolarHBondContact OD1-NH1 2.88Å; D58-R149 IonicContact OD2-CZ 2.68Å; D58-R149 VanDerWaalsContact OD2-CZ 3.31Å; D58-R149 IonicContact OD2-NH1 3.35Å; D58-R149 PolarHBondContact OD2-NH1 3.05Å; D58-R149 IonicContact OD2-NH2 3.14Å; D58-R149 PolarHBondContact OD2-NH2 2.9Å
59	V	98.9	Very high	97.4	Very high	28 Å²	28	37 Å²	37	17%	0.17	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.2	157.5	-179.1	0	0	0	0	108.2	K80 V82 F122 D123 T124	V59-K80 WeakPolarHBondContact CA-O 3.47Å; V59-K80 HydrophobicContact CG1-CB 4.38Å; V59-K80 HydrophobicContact CG2-CB 4.29Å; V59-V82 HydrophobicContact CG1-CG2 4.14Å; V59-F122 HydrophobicContact CG1-CB 4.4Å; V59-D123 PolarHBondContact N-OD2 2.85Å; V59-D123 PolarHBondContact O-N 2.89Å; V59-T124 PolarHBondContact O-N 3.43Å
60	V	98.9	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.6	-179.6	-175.4	0	0	0	0	110.2	L54 L74 A78 K80 V81 V82 T124 V126	L54-V60 HydrophobicContact CD1-CG2 4.46Å; L54-V60 HydrophobicContact CD2-CG2 3.8Å; V60-L74 HydrophobicContact CG1-CD1 4.08Å; V60-L74 HydrophobicContact CG1-CD2 4.27Å; V60-A78 HydrophobicContact CG2-CB 3.55Å; V60-K80 PolarHBondContact N-O 3.06Å; V60-V81 HydrophobicContact CB-CG2 4.38Å; V60-V81 CarbonylContact O-C 3.46Å; V60-V81 WeakPolarHBondContact O-CA 3.33Å; V60-V82 PolarHBondContact O-N 3.32Å; V60-T124 CarbonylContact C-O 3.6Å; V60-T124 WeakPolarHBondContact CA-O 3.16Å; V60-V126 HydrophobicContact CG1-CG2 4.37Å
61	L	98.8	Very high	97.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.1	166.5	-178.8	70.3	0	0	0	109.6	V63 V82 L119 F122 T124 C125 V126	L61-V63 HydrophobicContact CD2-CG2 4.05Å; L61-V63 HydrophobicContact CG-CG2 3.92Å; L61-V82 CarbonylContact C-O 3.48Å; L61-V82 WeakPolarHBondContact CA-O 3.43Å; L61-V82 HydrophobicContact CD1-CB 4.27Å; L61-V82 HydrophobicContact CD1-CG1 4.17Å; L61-L119 HydrophobicContact CD2-CD1 4.15Å; L61-L119 HydrophobicContact CD2-CD2 4.13Å; L61-F122 HydrophobicContact CB-CB 3.83Å; L61-F122 HydrophobicContact CB-CD1 3.81Å; L61-F122 HydrophobicContact CB-CD2 3.96Å; L61-F122 HydrophobicContact CB-CE1 4.41Å; L61-F122 HydrophobicContact CB-CG 3.58Å; L61-F122 HydrophobicContact CD2-CD1 3.72Å; L61-F122 HydrophobicContact CD2-CE1 3.54Å; L61-F122 HydrophobicContact CD2-CE2 4.36Å; L61-F122 HydrophobicContact CD2-CG 4.26Å; L61-F122 HydrophobicContact CD2-CZ 3.89Å; L61-F122 HydrophobicContact CG-CD1 4.3Å; L61-T124 PolarHBondContact N-O 3.41Å; L61-C125 HydrophobicContact CB-CB 4.36Å; L61-C125 CarbonylContact O-C 3.55Å; L61-C125 VanDerWaalsContact O-CA 3.24Å; L61-C125 WeakPolarHBondContact O-CA 3.43Å; L61-V126 PolarHBondContact O-N 3.48Å
62	E	98.6	Very high	97.3	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.028	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	171.3	-174.6	179.4	-162.6	0	0	110	P65 M70 T71 L74 V81 V82 A83 C84 V126	E62-P65 HydrophobicContact CG-CB 4.28Å; E62-M70 WeakPolarHBondContact OE1-CB 3.35Å; E62-T71 VanDerWaalsContact CD-OG1 3.23Å; E62-T71 PolarHBondContact OE1-N 2.7Å; E62-T71 PolarHBondContact OE1-OG1 3.22Å; E62-T71 VanDerWaalsContact OE2-CA 3.22Å; E62-T71 WeakPolarHBondContact OE2-CA 3.23Å; E62-T71 WeakPolarHBondContact OE2-CB 3.41Å; E62-T71 WeakPolarHBondContact OE2-CG2 3.48Å; E62-T71 PolarHBondContact OE2-OG1 2.79Å; E62-L74 HydrophobicContact CB-CD1 4.12Å; E62-L74 HydrophobicContact CG-CD1 4.2Å; E62-V81 HydrophobicContact CB-CG1 4.21Å; E62-V82 PolarHBondContact N-O 3.47Å; E62-A83 CarbonylContact O-C 3.51Å; E62-A83 VanDerWaalsContact O-CA 3.27Å; E62-A83 WeakPolarHBondContact O-CA 3.42Å; E62-C84 PolarHBondContact O-N 3.49Å; E62-V126 CarbonylContact C-O 3.55Å; E62-V126 VanDerWaalsContact CA-O 3.28Å; E62-V126 WeakPolarHBondContact CA-O 3.49Å
63	V	97.6	Very high	97.4	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.6	178.3	-164.6	0	0	0	0	110.8	L61 C84 V114 V126 A127 N128 L129 F137	L61-V63 HydrophobicContact CD2-CG2 4.05Å; L61-V63 HydrophobicContact CG-CG2 3.92Å; V63-C84 HydrophobicContact CG1-CB 4.15Å; V63-C84 HydrophobicContact CG2-CB 4.47Å; V63-V114 HydrophobicContact CG1-CB 3.83Å; V63-V114 HydrophobicContact CG1-CG1 3.81Å; V63-V114 HydrophobicContact CG1-CG2 3.65Å; V63-V114 HydrophobicContact CG2-CG2 4.13Å; V63-V126 PolarHBondContact N-O 3.09Å; V63-A127 HydrophobicContact CB-CB 4.01Å; V63-A127 WeakPolarHBondContact O-CA 3.28Å; V63-N128 PolarHBondContact O-N 3.21Å; V63-N128 VanDerWaalsContact O-N 3.15Å; V63-L129 HydrophobicContact CB-CD1 4.44Å; V63-L129 HydrophobicContact CB-CD2 4.11Å; V63-L129 HydrophobicContact CB-CG 4.31Å; V63-L129 HydrophobicContact CG1-CD1 4.02Å; V63-L129 HydrophobicContact CG1-CD2 3.31Å; V63-L129 HydrophobicContact CG1-CG 3.94Å; V63-F137 HydrophobicContact CB-CE2 4.49Å; V63-F137 HydrophobicContact CB-CZ 4.14Å; V63-F137 HydrophobicContact CG1-CE2 4.31Å; V63-F137 HydrophobicContact CG1-CZ 4.41Å; V63-F137 HydrophobicContact CG2-CE2 3.94Å; V63-F137 HydrophobicContact CG2-CZ 3.59Å
64	G	95.1	Very high	97.4	Very high	20 Å²	20	30.4 Å²	30.4	21%	0.206	17%	0.168	C	C	.	.			trans	72.3	61.2	-171.2	0	0	0	0	0	112.1	G66 C84	G64-G66 PolarHBondContact O-N 2.98Å; G64-C84 PolarHBondContact N-O 2.85Å
65	P	96.1	Very high	97.4	Very high	9 Å²	9	29 Å²	29	6%	0.058	16%	0.161	C	C	.	.			trans	-61.6	-21.1	179.3	29.7	-39.2	0	0	0	113	E62 T67 G68 T71 A83 C84 E85 L94	E62-P65 HydrophobicContact CG-CB 4.28Å; P65-T67 PolarHBondContact O-N 3.35Å; P65-G68 PolarHBondContact O-N 2.96Å; P65-T71 WeakPolarHBondContact CB-OG1 3.48Å; P65-A83 HydrophobicContact CB-CB 4.24Å; P65-A83 HydrophobicContact CG-CB 4.07Å; P65-C84 VanDerWaalsContact CD-O 3.24Å; P65-C84 WeakPolarHBondContact CD-O 3.37Å; P65-E85 WeakPolarHBondContact CD-OE2 3.38Å; P65-E85 HydrophobicContact CG-CB 3.83Å; P65-E85 HydrophobicContact CG-CG 4.3Å; P65-L94 HydrophobicContact CB-CD2 3.9Å; P65-L94 HydrophobicContact CG-CD2 3.89Å
66	G	93.6	Very high	97.4	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-125.4	179.2	0	0	0	0	0	110.8	G64 G68 E85	G64-G66 PolarHBondContact O-N 2.98Å; G66-G68 VanDerWaalsContact C-N 3.26Å; G66-G68 PolarHBondContact O-N 3.45Å; G66-E85 PolarHBondContact N-OE2 3.41Å
67	T	93.7	Very high	97.4	Very high	29 Å²	29	28.8 Å²	28.8	18%	0.178	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.4	175.7	60.2	0	0	0	0	113.7	F30 I38 P65 N69 R97	F30-T67 HydrophobicContact CE1-CG2 3.98Å; F30-T67 HydrophobicContact CZ-CG2 3.69Å; I38-T67 HydrophobicContact CG1-CG2 4.42Å; I38-T67 HydrophobicContact CG2-CG2 4.26Å; P65-T67 PolarHBondContact O-N 3.35Å; T67-N69 PolarHBondContact OG1-OD1 3.04Å; T67-R97 WeakPolarHBondContact O-CD 3.37Å; T67-R97 PolarHBondContact O-NH1 3Å
68	G	96.3	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	87.7	16.3	178.7	0	0	0	0	0	116	P65 G66 M70 T71 V72 L94	P65-G68 PolarHBondContact O-N 2.96Å; G66-G68 VanDerWaalsContact C-N 3.26Å; G66-G68 PolarHBondContact O-N 3.45Å; G68-M70 PolarHBondContact O-N 3.24Å; G68-T71 WeakPolarHBondContact CA-OG1 3.5Å; G68-T71 PolarHBondContact O-N 3.47Å; G68-V72 PolarHBondContact O-N 3.29Å; G68-L94 VanDerWaalsContact CA-CD1 3.5Å
69	N	95.8	Very high	97.4	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.219	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.4	-179.5	-68.5	-22.3	0	0	0	112.8	L39 I45 T67 R97	L39-N69 PolarHBondContact O-ND2 3.37Å; I45-N69 HydrophobicContact CD1-CB 3.69Å; T67-N69 PolarHBondContact OG1-OD1 3.04Å; N69-R97 PolarHBondContact OD1-NH1 2.93Å; N69-R97 PolarHBondContact OD1-NH2 3.41Å
70	M	96.6	Very high	97.4	Very high	17 Å²	17	32.9 Å²	32.9	8%	0.084	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-41.4	178	-172.5	177.5	-63	0	0	110.8	L39 I45 I48 I49 E62 G68 V72 K73 L74 V126	L39-M70 HydrophobicContact CD2-CE 4.05Å; I45-M70 HydrophobicContact CG1-CE 4.25Å; I45-M70 HydrophobicContact CG2-CB 4.03Å; I45-M70 HydrophobicContact CG2-CE 4.32Å; I45-M70 HydrophobicContact CG2-CG 4.05Å; I48-M70 HydrophobicContact CB-CE 4.23Å; I48-M70 HydrophobicContact CD1-CE 3.74Å; I48-M70 HydrophobicContact CG2-CE 3.85Å; I48-M70 HydrophobicContact CG2-SD 4.02Å; I49-M70 HydrophobicContact CD1-CG 4.23Å; I49-M70 HydrophobicContact CG1-CG 4.31Å; E62-M70 WeakPolarHBondContact OE1-CB 3.35Å; G68-M70 PolarHBondContact O-N 3.24Å; M70-V72 VanDerWaalsContact C-N 3.33Å; M70-V72 PolarHBondContact O-N 3.28Å; M70-K73 PolarHBondContact O-N 3.42Å; M70-L74 HydrophobicContact CG-CD1 4Å; M70-L74 HydrophobicContact CG-CG 4.13Å; M70-L74 WeakPolarHBondContact O-CG 3.25Å; M70-L74 PolarHBondContact O-N 2.84Å; M70-V126 HydrophobicContact CE-CG1 4.29Å; M70-V126 HydrophobicContact SD-CB 4.21Å; M70-V126 HydrophobicContact SD-CG1 3.25Å; M70-V126 WeakPolarHBondContact SD-CG1 3.34Å
71	T	98.3	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-46.7	-50.1	176.6	-39.4	0	0	0	0	113.7	E62 P65 G68 K73 L74 L75 V81 L94 L107	E62-T71 VanDerWaalsContact CD-OG1 3.23Å; E62-T71 PolarHBondContact OE1-N 2.7Å; E62-T71 PolarHBondContact OE1-OG1 3.22Å; E62-T71 VanDerWaalsContact OE2-CA 3.22Å; E62-T71 WeakPolarHBondContact OE2-CA 3.23Å; E62-T71 WeakPolarHBondContact OE2-CB 3.41Å; E62-T71 WeakPolarHBondContact OE2-CG2 3.48Å; E62-T71 PolarHBondContact OE2-OG1 2.79Å; P65-T71 WeakPolarHBondContact CB-OG1 3.48Å; G68-T71 WeakPolarHBondContact CA-OG1 3.5Å; G68-T71 PolarHBondContact O-N 3.47Å; T71-K73 VanDerWaalsContact C-N 3.28Å; T71-K73 PolarHBondContact O-N 2.95Å; T71-L74 WeakPolarHBondContact O-CB 3.47Å; T71-L74 PolarHBondContact O-N 3.2Å; T71-L74 VanDerWaalsContact O-N 3.12Å; T71-L75 HydrophobicContact CG2-CD1 4.04Å; T71-L75 HydrophobicContact CG2-CG 4.42Å; T71-L75 WeakPolarHBondContact O-CG 3.4Å; T71-L75 PolarHBondContact O-N 2.7Å; T71-V81 HydrophobicContact CG2-CG1 4.25Å; T71-L94 HydrophobicContact CG2-CD1 4.01Å; T71-L94 HydrophobicContact CG2-CD2 4.4Å; T71-L107 HydrophobicContact CG2-CD1 3.72Å
72	V	97.8	Very high	97.4	Very high	36 Å²	36	33 Å²	33	22%	0.218	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-37.5	-177.9	-63.7	0	0	0	0	112.5	G68 M70 E76 R97 V98	G68-V72 PolarHBondContact O-N 3.29Å; M70-V72 VanDerWaalsContact C-N 3.33Å; M70-V72 PolarHBondContact O-N 3.28Å; V72-E76 WeakPolarHBondContact O-CG 3.36Å; V72-E76 PolarHBondContact O-N 2.85Å; V72-R97 HydrophobicContact CG1-CG 4.3Å; V72-V98 HydrophobicContact CG1-CG1 4.24Å
73	K	98.1	Very high	97.4	Very high	58 Å²	58	32.7 Å²	32.7	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-76.4	-30.2	177.8	-67.9	171.4	172	-76.5	0	112.5	I45 N46 I49 M70 T71	I45-K73 HydrophobicContact CG2-CD 3.67Å; N46-K73 VanDerWaalsContact OD1-CE 3.3Å; N46-K73 WeakPolarHBondContact OD1-CE 3.35Å; N46-K73 PolarHBondContact OD1-NZ 3.44Å; I49-K73 HydrophobicContact CD1-CB 3.3Å; I49-K73 HydrophobicContact CD1-CD 3.88Å; I49-K73 HydrophobicContact CD1-CG 4.24Å; M70-K73 PolarHBondContact O-N 3.42Å; T71-K73 VanDerWaalsContact C-N 3.28Å; T71-K73 PolarHBondContact O-N 2.95Å
74	L	98.5	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-43.4	173.6	-66.8	173.8	0	0	0	110.6	I49 L54 V60 E62 M70 T71 E76 K77 A78 V81 V126	I49-L74 HydrophobicContact CD1-CD2 4.37Å; I49-L74 HydrophobicContact CG1-CD2 3.98Å; L54-L74 HydrophobicContact CD1-CD2 3.63Å; V60-L74 HydrophobicContact CG1-CD1 4.08Å; V60-L74 HydrophobicContact CG1-CD2 4.27Å; E62-L74 HydrophobicContact CB-CD1 4.12Å; E62-L74 HydrophobicContact CG-CD1 4.2Å; M70-L74 HydrophobicContact CG-CD1 4Å; M70-L74 HydrophobicContact CG-CG 4.13Å; M70-L74 WeakPolarHBondContact O-CG 3.25Å; M70-L74 PolarHBondContact O-N 2.84Å; T71-L74 WeakPolarHBondContact O-CB 3.47Å; T71-L74 PolarHBondContact O-N 3.2Å; T71-L74 VanDerWaalsContact O-N 3.12Å; L74-E76 VanDerWaalsContact C-N 3.26Å; L74-E76 PolarHBondContact O-N 2.98Å; L74-K77 PolarHBondContact O-N 2.99Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.74Å; L74-V81 HydrophobicContact CB-CG2 3.7Å; L74-V81 HydrophobicContact CD1-CG1 4.48Å; L74-V126 HydrophobicContact CD2-CG2 4.49Å
75	L	98.6	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-30.3	-180	-74.1	167.1	0	0	0	113.7	T71 K77 V81 V98 V103 K106 L107	T71-L75 HydrophobicContact CG2-CD1 4.04Å; T71-L75 HydrophobicContact CG2-CG 4.42Å; T71-L75 WeakPolarHBondContact O-CG 3.4Å; T71-L75 PolarHBondContact O-N 2.7Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-V81 HydrophobicContact CB-CG2 4.5Å; L75-V81 HydrophobicContact CD2-CB 3.76Å; L75-V81 HydrophobicContact CD2-CG2 3.7Å; L75-V81 HydrophobicContact CG-CB 4.21Å; L75-V81 HydrophobicContact CG-CG2 3.88Å; L75-V98 HydrophobicContact CD1-CG1 3.85Å; L75-V103 HydrophobicContact CB-CB 3.97Å; L75-V103 HydrophobicContact CB-CG2 3.74Å; L75-V103 HydrophobicContact CD1-CG2 4.26Å; L75-K106 HydrophobicContact CD2-CB 3.7Å; L75-K106 WeakPolarHBondContact O-CD 3.48Å; L75-K106 PolarHBondContact O-NZ 2.93Å; L75-K106 VanDerWaalsContact O-NZ 3.15Å; L75-L107 HydrophobicContact CD1-CB 4.19Å; L75-L107 HydrophobicContact CD2-CB 3.88Å; L75-L107 HydrophobicContact CD2-CD1 4.49Å
76	E	97.9	Very high	97.3	Very high	134 Å²	134	37.3 Å²	37.3	63%	0.626	18%	0.18	S	C	*	.	H	α-helix	trans	-68.4	-30.4	174	-72.2	170.2	179.2	0	0	112.5	V72 L74	V72-E76 WeakPolarHBondContact O-CG 3.36Å; V72-E76 PolarHBondContact O-N 2.85Å; L74-E76 VanDerWaalsContact C-N 3.26Å; L74-E76 PolarHBondContact O-N 2.98Å
77	K	98.4	Very high	97.3	Very high	111 Å²	111	38 Å²	38	48%	0.483	18%	0.181	S	C	.	.	H	α-helix	trans	-105	-27.2	-171	-66.3	-172.2	175.8	-161.9	0	114.8	I49 L54 L74 L75	I49-K77 HydrophobicContact CG2-CD 3.68Å; L54-K77 HydrophobicContact CD1-CB 4.05Å; L54-K77 HydrophobicContact CD1-CD 4.48Å; L74-K77 PolarHBondContact O-N 2.99Å; L75-K77 VanDerWaalsContact C-N 3.32Å
78	A	98.6	Very high	97.4	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	20%	0.2	C	C	.	.	S	Bend	trans	-102.4	164	-174	0	0	0	0	0	112.8	V60 L74 V81	V60-A78 HydrophobicContact CG2-CB 3.55Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.74Å; A78-V81 HydrophobicContact CB-CG2 4.38Å
79	K	98.6	Very high	97.3	Very high	143 Å²	143	46.2 Å²	46.2	62%	0.622	22%	0.221	S	C	*	.	S	Bend	trans	-70.2	-42.3	173.4	179.2	60	178.1	-176.2	0	111.1	P56 D58	P56-K79 WeakPolarHBondContact O-CB 3.46Å; P56-K79 PolarHBondContact O-N 2.97Å; D58-K79 WeakPolarHBondContact O-CB 3.19Å; D58-K79 PolarHBondContact O-N 2.85Å
80	K	98.8	Very high	97.3	Very high	78 Å²	78	44.4 Å²	44.4	34%	0.339	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.8	-177.5	-173	176.7	179.6	-178.5	0	109.9	D58 V59 V60 V82 K106	D58-K80 PolarHBondContact O-N 3.3Å; V59-K80 WeakPolarHBondContact CA-O 3.47Å; V59-K80 HydrophobicContact CG1-CB 4.38Å; V59-K80 HydrophobicContact CG2-CB 4.29Å; V60-K80 PolarHBondContact N-O 3.06Å; K80-V82 HydrophobicContact CD-CG2 4.44Å; K80-V82 HydrophobicContact CG-CG2 4.49Å; K80-K106 WeakPolarHBondContact CA-O 3.28Å; K80-K106 WeakPolarHBondContact CG-O 3.43Å
81	V	98.9	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.8	169.9	-178.3	0	0	0	0	108.2	V60 E62 T71 L74 L75 A78 K106 L107 Q108	V60-V81 HydrophobicContact CB-CG2 4.38Å; V60-V81 CarbonylContact O-C 3.46Å; V60-V81 WeakPolarHBondContact O-CA 3.33Å; E62-V81 HydrophobicContact CB-CG1 4.21Å; T71-V81 HydrophobicContact CG2-CG1 4.25Å; L74-V81 HydrophobicContact CB-CG2 3.7Å; L74-V81 HydrophobicContact CD1-CG1 4.48Å; L75-V81 HydrophobicContact CB-CG2 4.5Å; L75-V81 HydrophobicContact CD2-CB 3.76Å; L75-V81 HydrophobicContact CD2-CG2 3.7Å; L75-V81 HydrophobicContact CG-CB 4.21Å; L75-V81 HydrophobicContact CG-CG2 3.88Å; A78-V81 HydrophobicContact CB-CG2 4.38Å; V81-K106 PolarHBondContact N-O 3.29Å; V81-L107 HydrophobicContact CB-CD1 4.34Å; V81-L107 HydrophobicContact CG1-CD1 4.32Å; V81-Q108 PolarHBondContact O-N 3.14Å
82	V	98.8	Very high	97.2	Very high	2 Å²	2	47 Å²	47	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.3	171.3	-176.3	0	0	0	0	107.3	V59 V60 L61 E62 K80 Q108 L110 P120	V59-V82 HydrophobicContact CG1-CG2 4.14Å; V60-V82 PolarHBondContact O-N 3.32Å; L61-V82 CarbonylContact C-O 3.48Å; L61-V82 WeakPolarHBondContact CA-O 3.43Å; L61-V82 HydrophobicContact CD1-CB 4.27Å; L61-V82 HydrophobicContact CD1-CG1 4.17Å; E62-V82 PolarHBondContact N-O 3.47Å; K80-V82 HydrophobicContact CD-CG2 4.44Å; K80-V82 HydrophobicContact CG-CG2 4.49Å; V82-Q108 CarbonylContact C-O 3.54Å; V82-Q108 WeakPolarHBondContact CA-O 3.44Å; V82-Q108 HydrophobicContact CG2-CB 4.42Å; V82-L110 HydrophobicContact CG1-CD1 3.61Å; V82-L110 HydrophobicContact CG1-CG 3.77Å; V82-P120 HydrophobicContact CG1-CG 4.07Å; V82-P120 HydrophobicContact CG2-CG 4.33Å
83	A	98.5	Very high	97.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.5	-179.4	0	0	0	0	0	110.7	E62 P65 L94 L107 Q108 V109 L110	E62-A83 CarbonylContact O-C 3.51Å; E62-A83 VanDerWaalsContact O-CA 3.27Å; E62-A83 WeakPolarHBondContact O-CA 3.42Å; P65-A83 HydrophobicContact CB-CB 4.24Å; P65-A83 HydrophobicContact CG-CB 4.07Å; A83-L94 HydrophobicContact CB-CD2 4.11Å; A83-L107 HydrophobicContact CB-CD1 4.06Å; A83-Q108 PolarHBondContact N-O 2.98Å; A83-V109 HydrophobicContact CB-CG2 4.47Å; A83-V109 CarbonylContact O-C 3.6Å; A83-V109 WeakPolarHBondContact O-CA 3.32Å; A83-L110 PolarHBondContact O-N 2.74Å
84	C	98	Very high	97.1	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118	174.1	-66.9	0	0	0	0	110	E62 V63 G64 P65 L110 V114	E62-C84 PolarHBondContact O-N 3.49Å; V63-C84 HydrophobicContact CG1-CB 4.15Å; V63-C84 HydrophobicContact CG2-CB 4.47Å; G64-C84 PolarHBondContact N-O 2.85Å; P65-C84 VanDerWaalsContact CD-O 3.24Å; P65-C84 WeakPolarHBondContact CD-O 3.37Å; C84-L110 WeakPolarHBondContact CA-O 3.45Å; C84-V114 HydrophobicContact CB-CB 4.35Å; C84-V114 HydrophobicContact CB-CG2 4.1Å
85	E	96.1	Very high	97	Very high	17 Å²	17	50.8 Å²	50.8	8%	0.079	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.7	-178.8	-178.6	52.5	-105.8	0	0	111.2	P65 G66 D87 L90 V91 L110 V111 G112	P65-E85 WeakPolarHBondContact CD-OE2 3.38Å; P65-E85 HydrophobicContact CG-CB 3.83Å; P65-E85 HydrophobicContact CG-CG 4.3Å; G66-E85 PolarHBondContact N-OE2 3.41Å; E85-D87 PolarHBondContact OE1-N 3.1Å; E85-L90 HydrophobicContact CG-CB 3.9Å; E85-V91 HydrophobicContact CB-CG2 3.75Å; E85-V91 HydrophobicContact CG-CG2 3.82Å; E85-L110 PolarHBondContact N-O 3.3Å; E85-L110 VanDerWaalsContact N-O 3.09Å; E85-V111 WeakPolarHBondContact O-CA 3.32Å; E85-G112 PolarHBondContact O-N 3.29Å
86	L	94.1	Very high	97	Very high	107 Å²	107	57.9 Å²	57.9	56%	0.56	28%	0.281	S	S	*	.	S	Bend	trans	-84.2	-36.3	-178.6	179.5	64.9	0	0	0	111.6	P88 D113	L86-P88 VanDerWaalsContact O-CD 3.29Å; L86-P88 WeakPolarHBondContact O-CD 3.3Å; L86-D113 HydrophobicContact CD1-CB 4.23Å
87	D	93.9	Very high	96.9	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.102	27%	0.269	C	S	.	.			trans	-87.4	111.3	-174.9	-168.1	-27.9	0	0	0	111.5	Q36 E85 R89 L90 V91	Q36-D87 PolarHBondContact NE2-OD2 3.03Å; E85-D87 PolarHBondContact OE1-N 3.1Å; D87-R89 PolarHBondContact O-N 3.4Å; D87-R89 VanDerWaalsContact O-N 3.07Å; D87-R89 VanDerWaalsContact OD1-CB 3.28Å; D87-R89 WeakPolarHBondContact OD1-CB 3.4Å; D87-R89 WeakPolarHBondContact OD1-CG 3.48Å; D87-R89 IonicContact OD1-CZ 3.11Å; D87-R89 PolarHBondContact OD1-N 2.94Å; D87-R89 IonicContact OD1-NE 3.86Å; D87-R89 PolarHBondContact OD1-NE 3.45Å; D87-R89 VanDerWaalsContact OD1-NE 3.11Å; D87-R89 IonicContact OD1-NH2 3.44Å; D87-R89 IonicContact OD2-CZ 3.45Å; D87-R89 IonicContact OD2-NE 3.89Å; D87-R89 PolarHBondContact OD2-NE 2.83Å; D87-R89 IonicContact OD2-NH2 3.46Å; D87-R89 PolarHBondContact OD2-NH2 2.73Å; D87-L90 HydrophobicContact CB-CB 4.26Å; D87-L90 HydrophobicContact CB-CD1 3.98Å; D87-L90 HydrophobicContact CB-CG 4.04Å; D87-L90 PolarHBondContact O-N 2.68Å; D87-V91 PolarHBondContact O-N 3.29Å; D87-V91 VanDerWaalsContact O-N 3.15Å
88	P	94.6	Very high	96.9	Very high	87 Å²	87	51.1 Å²	51.1	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-60.6	-23.9	-178.6	-23.3	35.3	0	0	0	113.5	L86 V91 A92 V111	L86-P88 VanDerWaalsContact O-CD 3.29Å; L86-P88 WeakPolarHBondContact O-CD 3.3Å; P88-V91 WeakPolarHBondContact O-CB 3.3Å; P88-V91 PolarHBondContact O-N 3.43Å; P88-A92 PolarHBondContact O-N 2.88Å; P88-V111 HydrophobicContact CG-CG1 4.45Å
89	R	95.1	Very high	96.8	Very high	115 Å²	115	58.1 Å²	58.1	43%	0.434	28%	0.28	S	S	.	.	H	α-helix	trans	-69.7	-38.5	176.6	-56.1	175	-61.1	140.2	2.9	111.3	L28 M29 D87 E93	L28-R89 HydrophobicContact CD1-CB 4.46Å; M29-R89 PolarHBondContact O-NH1 3.18Å; M29-R89 PolarHBondContact O-NH2 2.94Å; D87-R89 PolarHBondContact O-N 3.4Å; D87-R89 VanDerWaalsContact O-N 3.07Å; D87-R89 VanDerWaalsContact OD1-CB 3.28Å; D87-R89 WeakPolarHBondContact OD1-CB 3.4Å; D87-R89 WeakPolarHBondContact OD1-CG 3.48Å; D87-R89 IonicContact OD1-CZ 3.11Å; D87-R89 PolarHBondContact OD1-N 2.94Å; D87-R89 IonicContact OD1-NE 3.86Å; D87-R89 PolarHBondContact OD1-NE 3.45Å; D87-R89 VanDerWaalsContact OD1-NE 3.11Å; D87-R89 IonicContact OD1-NH2 3.44Å; D87-R89 IonicContact OD2-CZ 3.45Å; D87-R89 IonicContact OD2-NE 3.89Å; D87-R89 PolarHBondContact OD2-NE 2.83Å; D87-R89 IonicContact OD2-NH2 3.46Å; D87-R89 PolarHBondContact OD2-NH2 2.73Å; R89-E93 PolarHBondContact O-N 3.12Å; R89-E93 VanDerWaalsContact O-N 3.11Å
90	L	94.8	Very high	96.7	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-71.5	-34.5	176.2	-67.2	178.8	0	0	0	111.2	L28 F30 E85 D87 E93 L94	L28-L90 HydrophobicContact CD1-CD2 4.07Å; L28-L90 HydrophobicContact CD2-CD2 3.72Å; L28-L90 HydrophobicContact CD2-CG 4.48Å; F30-L90 HydrophobicContact CE1-CD2 4.07Å; E85-L90 HydrophobicContact CG-CB 3.9Å; D87-L90 HydrophobicContact CB-CB 4.26Å; D87-L90 HydrophobicContact CB-CD1 3.98Å; D87-L90 HydrophobicContact CB-CG 4.04Å; D87-L90 PolarHBondContact O-N 2.68Å; L90-E93 PolarHBondContact O-N 2.89Å; L90-L94 VanDerWaalsContact O-CB 3.29Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 2.86Å
91	V	96.8	Very high	96.7	Very high	12 Å²	12	53.9 Å²	53.9	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-50	171.8	171.7	0	0	0	0	111.1	E85 D87 P88 E93 L94 H95 V109 V111	E85-V91 HydrophobicContact CB-CG2 3.75Å; E85-V91 HydrophobicContact CG-CG2 3.82Å; D87-V91 PolarHBondContact O-N 3.29Å; D87-V91 VanDerWaalsContact O-N 3.15Å; P88-V91 WeakPolarHBondContact O-CB 3.3Å; P88-V91 PolarHBondContact O-N 3.43Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.13Å; V91-L94 PolarHBondContact O-N 2.98Å; V91-H95 PolarHBondContact O-CD2 2.82Å; V91-H95 VanDerWaalsContact O-CD2 3.26Å; V91-H95 PolarHBondContact O-N 3.22Å; V91-V109 HydrophobicContact CB-CG1 4.37Å; V91-V109 HydrophobicContact CG1-CB 4.45Å; V91-V109 HydrophobicContact CG1-CG1 3.83Å; V91-V109 HydrophobicContact CG2-CG1 3.92Å; V91-V111 HydrophobicContact CB-CG2 4.43Å; V91-V111 HydrophobicContact CG1-CG2 3.87Å; V91-V111 HydrophobicContact CG2-CG1 4.32Å; V91-V111 HydrophobicContact CG2-CG2 3.91Å
92	A	96.5	Very high	96.6	Very high	61 Å²	61	60 Å²	60	50%	0.504	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-43.4	178.5	0	0	0	0	0	112	P88 L94 H95 K96	P88-A92 PolarHBondContact O-N 2.88Å; A92-L94 VanDerWaalsContact C-N 3.35Å; A92-L94 PolarHBondContact O-N 3.17Å; A92-H95 PolarHBondContact O-N 3.13Å; A92-K96 WeakPolarHBondContact O-CB 3.4Å; A92-K96 PolarHBondContact O-N 3.47Å
93	E	95.9	Very high	96.6	Very high	84 Å²	84	61.2 Å²	61.2	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-40.4	176.1	-176.7	61.9	-167.8	0	0	111.9	L28 R89 L90 V91 K96 R97	L28-E93 HydrophobicContact CD1-CB 4.11Å; L28-E93 HydrophobicContact CD1-CG 4.38Å; R89-E93 PolarHBondContact O-N 3.12Å; R89-E93 VanDerWaalsContact O-N 3.11Å; L90-E93 PolarHBondContact O-N 2.89Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.13Å; E93-K96 PolarHBondContact O-N 3.48Å; E93-R97 VanDerWaalsContact O-CB 3.31Å; E93-R97 WeakPolarHBondContact O-CB 3.34Å; E93-R97 PolarHBondContact O-N 3.06Å
94	L	97.2	Very high	96.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-45.4	177.6	-177.5	61.8	0	0	0	111.6	P65 G68 T71 A83 L90 V91 A92 R97 V98 L107 V109	P65-L94 HydrophobicContact CB-CD2 3.9Å; P65-L94 HydrophobicContact CG-CD2 3.89Å; G68-L94 VanDerWaalsContact CA-CD1 3.5Å; T71-L94 HydrophobicContact CG2-CD1 4.01Å; T71-L94 HydrophobicContact CG2-CD2 4.4Å; A83-L94 HydrophobicContact CB-CD2 4.11Å; L90-L94 VanDerWaalsContact O-CB 3.29Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 2.86Å; V91-L94 PolarHBondContact O-N 2.98Å; A92-L94 VanDerWaalsContact C-N 3.35Å; A92-L94 PolarHBondContact O-N 3.17Å; L94-R97 WeakPolarHBondContact O-CB 3.27Å; L94-R97 PolarHBondContact O-N 3.12Å; L94-V98 PolarHBondContact O-N 3.15Å; L94-L107 HydrophobicContact CD2-CD2 4.2Å; L94-L107 HydrophobicContact CG-CD2 4.02Å; L94-V109 HydrophobicContact CD2-CG2 4.1Å
95	H	97.9	Very high	96.6	Very high	88 Å²	88	67.9 Å²	67.9	41%	0.407	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-46.6	174.7	-80.6	-62.6	0	0	0	111.6	V91 A92 R97 V98 Q99	V91-H95 PolarHBondContact O-CD2 2.82Å; V91-H95 VanDerWaalsContact O-CD2 3.26Å; V91-H95 PolarHBondContact O-N 3.22Å; A92-H95 PolarHBondContact O-N 3.13Å; H95-R97 VanDerWaalsContact C-N 3.27Å; H95-R97 PolarHBondContact O-N 3.18Å; H95-V98 WeakPolarHBondContact O-CG2 3.32Å; H95-V98 PolarHBondContact O-N 3.38Å; H95-Q99 WeakPolarHBondContact O-CB 3.18Å; H95-Q99 PolarHBondContact O-N 3.22Å
96	K	97.3	Very high	96.7	Very high	150 Å²	150	70.3 Å²	70.3	65%	0.652	39%	0.394	S	S	*	.	H	α-helix	trans	-59.3	-39.6	176.4	-177.8	166.3	-177.1	155.3	0	112.2	A92 E93 V98 Q99	A92-K96 WeakPolarHBondContact O-CB 3.4Å; A92-K96 PolarHBondContact O-N 3.47Å; E93-K96 PolarHBondContact O-N 3.48Å; K96-V98 PolarHBondContact O-N 3.37Å; K96-Q99 WeakPolarHBondContact O-CB 3.34Å; K96-Q99 PolarHBondContact O-N 2.87Å
97	R	97.1	Very high	96.9	Very high	97 Å²	97	66.2 Å²	66.2	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-35.7	-179.8	-176.3	172.7	-176	162.3	2.6	113.2	T67 N69 V72 E93 L94 H95	T67-R97 WeakPolarHBondContact O-CD 3.37Å; T67-R97 PolarHBondContact O-NH1 3Å; N69-R97 PolarHBondContact OD1-NH1 2.93Å; N69-R97 PolarHBondContact OD1-NH2 3.41Å; V72-R97 HydrophobicContact CG1-CG 4.3Å; E93-R97 VanDerWaalsContact O-CB 3.31Å; E93-R97 WeakPolarHBondContact O-CB 3.34Å; E93-R97 PolarHBondContact O-N 3.06Å; L94-R97 WeakPolarHBondContact O-CB 3.27Å; L94-R97 PolarHBondContact O-N 3.12Å; H95-R97 VanDerWaalsContact C-N 3.27Å; H95-R97 PolarHBondContact O-N 3.18Å
98	V	97.5	Very high	97.1	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.03	38%	0.384	C	S	.	.	H	α-helix	trans	-92.9	-11.5	179.5	-57.7	0	0	0	0	113.1	V72 L75 L94 H95 K96 G100 T101 A104 L107	V72-V98 HydrophobicContact CG1-CG1 4.24Å; L75-V98 HydrophobicContact CD1-CG1 3.85Å; L94-V98 PolarHBondContact O-N 3.15Å; H95-V98 WeakPolarHBondContact O-CG2 3.32Å; H95-V98 PolarHBondContact O-N 3.38Å; K96-V98 PolarHBondContact O-N 3.37Å; V98-G100 PolarHBondContact O-N 3.33Å; V98-T101 WeakPolarHBondContact O-CB 3.32Å; V98-T101 WeakPolarHBondContact O-CG2 3.34Å; V98-T101 PolarHBondContact O-N 2.97Å; V98-T101 VanDerWaalsContact O-N 3.09Å; V98-T101 PolarHBondContact O-OG1 3.3Å; V98-A104 HydrophobicContact CG2-CB 4.46Å; V98-A104 VanDerWaalsContact O-CB 3.3Å; V98-A104 WeakPolarHBondContact O-CB 3.5Å; V98-L107 HydrophobicContact CG1-CD2 4.19Å; V98-L107 HydrophobicContact CG2-CD2 3.71Å
99	Q	97.4	Very high	97.3	Very high	150 Å²	150	65.7 Å²	65.7	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	133.3	-178.1	-173.9	177.7	-28.8	0	0	111.5	H95 K96 T101	H95-Q99 WeakPolarHBondContact O-CB 3.18Å; H95-Q99 PolarHBondContact O-N 3.22Å; K96-Q99 WeakPolarHBondContact O-CB 3.34Å; K96-Q99 PolarHBondContact O-N 2.87Å; Q99-T101 PolarHBondContact O-N 3.36Å
100	G	96.7	Very high	97.5	Very high	80 Å²	80	61.9 Å²	61.9	83%	0.825	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-3.9	-179.2	0	0	0	0	0	115	V98	V98-G100 PolarHBondContact O-N 3.33Å
101	T	97.9	Very high	97.6	Very high	52 Å²	52	65.9 Å²	65.9	32%	0.319	38%	0.376	S	S	.	.	S	Bend	trans	-82.2	149.8	174.2	71.4	0	0	0	0	111.1	V98 Q99 V103 A104	V98-T101 WeakPolarHBondContact O-CB 3.32Å; V98-T101 WeakPolarHBondContact O-CG2 3.34Å; V98-T101 PolarHBondContact O-N 2.97Å; V98-T101 VanDerWaalsContact O-N 3.09Å; V98-T101 PolarHBondContact O-OG1 3.3Å; Q99-T101 PolarHBondContact O-N 3.36Å; T101-V103 PolarHBondContact O-N 3Å; T101-A104 WeakPolarHBondContact O-CB 3.4Å; T101-A104 PolarHBondContact O-N 3.16Å; T101-A104 VanDerWaalsContact O-N 3.12Å; T101-A104 PolarHBondContact OG1-N 3.34Å
102	P	97.7	Very high	97.6	Very high	128 Å²	128	66.4 Å²	66.4	83%	0.831	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.1	177.7	-24.1	34.1	0	0	0	114.3
103	V	97.8	Very high	97.5	Very high	27 Å²	27	65.7 Å²	65.7	16%	0.164	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.4	-177.4	-58.4	0	0	0	0	113.4	L75 T101 S105 K106	L75-V103 HydrophobicContact CB-CB 3.97Å; L75-V103 HydrophobicContact CB-CG2 3.74Å; L75-V103 HydrophobicContact CD1-CG2 4.26Å; T101-V103 PolarHBondContact O-N 3Å; V103-S105 PolarHBondContact O-N 3.43Å; V103-K106 HydrophobicContact CB-CD 4.28Å; V103-K106 HydrophobicContact CG1-CD 4.45Å; V103-K106 WeakPolarHBondContact O-CB 3.37Å; V103-K106 PolarHBondContact O-N 3.28Å
104	A	97.9	Very high	97.5	Very high	31 Å²	31	62 Å²	62	26%	0.256	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-54.8	-39.6	-177.4	0	0	0	0	0	112.7	V98 T101 K106 L107	V98-A104 HydrophobicContact CG2-CB 4.46Å; V98-A104 VanDerWaalsContact O-CB 3.3Å; V98-A104 WeakPolarHBondContact O-CB 3.5Å; T101-A104 WeakPolarHBondContact O-CB 3.4Å; T101-A104 PolarHBondContact O-N 3.16Å; T101-A104 VanDerWaalsContact O-N 3.12Å; T101-A104 PolarHBondContact OG1-N 3.34Å; A104-K106 PolarHBondContact O-N 3.5Å; A104-L107 PolarHBondContact O-N 2.71Å; A104-L107 VanDerWaalsContact O-N 3.16Å
105	S	98	Very high	97.5	Very high	112 Å²	112	64.3 Å²	64.3	78%	0.783	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.9	179.7	58.1	0	0	0	0	114.2	V103 L107	V103-S105 PolarHBondContact O-N 3.43Å; S105-L107 VanDerWaalsContact C-N 3.35Å
106	K	98.6	Very high	97.5	Very high	69 Å²	69	68.2 Å²	68.2	30%	0.3	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-84.2	-10.1	176.3	-56.6	179.8	-174.1	-179.1	0	112.9	L75 K80 V81 V103 A104	L75-K106 HydrophobicContact CD2-CB 3.7Å; L75-K106 WeakPolarHBondContact O-CD 3.48Å; L75-K106 PolarHBondContact O-NZ 2.93Å; L75-K106 VanDerWaalsContact O-NZ 3.15Å; K80-K106 WeakPolarHBondContact CA-O 3.28Å; K80-K106 WeakPolarHBondContact CG-O 3.43Å; V81-K106 PolarHBondContact N-O 3.29Å; V103-K106 HydrophobicContact CB-CD 4.28Å; V103-K106 HydrophobicContact CG1-CD 4.45Å; V103-K106 WeakPolarHBondContact O-CB 3.37Å; V103-K106 PolarHBondContact O-N 3.28Å; A104-K106 PolarHBondContact O-N 3.5Å
107	L	98.8	Very high	97.4	Very high	20 Å²	20	62.5 Å²	62.5	11%	0.105	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.7	179.8	-177.4	63.7	0	0	0	110.9	T71 L75 V81 A83 L94 V98 A104 S105 V109	T71-L107 HydrophobicContact CG2-CD1 3.72Å; L75-L107 HydrophobicContact CD1-CB 4.19Å; L75-L107 HydrophobicContact CD2-CB 3.88Å; L75-L107 HydrophobicContact CD2-CD1 4.49Å; V81-L107 HydrophobicContact CB-CD1 4.34Å; V81-L107 HydrophobicContact CG1-CD1 4.32Å; A83-L107 HydrophobicContact CB-CD1 4.06Å; L94-L107 HydrophobicContact CD2-CD2 4.2Å; L94-L107 HydrophobicContact CG-CD2 4.02Å; V98-L107 HydrophobicContact CG1-CD2 4.19Å; V98-L107 HydrophobicContact CG2-CD2 3.71Å; A104-L107 PolarHBondContact O-N 2.71Å; A104-L107 VanDerWaalsContact O-N 3.16Å; S105-L107 VanDerWaalsContact C-N 3.35Å; L107-V109 HydrophobicContact CD1-CG2 4.24Å; L107-V109 HydrophobicContact CD2-CG2 3.88Å; L107-V109 HydrophobicContact CG-CG2 3.89Å
108	Q	98.7	Very high	97.4	Very high	72 Å²	72	65 Å²	65	34%	0.336	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.3	162.7	179.6	177.3	3.4	0	0	108.3	V81 V82 A83 L110	V81-Q108 PolarHBondContact O-N 3.14Å; V82-Q108 CarbonylContact C-O 3.54Å; V82-Q108 WeakPolarHBondContact CA-O 3.44Å; V82-Q108 HydrophobicContact CG2-CB 4.42Å; A83-Q108 PolarHBondContact N-O 2.98Å; Q108-L110 HydrophobicContact CG-CD2 4.41Å
109	V	98.6	Very high	97.4	Very high	23 Å²	23	65.9 Å²	65.9	14%	0.139	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	176.3	-170.8	0	0	0	0	109.7	A83 V91 L94 L107	A83-V109 HydrophobicContact CB-CG2 4.47Å; A83-V109 CarbonylContact O-C 3.6Å; A83-V109 WeakPolarHBondContact O-CA 3.32Å; V91-V109 HydrophobicContact CB-CG1 4.37Å; V91-V109 HydrophobicContact CG1-CB 4.45Å; V91-V109 HydrophobicContact CG1-CG1 3.83Å; V91-V109 HydrophobicContact CG2-CG1 3.92Å; L94-V109 HydrophobicContact CD2-CG2 4.1Å; L107-V109 HydrophobicContact CD1-CG2 4.24Å; L107-V109 HydrophobicContact CD2-CG2 3.88Å; L107-V109 HydrophobicContact CG-CG2 3.89Å
110	L	98.3	Very high	97.5	Very high	36 Å²	36	61 Å²	61	19%	0.188	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.4	172	-58.2	-178	0	0	0	108.2	V82 A83 C84 E85 Q108 T117 P120	V82-L110 HydrophobicContact CG1-CD1 3.61Å; V82-L110 HydrophobicContact CG1-CG 3.77Å; A83-L110 PolarHBondContact O-N 2.74Å; C84-L110 WeakPolarHBondContact CA-O 3.45Å; E85-L110 PolarHBondContact N-O 3.3Å; E85-L110 VanDerWaalsContact N-O 3.09Å; Q108-L110 HydrophobicContact CG-CD2 4.41Å; L110-T117 HydrophobicContact CD1-CG2 4.07Å; L110-P120 HydrophobicContact CD1-CG 4.46Å
111	V	98	Very high	97.5	Very high	87 Å²	87	61.6 Å²	61.6	53%	0.527	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.7	-179	-170.8	0	0	0	0	109.5	E85 P88 V91	E85-V111 WeakPolarHBondContact O-CA 3.32Å; P88-V111 HydrophobicContact CG-CG1 4.45Å; V91-V111 HydrophobicContact CB-CG2 4.43Å; V91-V111 HydrophobicContact CG1-CG2 3.87Å; V91-V111 HydrophobicContact CG2-CG1 4.32Å; V91-V111 HydrophobicContact CG2-CG2 3.91Å
112	G	95.1	Very high	97.6	Very high	22 Å²	22	59.2 Å²	59.2	23%	0.227	33%	0.332	C	S	.	.	S	Bend	trans	144.9	-174.8	174.2	0	0	0	0	0	115.2	E85 V114	E85-G112 PolarHBondContact O-N 3.29Å; G112-V114 PolarHBondContact O-N 2.81Å
113	D	95.4	Very high	97.6	Very high	47 Å²	47	54.9 Å²	54.9	25%	0.251	30%	0.302	S	S	.	.			trans	-74.4	109	175.8	179.7	-2.6	0	0	0	110.2	L86 L115 K116 T117	L86-D113 HydrophobicContact CD1-CB 4.23Å; D113-L115 PolarHBondContact O-N 3.47Å; D113-L115 WeakPolarHBondContact OD1-CB 3.47Å; D113-L115 PolarHBondContact OD1-N 3.23Å; D113-K116 HydrophobicContact CB-CB 4.44Å; D113-K116 HydrophobicContact CB-CD 4.19Å; D113-K116 HydrophobicContact CB-CG 4.3Å; D113-K116 WeakPolarHBondContact O-CA 3.07Å; D113-K116 PolarHBondContact O-N 3.05Å; D113-K116 VanDerWaalsContact OD2-CE 3.29Å; D113-K116 WeakPolarHBondContact OD2-CE 3.23Å; D113-K116 IonicContact OD2-NZ 3.69Å; D113-T117 PolarHBondContact O-N 3.03Å; D113-T117 PolarHBondContact O-OG1 2.9Å
114	V	96.6	Very high	97.7	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.042	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.6	179.9	71.6	0	0	0	0	113.4	V63 C84 G112 K116 L119 I133 F137 K140	V63-V114 HydrophobicContact CG1-CB 3.83Å; V63-V114 HydrophobicContact CG1-CG1 3.81Å; V63-V114 HydrophobicContact CG1-CG2 3.65Å; V63-V114 HydrophobicContact CG2-CG2 4.13Å; C84-V114 HydrophobicContact CB-CB 4.35Å; C84-V114 HydrophobicContact CB-CG2 4.1Å; G112-V114 PolarHBondContact O-N 2.81Å; V114-K116 PolarHBondContact O-N 3.35Å; V114-L119 HydrophobicContact CG2-CD2 3.88Å; V114-I133 HydrophobicContact CG1-CD1 4.3Å; V114-F137 HydrophobicContact CG1-CD2 4.01Å; V114-F137 HydrophobicContact CG1-CE2 4.25Å; V114-F137 HydrophobicContact CG2-CD2 4.31Å; V114-F137 HydrophobicContact CG2-CE2 3.81Å; V114-K140 WeakPolarHBondContact O-CD 3.32Å; V114-K140 WeakPolarHBondContact O-CE 3.17Å
115	L	96.8	Very high	97.7	Very high	48 Å²	48	52.2 Å²	52.2	25%	0.251	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.9	178.1	-61.9	-176.4	0	0	0	111.6	D113 I133 P136 F137 K140	D113-L115 PolarHBondContact O-N 3.47Å; D113-L115 WeakPolarHBondContact OD1-CB 3.47Å; D113-L115 PolarHBondContact OD1-N 3.23Å; L115-I133 HydrophobicContact CD1-CB 4.08Å; L115-I133 HydrophobicContact CD1-CG2 3.96Å; L115-P136 HydrophobicContact CD1-CB 4.05Å; L115-P136 HydrophobicContact CD1-CG 3.8Å; L115-P136 HydrophobicContact CD2-CB 4.08Å; L115-P136 HydrophobicContact CD2-CG 4.29Å; L115-F137 HydrophobicContact CD2-CB 3.98Å; L115-F137 HydrophobicContact CD2-CD2 4.4Å; L115-K140 PolarHBondContact O-NZ 2.9Å
116	K	97.1	Very high	97.7	Very high	170 Å²	170	47 Å²	47	74%	0.739	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-18.3	-179.2	-57.5	177.7	-172.4	171.2	0	113	D113 V114	D113-K116 HydrophobicContact CB-CB 4.44Å; D113-K116 HydrophobicContact CB-CD 4.19Å; D113-K116 HydrophobicContact CB-CG 4.3Å; D113-K116 WeakPolarHBondContact O-CA 3.07Å; D113-K116 PolarHBondContact O-N 3.05Å; D113-K116 VanDerWaalsContact OD2-CE 3.29Å; D113-K116 WeakPolarHBondContact OD2-CE 3.23Å; D113-K116 IonicContact OD2-NZ 3.69Å; V114-K116 PolarHBondContact O-N 3.35Å
117	T	96.6	Very high	97.6	Very high	30 Å²	30	44 Å²	44	18%	0.184	23%	0.234	C	C	.	.	S	Bend	trans	-70.7	136.3	177.3	-53.7	0	0	0	0	111.5	L110 D113 L119 K140	L110-T117 HydrophobicContact CD1-CG2 4.07Å; D113-T117 PolarHBondContact O-N 3.03Å; D113-T117 PolarHBondContact O-OG1 2.9Å; T117-L119 PolarHBondContact O-N 3.36Å; T117-K140 VanDerWaalsContact O-CE 3.26Å; T117-K140 WeakPolarHBondContact O-CE 3.43Å; T117-K140 PolarHBondContact O-NZ 3.48Å
118	D	96.6	Very high	97.1	Very high	150 Å²	150	44.7 Å²	44.7	80%	0.802	24%	0.238	S	C	*	.			trans	-73.3	113.7	165.3	-66.7	-40.7	0	0	0	109.3
119	L	97.8	Very high	96.4	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.115	22%	0.224	C	C	.	.			trans	-79	130.6	-175.4	-59.8	178.5	0	0	0	109.4	L61 V114 T117 F122 K140 H144	L61-L119 HydrophobicContact CD2-CD1 4.15Å; L61-L119 HydrophobicContact CD2-CD2 4.13Å; V114-L119 HydrophobicContact CG2-CD2 3.88Å; T117-L119 PolarHBondContact O-N 3.36Å; L119-F122 HydrophobicContact CB-CE1 4.34Å; L119-F122 HydrophobicContact CD1-CE1 4.41Å; L119-K140 HydrophobicContact CD1-CD 4.18Å; L119-K140 HydrophobicContact CD1-CG 4.33Å; L119-H144 PolarHBondContact O-CE1 3.21Å
120	P	98	Very high	95.7	Very high	48 Å²	48	42.4 Å²	42.4	31%	0.312	23%	0.229	S	C	.	.			trans	-69.1	175.8	172.3	32.2	-35.4	0	0	0	110.3	V82 L110 F122 H144	V82-P120 HydrophobicContact CG1-CG 4.07Å; V82-P120 HydrophobicContact CG2-CG 4.33Å; L110-P120 HydrophobicContact CD1-CG 4.46Å; P120-F122 VanDerWaalsContact O-CD1 3.24Å; P120-F122 WeakPolarHBondContact O-CD1 3.47Å; P120-H144 PolarHBondContact O-CE1 3.44Å; P120-H144 PolarHBondContact O-NE2 2.86Å
121	F	98.4	Very high	95.2	Very high	93 Å²	93	42.3 Å²	42.3	41%	0.408	23%	0.227	S	C	.	.			trans	-58.9	140	165.6	172.1	-96.8	0	0	0	111.1	D123 P146	F121-D123 WeakPolarHBondContact CZ-OD1 3.42Å; F121-P146 HydrophobicContact CD2-CB 4.06Å; F121-P146 HydrophobicContact CD2-CG 4.11Å; F121-P146 HydrophobicContact CE2-CB 4.39Å
122	F	98.8	Very high	94.7	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	23%	0.23	C	C	.	.			trans	-148.2	145.8	169.1	56.7	-88.8	0	0	0	110.4	V59 L61 L119 P120 T124 C125 L141 H144 F148	V59-F122 HydrophobicContact CG1-CB 4.4Å; L61-F122 HydrophobicContact CB-CB 3.83Å; L61-F122 HydrophobicContact CB-CD1 3.81Å; L61-F122 HydrophobicContact CB-CD2 3.96Å; L61-F122 HydrophobicContact CB-CE1 4.41Å; L61-F122 HydrophobicContact CB-CG 3.58Å; L61-F122 HydrophobicContact CD2-CD1 3.72Å; L61-F122 HydrophobicContact CD2-CE1 3.54Å; L61-F122 HydrophobicContact CD2-CE2 4.36Å; L61-F122 HydrophobicContact CD2-CG 4.26Å; L61-F122 HydrophobicContact CD2-CZ 3.89Å; L61-F122 HydrophobicContact CG-CD1 4.3Å; L119-F122 HydrophobicContact CB-CE1 4.34Å; L119-F122 HydrophobicContact CD1-CE1 4.41Å; P120-F122 VanDerWaalsContact O-CD1 3.24Å; P120-F122 WeakPolarHBondContact O-CD1 3.47Å; F122-T124 WeakPolarHBondContact CD2-O 3.43Å; F122-C125 HydrophobicContact CD2-CB 4.05Å; F122-C125 HydrophobicContact CE2-CB 3.69Å; F122-L141 HydrophobicContact CE2-CD2 4.28Å; F122-L141 HydrophobicContact CZ-CD2 3.7Å; F122-H144 AromaticContact CD1-NE2 3.89Å; F122-H144 AromaticContact CE1-CD2 3.51Å; F122-H144 AromaticContact CE1-CE1 3.89Å; F122-H144 AromaticContact CE1-NE2 3.41Å; F122-H144 WeakPolarHBondContact CE1-NE2 3.47Å; F122-H144 AromaticContact CZ-CD2 3.68Å; F122-F148 HydrophobicContact CD2-CB 3.62Å; F122-F148 HydrophobicContact CD2-CG 4.16Å; F122-F148 HydrophobicContact CE2-CB 3.39Å; F122-F148 AromaticContact CE2-CD1 3.52Å; F122-F148 HydrophobicContact CE2-CD1 3.52Å; F122-F148 HydrophobicContact CE2-CD2 4.18Å; F122-F148 HydrophobicContact CE2-CE1 4.32Å; F122-F148 AromaticContact CE2-CG 3.44Å; F122-F148 HydrophobicContact CE2-CG 3.44Å; F122-F148 VanDerWaalsContact CE2-CG 3.44Å; F122-F148 HydrophobicContact CZ-CB 4.23Å; F122-F148 AromaticContact CZ-CD1 3.73Å; F122-F148 HydrophobicContact CZ-CD1 3.73Å; F122-F148 HydrophobicContact CZ-CE1 4.38Å; F122-F148 HydrophobicContact CZ-CG 4.14Å; F122-F148 VanDerWaalsContact O-CB 3.24Å; F122-F148 WeakPolarHBondContact O-CB 3.24Å
123	D	98.8	Very high	94.6	Very high	38 Å²	38	45.3 Å²	45.3	20%	0.203	23%	0.23	C	C	.	.	S	Bend	trans	-80.3	-38.5	175.1	-62.7	-82.8	0	0	0	111.1	D58 V59 F121 R149	D58-D123 WeakPolarHBondContact CA-OD2 3.24Å; D58-D123 HydrophobicContact CB-CB 3.92Å; V59-D123 PolarHBondContact N-OD2 2.85Å; V59-D123 PolarHBondContact O-N 2.89Å; F121-D123 WeakPolarHBondContact CZ-OD1 3.42Å; D123-R149 VanDerWaalsContact O-CB 3.32Å; D123-R149 WeakPolarHBondContact O-CB 3.29Å; D123-R149 PolarHBondContact O-N 3.2Å
124	T	98.8	Very high	94.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.5	179.7	57.8	0	0	0	0	112.4	L54 V59 V60 L61 F122 C150	L54-T124 HydrophobicContact CD2-CG2 4.35Å; L54-T124 WeakPolarHBondContact CD2-OG1 3.33Å; V59-T124 PolarHBondContact O-N 3.43Å; V60-T124 CarbonylContact C-O 3.6Å; V60-T124 WeakPolarHBondContact CA-O 3.16Å; L61-T124 PolarHBondContact N-O 3.41Å; F122-T124 WeakPolarHBondContact CD2-O 3.43Å; T124-C150 VanDerWaalsContact CA-O 3.24Å; T124-C150 WeakPolarHBondContact CA-O 3.39Å
125	C	98.7	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139	173.8	178.5	0	0	0	0	110.6	L61 F122 C150 A151 I152	L61-C125 HydrophobicContact CB-CB 4.36Å; L61-C125 CarbonylContact O-C 3.55Å; L61-C125 VanDerWaalsContact O-CA 3.24Å; L61-C125 WeakPolarHBondContact O-CA 3.43Å; F122-C125 HydrophobicContact CD2-CB 4.05Å; F122-C125 HydrophobicContact CE2-CB 3.69Å; C125-C150 PolarHBondContact N-O 2.82Å; C125-C150 VanDerWaalsContact N-O 3.08Å; C125-A151 HydrophobicContact CB-CB 3.95Å; C125-A151 CarbonylContact O-C 3.49Å; C125-A151 VanDerWaalsContact O-CA 3.26Å; C125-A151 WeakPolarHBondContact O-CA 3.28Å; C125-I152 PolarHBondContact O-N 2.92Å
126	V	98.3	Very high	94.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134	167.8	-170.5	0	0	0	0	108.8	I48 A52 V60 L61 E62 V63 M70 L74 I152	I48-V126 HydrophobicContact CG2-CG1 3.52Å; A52-V126 HydrophobicContact CB-CG2 4.45Å; V60-V126 HydrophobicContact CG1-CG2 4.37Å; L61-V126 PolarHBondContact O-N 3.48Å; E62-V126 CarbonylContact C-O 3.55Å; E62-V126 VanDerWaalsContact CA-O 3.28Å; E62-V126 WeakPolarHBondContact CA-O 3.49Å; V63-V126 PolarHBondContact N-O 3.09Å; M70-V126 HydrophobicContact CE-CG1 4.29Å; M70-V126 HydrophobicContact SD-CB 4.21Å; M70-V126 HydrophobicContact SD-CG1 3.25Å; M70-V126 WeakPolarHBondContact SD-CG1 3.34Å; L74-V126 HydrophobicContact CD2-CG2 4.49Å; V126-I152 WeakPolarHBondContact CA-O 3.37Å
127	A	95	Very high	94.3	Very high	8 Å²	8	37.5 Å²	37.5	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.2	-177.1	0	0	0	0	0	113.6	V63 L129 F137 I152 L153 M154	V63-A127 HydrophobicContact CB-CB 4.01Å; V63-A127 WeakPolarHBondContact O-CA 3.28Å; A127-L129 HydrophobicContact CB-CD1 4.28Å; A127-L129 HydrophobicContact CB-CG 4.15Å; A127-F137 HydrophobicContact CB-CE1 4Å; A127-F137 HydrophobicContact CB-CZ 4.49Å; A127-I152 PolarHBondContact N-O 2.8Å; A127-L153 HydrophobicContact CB-CD2 3.52Å; A127-M154 PolarHBondContact O-N 3.06Å
128	N	89.6	Confident	94.3	Very high	33 Å²	33	36.1 Å²	36.1	18%	0.176	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	70.9	166.8	177.2	28.6	0	0	0	109	H37 V63 M154	H37-N128 PolarHBondContact O-ND2 3.3Å; V63-N128 PolarHBondContact O-N 3.21Å; V63-N128 VanDerWaalsContact O-N 3.15Å; N128-M154 HydrophobicContact CB-CE 3.85Å; N128-M154 WeakPolarHBondContact OD1-CE 3.41Å
129	L	82.8	Confident	94.2	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.058	17%	0.165	C	C	.	.			trans	-85.7	153.7	-173	-75.6	172.9	0	0	0	113	V63 A127 Y131 I133 F137	V63-L129 HydrophobicContact CB-CD1 4.44Å; V63-L129 HydrophobicContact CB-CD2 4.11Å; V63-L129 HydrophobicContact CB-CG 4.31Å; V63-L129 HydrophobicContact CG1-CD1 4.02Å; V63-L129 HydrophobicContact CG1-CD2 3.31Å; V63-L129 HydrophobicContact CG1-CG 3.94Å; A127-L129 HydrophobicContact CB-CD1 4.28Å; A127-L129 HydrophobicContact CB-CG 4.15Å; L129-Y131 PolarHBondContact O-N 3.21Å; L129-I133 HydrophobicContact CB-CD1 4.31Å; L129-I133 HydrophobicContact CB-CG1 4.27Å; L129-I133 HydrophobicContact CD1-CD1 4.15Å; L129-I133 HydrophobicContact CD2-CD1 3.77Å; L129-I133 HydrophobicContact CG-CD1 4.29Å; L129-F137 HydrophobicContact CD1-CB 3.91Å; L129-F137 HydrophobicContact CD1-CD1 3.23Å; L129-F137 HydrophobicContact CD1-CD2 3.78Å; L129-F137 HydrophobicContact CD1-CE1 3.56Å; L129-F137 HydrophobicContact CD1-CE2 4.1Å; L129-F137 HydrophobicContact CD1-CG 3.34Å; L129-F137 HydrophobicContact CD1-CZ 3.99Å
130	P	85.4	Confident	94.2	Very high	37 Å²	37	32.3 Å²	32.3	24%	0.24	17%	0.17	C	C	.	.			trans	-52.6	134.6	162	-24.7	35.5	0	0	0	110.8	I34 Q132 I133	I34-P130 WeakPolarHBondContact O-CG 3.21Å; P130-Q132 PolarHBondContact O-N 2.99Å; P130-Q132 VanDerWaalsContact O-N 3.1Å; P130-I133 VanDerWaalsContact O-CG1 3.24Å; P130-I133 WeakPolarHBondContact O-CG1 3.3Å; P130-I133 PolarHBondContact O-N 3.5Å
131	Y	86.6	Confident	94.2	Very high	34 Å²	34	30.1 Å²	30.1	13%	0.133	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-63.2	-26.3	-170.4	-54.5	-48.3	0	0	0	113.9	L129 I133 S134 Q156 P200 V202 S204	L129-Y131 PolarHBondContact O-N 3.21Å; Y131-I133 PolarHBondContact O-N 3.48Å; Y131-S134 WeakPolarHBondContact CA-OG 3.35Å; Y131-S134 WeakPolarHBondContact O-CB 3.26Å; Y131-S134 PolarHBondContact O-N 3.05Å; Y131-S134 PolarHBondContact O-OG 3.32Å; Y131-Q156 HydrophobicContact CD1-CB 4.41Å; Y131-Q156 HydrophobicContact CD1-CG 3.41Å; Y131-Q156 VanDerWaalsContact CD1-CG 3.41Å; Y131-Q156 VanDerWaalsContact CD2-CD 3.48Å; Y131-Q156 HydrophobicContact CD2-CG 3.27Å; Y131-Q156 HydrophobicContact CE1-CG 3.69Å; Y131-Q156 HydrophobicContact CE2-CG 3.53Å; Y131-Q156 HydrophobicContact CG-CB 4.49Å; Y131-Q156 HydrophobicContact CG-CG 3.15Å; Y131-P200 HydrophobicContact CE2-CB 4.31Å; Y131-V202 HydrophobicContact CE2-CG2 3.93Å; Y131-S204 PolarHBondContact OH-OG 3Å
132	Q	88.4	Confident	94	Very high	129 Å²	129	26 Å²	26	60%	0.603	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-60.9	-27.9	-179.7	-58.9	91.4	-38	0	0	112.9	P130	P130-Q132 PolarHBondContact O-N 2.99Å; P130-Q132 VanDerWaalsContact O-N 3.1Å
133	I	92	Very high	93.7	Very high	43 Å²	43	30.7 Å²	30.7	22%	0.221	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-103.8	7.8	-178.7	61.9	161.6	0	0	0	113.3	V114 L115 L129 P130 Y131 S135 P136 F137	V114-I133 HydrophobicContact CG1-CD1 4.3Å; L115-I133 HydrophobicContact CD1-CB 4.08Å; L115-I133 HydrophobicContact CD1-CG2 3.96Å; L129-I133 HydrophobicContact CB-CD1 4.31Å; L129-I133 HydrophobicContact CB-CG1 4.27Å; L129-I133 HydrophobicContact CD1-CD1 4.15Å; L129-I133 HydrophobicContact CD2-CD1 3.77Å; L129-I133 HydrophobicContact CG-CD1 4.29Å; P130-I133 VanDerWaalsContact O-CG1 3.24Å; P130-I133 WeakPolarHBondContact O-CG1 3.3Å; P130-I133 PolarHBondContact O-N 3.5Å; Y131-I133 PolarHBondContact O-N 3.48Å; I133-S135 PolarHBondContact O-N 3.19Å; I133-P136 HydrophobicContact CB-CG 4.4Å; I133-P136 VanDerWaalsContact O-CD 3.31Å; I133-P136 WeakPolarHBondContact O-CD 3.5Å; I133-P136 WeakPolarHBondContact O-CG 3.32Å; I133-F137 WeakPolarHBondContact O-CB 3.47Å; I133-F137 PolarHBondContact O-N 2.94Å
134	S	93.6	Very high	93.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-50.3	-176.2	-53	0	0	0	0	112.5	Y131 F137 V138 F155	Y131-S134 WeakPolarHBondContact CA-OG 3.35Å; Y131-S134 WeakPolarHBondContact O-CB 3.26Å; Y131-S134 PolarHBondContact O-N 3.05Å; Y131-S134 PolarHBondContact O-OG 3.32Å; S134-F137 PolarHBondContact O-N 2.87Å; S134-V138 WeakPolarHBondContact O-CG2 3.41Å; S134-V138 PolarHBondContact O-N 3.39Å; S134-F155 WeakPolarHBondContact OG-CD1 3.15Å
135	S	93.9	Very high	93.5	Very high	45 Å²	45	35.3 Å²	35.3	32%	0.315	18%	0.178	S	C	.	.	H	α-helix	trans	-62.6	-54.6	-178.4	-165.2	0	0	0	0	113	I133 F137 V138 F139	I133-S135 PolarHBondContact O-N 3.19Å; S135-F137 VanDerWaalsContact C-N 3.26Å; S135-F137 PolarHBondContact O-N 3.34Å; S135-V138 PolarHBondContact O-N 3.21Å; S135-F139 VanDerWaalsContact O-CD2 3.24Å; S135-F139 WeakPolarHBondContact O-CD2 3.23Å; S135-F139 PolarHBondContact O-N 2.81Å
136	P	95.6	Very high	93.4	Very high	61 Å²	61	39.1 Å²	39.1	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-62.9	-33.6	179.1	23.8	-33.6	0	0	0	112.3	L115 I133 F139 K140	L115-P136 HydrophobicContact CD1-CB 4.05Å; L115-P136 HydrophobicContact CD1-CG 3.8Å; L115-P136 HydrophobicContact CD2-CB 4.08Å; L115-P136 HydrophobicContact CD2-CG 4.29Å; I133-P136 HydrophobicContact CB-CG 4.4Å; I133-P136 VanDerWaalsContact O-CD 3.31Å; I133-P136 WeakPolarHBondContact O-CD 3.5Å; I133-P136 WeakPolarHBondContact O-CG 3.32Å; P136-F139 PolarHBondContact O-N 3.21Å; P136-K140 WeakPolarHBondContact O-CB 3.13Å; P136-K140 PolarHBondContact O-N 3.44Å
137	F	97	Very high	93.4	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-42.1	176.9	-176.5	-109	0	0	0	112.9	V63 V114 L115 A127 L129 I133 S134 S135 F139 K140 L141 L153	V63-F137 HydrophobicContact CB-CE2 4.49Å; V63-F137 HydrophobicContact CB-CZ 4.14Å; V63-F137 HydrophobicContact CG1-CE2 4.31Å; V63-F137 HydrophobicContact CG1-CZ 4.41Å; V63-F137 HydrophobicContact CG2-CE2 3.94Å; V63-F137 HydrophobicContact CG2-CZ 3.59Å; V114-F137 HydrophobicContact CG1-CD2 4.01Å; V114-F137 HydrophobicContact CG1-CE2 4.25Å; V114-F137 HydrophobicContact CG2-CD2 4.31Å; V114-F137 HydrophobicContact CG2-CE2 3.81Å; L115-F137 HydrophobicContact CD2-CB 3.98Å; L115-F137 HydrophobicContact CD2-CD2 4.4Å; A127-F137 HydrophobicContact CB-CE1 4Å; A127-F137 HydrophobicContact CB-CZ 4.49Å; L129-F137 HydrophobicContact CD1-CB 3.91Å; L129-F137 HydrophobicContact CD1-CD1 3.23Å; L129-F137 HydrophobicContact CD1-CD2 3.78Å; L129-F137 HydrophobicContact CD1-CE1 3.56Å; L129-F137 HydrophobicContact CD1-CE2 4.1Å; L129-F137 HydrophobicContact CD1-CG 3.34Å; L129-F137 HydrophobicContact CD1-CZ 3.99Å; I133-F137 WeakPolarHBondContact O-CB 3.47Å; I133-F137 PolarHBondContact O-N 2.94Å; S134-F137 PolarHBondContact O-N 2.87Å; S135-F137 VanDerWaalsContact C-N 3.26Å; S135-F137 PolarHBondContact O-N 3.34Å; F137-F139 VanDerWaalsContact C-N 3.33Å; F137-F139 PolarHBondContact O-N 3.12Å; F137-K140 PolarHBondContact O-N 2.98Å; F137-L141 HydrophobicContact CD1-CD1 4Å; F137-L141 HydrophobicContact CD1-CG 4.39Å; F137-L141 HydrophobicContact CE1-CD1 3.43Å; F137-L141 VanDerWaalsContact CE1-CD1 3.43Å; F137-L141 HydrophobicContact CE1-CD2 4.49Å; F137-L141 HydrophobicContact CE1-CG 3.95Å; F137-L141 HydrophobicContact CE2-CD2 4.41Å; F137-L141 HydrophobicContact CE2-CG 4.3Å; F137-L141 HydrophobicContact CZ-CD1 3.78Å; F137-L141 HydrophobicContact CZ-CD2 4Å; F137-L141 HydrophobicContact CZ-CG 3.88Å; F137-L141 PolarHBondContact O-N 3.21Å; F137-L153 HydrophobicContact CE1-CD2 4.07Å
138	V	97	Very high	93.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-47.1	174.2	167.8	0	0	0	0	110.6	S134 S135 K140 L141 L142 F155 F159 L163 T179 I209	S134-V138 WeakPolarHBondContact O-CG2 3.41Å; S134-V138 PolarHBondContact O-N 3.39Å; S135-V138 PolarHBondContact O-N 3.21Å; V138-K140 PolarHBondContact O-N 3.31Å; V138-L141 PolarHBondContact O-N 3.39Å; V138-L142 HydrophobicContact CG1-CD1 3.94Å; V138-L142 HydrophobicContact CG1-CG 4.38Å; V138-L142 WeakPolarHBondContact O-CG 3.3Å; V138-L142 PolarHBondContact O-N 2.87Å; V138-F155 HydrophobicContact CG2-CE1 4.18Å; V138-F155 HydrophobicContact CG2-CE2 4.25Å; V138-F155 HydrophobicContact CG2-CZ 3.5Å; V138-F155 VanDerWaalsContact CG2-CZ 3.5Å; V138-F159 HydrophobicContact CG2-CE1 4.39Å; V138-L163 HydrophobicContact CG1-CD2 4.48Å; V138-T179 HydrophobicContact CG1-CG2 4.18Å; V138-I209 HydrophobicContact CG1-CD1 4.25Å; V138-I209 HydrophobicContact CG2-CD1 4.25Å
139	F	94.4	Very high	94	Very high	40 Å²	40	42.4 Å²	42.4	18%	0.175	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-39	177.3	-75.8	-68.7	0	0	0	112.7	S135 P136 F137 L141 L142 L143 L175 N178 F220	S135-F139 VanDerWaalsContact O-CD2 3.24Å; S135-F139 WeakPolarHBondContact O-CD2 3.23Å; S135-F139 PolarHBondContact O-N 2.81Å; P136-F139 PolarHBondContact O-N 3.21Å; F137-F139 VanDerWaalsContact C-N 3.33Å; F137-F139 PolarHBondContact O-N 3.12Å; F139-L141 VanDerWaalsContact C-N 3.29Å; F139-L141 PolarHBondContact O-N 3.08Å; F139-L142 HydrophobicContact CD1-CD1 4.46Å; F139-L142 PolarHBondContact O-N 2.85Å; F139-L143 WeakPolarHBondContact O-CB 3.41Å; F139-L143 WeakPolarHBondContact O-CG 3.24Å; F139-L143 PolarHBondContact O-N 3.22Å; F139-L175 HydrophobicContact CE2-CD1 4.15Å; F139-L175 HydrophobicContact CZ-CD1 4.41Å; F139-N178 HydrophobicContact CE1-CB 3.86Å; F139-N178 HydrophobicContact CZ-CB 3.9Å; F139-F220 HydrophobicContact CD1-CE1 4.47Å; F139-F220 AromaticContact CD1-CZ 3.95Å; F139-F220 HydrophobicContact CD1-CZ 3.95Å; F139-F220 HydrophobicContact CE1-CE1 4.44Å; F139-F220 HydrophobicContact CE1-CE2 4.32Å; F139-F220 AromaticContact CE1-CZ 3.59Å; F139-F220 HydrophobicContact CE1-CZ 3.59Å
140	K	96.9	Very high	94.7	Very high	51 Å²	51	41.9 Å²	41.9	22%	0.222	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-41.4	173.8	-172.7	178.9	176.1	93	0	111.6	V114 L115 T117 L119 P136 F137 V138 H144	V114-K140 WeakPolarHBondContact O-CD 3.32Å; V114-K140 WeakPolarHBondContact O-CE 3.17Å; L115-K140 PolarHBondContact O-NZ 2.9Å; T117-K140 VanDerWaalsContact O-CE 3.26Å; T117-K140 WeakPolarHBondContact O-CE 3.43Å; T117-K140 PolarHBondContact O-NZ 3.48Å; L119-K140 HydrophobicContact CD1-CD 4.18Å; L119-K140 HydrophobicContact CD1-CG 4.33Å; P136-K140 WeakPolarHBondContact O-CB 3.13Å; P136-K140 PolarHBondContact O-N 3.44Å; F137-K140 PolarHBondContact O-N 2.98Å; V138-K140 PolarHBondContact O-N 3.31Å; K140-H144 PolarHBondContact O-N 2.93Å; K140-H144 VanDerWaalsContact O-N 3.08Å
141	L	97.3	Very high	95.4	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-49.5	174.5	-72.8	179.2	0	0	0	111.9	F122 F137 V138 F139 L143 H144 F148 A151 L153	F122-L141 HydrophobicContact CE2-CD2 4.28Å; F122-L141 HydrophobicContact CZ-CD2 3.7Å; F137-L141 HydrophobicContact CD1-CD1 4Å; F137-L141 HydrophobicContact CD1-CG 4.39Å; F137-L141 HydrophobicContact CE1-CD1 3.43Å; F137-L141 VanDerWaalsContact CE1-CD1 3.43Å; F137-L141 HydrophobicContact CE1-CD2 4.49Å; F137-L141 HydrophobicContact CE1-CG 3.95Å; F137-L141 HydrophobicContact CE2-CD2 4.41Å; F137-L141 HydrophobicContact CE2-CG 4.3Å; F137-L141 HydrophobicContact CZ-CD1 3.78Å; F137-L141 HydrophobicContact CZ-CD2 4Å; F137-L141 HydrophobicContact CZ-CG 3.88Å; F137-L141 PolarHBondContact O-N 3.21Å; V138-L141 PolarHBondContact O-N 3.39Å; F139-L141 VanDerWaalsContact C-N 3.29Å; F139-L141 PolarHBondContact O-N 3.08Å; L141-L143 PolarHBondContact O-N 3.02Å; L141-H144 VanDerWaalsContact O-CB 3.29Å; L141-H144 WeakPolarHBondContact O-CB 3.43Å; L141-H144 PolarHBondContact O-N 2.65Å; L141-F148 HydrophobicContact CB-CE1 3.99Å; L141-F148 HydrophobicContact CB-CZ 4.12Å; L141-F148 HydrophobicContact CD2-CE1 4.28Å; L141-F148 WeakPolarHBondContact O-CE1 3.39Å; L141-A151 HydrophobicContact CD1-CB 4.23Å; L141-L153 HydrophobicContact CD1-CD1 3.75Å; L141-L153 HydrophobicContact CD1-CD2 4.16Å
142	L	95.3	Very high	96	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-30.4	-178.4	-65.9	173.2	0	0	0	113	V138 F139 R145 T179 L182 A183 I209	V138-L142 HydrophobicContact CG1-CD1 3.94Å; V138-L142 HydrophobicContact CG1-CG 4.38Å; V138-L142 WeakPolarHBondContact O-CG 3.3Å; V138-L142 PolarHBondContact O-N 2.87Å; F139-L142 HydrophobicContact CD1-CD1 4.46Å; F139-L142 PolarHBondContact O-N 2.85Å; L142-R145 PolarHBondContact O-NH1 3.48Å; L142-T179 HydrophobicContact CD1-CG2 4.15Å; L142-L182 HydrophobicContact CB-CB 4.37Å; L142-L182 HydrophobicContact CB-CD1 3.92Å; L142-L182 HydrophobicContact CD1-CB 4.29Å; L142-L182 HydrophobicContact CD1-CD1 4.18Å; L142-L182 HydrophobicContact CD2-CB 4.05Å; L142-L182 HydrophobicContact CG-CB 4.46Å; L142-A183 HydrophobicContact CD2-CB 3.56Å; L142-I209 HydrophobicContact CD2-CG2 4.07Å
143	L	93.2	Very high	96.4	Very high	99 Å²	99	32.5 Å²	32.5	52%	0.518	16%	0.163	S	C	.	.	H	α-helix	trans	-88.9	-9.6	176.7	-62.2	178.5	0	0	0	113.8	F139 L141	F139-L143 WeakPolarHBondContact O-CB 3.41Å; F139-L143 WeakPolarHBondContact O-CG 3.24Å; F139-L143 PolarHBondContact O-N 3.22Å; L141-L143 PolarHBondContact O-N 3.02Å
144	H	96.7	Very high	96.6	Very high	20 Å²	20	30.6 Å²	30.6	9%	0.093	15%	0.154	C	C	.	.			trans	-63.9	140.7	-179.8	178.4	69.3	0	0	0	111.5	L119 P120 F122 K140 L141 P146	L119-H144 PolarHBondContact O-CE1 3.21Å; P120-H144 PolarHBondContact O-CE1 3.44Å; P120-H144 PolarHBondContact O-NE2 2.86Å; F122-H144 AromaticContact CD1-NE2 3.89Å; F122-H144 AromaticContact CE1-CD2 3.51Å; F122-H144 AromaticContact CE1-CE1 3.89Å; F122-H144 AromaticContact CE1-NE2 3.41Å; F122-H144 WeakPolarHBondContact CE1-NE2 3.47Å; F122-H144 AromaticContact CZ-CD2 3.68Å; K140-H144 PolarHBondContact O-N 2.93Å; K140-H144 VanDerWaalsContact O-N 3.08Å; L141-H144 VanDerWaalsContact O-CB 3.29Å; L141-H144 WeakPolarHBondContact O-CB 3.43Å; L141-H144 PolarHBondContact O-N 2.65Å; H144-P146 PolarHBondContact CD2-O 3.41Å; H144-P146 PolarHBondContact NE2-O 2.76Å
145	R	95.6	Very high	96.8	Very high	117 Å²	117	30.7 Å²	30.7	44%	0.442	15%	0.154	S	C	.	.	S	Bend	trans	-134.6	145.9	173.3	-62.7	-63.7	-179.3	-86.2	-1.9	109.4	L142 F147	L142-R145 PolarHBondContact O-NH1 3.48Å; R145-F147 VanDerWaalsContact CZ-CE1 3.44Å; R145-F147 VanDerWaalsContact NH1-CE1 3.35Å
146	P	97.4	Very high	96.9	Very high	79 Å²	79	31.6 Å²	31.6	51%	0.513	15%	0.153	S	C	.	.	S	Bend	cis	-60.1	165.3	-8	-21	33.3	0	0	0	113.6	F121 H144 F148	F121-P146 HydrophobicContact CD2-CB 4.06Å; F121-P146 HydrophobicContact CD2-CG 4.11Å; F121-P146 HydrophobicContact CE2-CB 4.39Å; H144-P146 PolarHBondContact CD2-O 3.41Å; H144-P146 PolarHBondContact NE2-O 2.76Å; P146-F148 PolarHBondContact O-N 3.3Å
147	F	97.7	Very high	97	Very high	45 Å²	45	31.1 Å²	31.1	20%	0.197	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-66.5	135.8	-180	-77.1	-70.1	0	0	0	111.6	R145 P211 N213 P215	R145-F147 VanDerWaalsContact CZ-CE1 3.44Å; R145-F147 VanDerWaalsContact NH1-CE1 3.35Å; F147-P211 HydrophobicContact CD1-CB 3.59Å; F147-P211 HydrophobicContact CD1-CG 4.34Å; F147-P211 HydrophobicContact CE1-CB 3.94Å; F147-N213 HydrophobicContact CD2-CB 4.05Å; F147-N213 VanDerWaalsContact CD2-CG 3.5Å; F147-N213 WeakPolarHBondContact CD2-OD1 3.43Å; F147-N213 HydrophobicContact CE2-CB 4.34Å; F147-N213 HydrophobicContact CG-CB 4.3Å; F147-P215 HydrophobicContact CZ-CB 4.37Å; F147-P215 HydrophobicContact CZ-CG 3.87Å
148	F	98.6	Very high	97	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.035	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-86.4	158.8	165.6	64.9	-91.8	0	0	0	110.5	F122 L141 P146 A151 P211	F122-F148 HydrophobicContact CD2-CB 3.62Å; F122-F148 HydrophobicContact CD2-CG 4.16Å; F122-F148 HydrophobicContact CE2-CB 3.39Å; F122-F148 AromaticContact CE2-CD1 3.52Å; F122-F148 HydrophobicContact CE2-CD1 3.52Å; F122-F148 HydrophobicContact CE2-CD2 4.18Å; F122-F148 HydrophobicContact CE2-CE1 4.32Å; F122-F148 AromaticContact CE2-CG 3.44Å; F122-F148 HydrophobicContact CE2-CG 3.44Å; F122-F148 VanDerWaalsContact CE2-CG 3.44Å; F122-F148 HydrophobicContact CZ-CB 4.23Å; F122-F148 AromaticContact CZ-CD1 3.73Å; F122-F148 HydrophobicContact CZ-CD1 3.73Å; F122-F148 HydrophobicContact CZ-CE1 4.38Å; F122-F148 HydrophobicContact CZ-CG 4.14Å; F122-F148 VanDerWaalsContact O-CB 3.24Å; F122-F148 WeakPolarHBondContact O-CB 3.24Å; L141-F148 HydrophobicContact CB-CE1 3.99Å; L141-F148 HydrophobicContact CB-CZ 4.12Å; L141-F148 HydrophobicContact CD2-CE1 4.28Å; L141-F148 WeakPolarHBondContact O-CE1 3.39Å; P146-F148 PolarHBondContact O-N 3.3Å; F148-A151 HydrophobicContact CD2-CB 4.34Å; F148-A151 HydrophobicContact CE2-CB 3.56Å; F148-A151 HydrophobicContact CZ-CB 4.08Å; F148-P211 HydrophobicContact CD1-CG 4.04Å; F148-P211 HydrophobicContact CD2-CG 3.99Å; F148-P211 HydrophobicContact CE1-CG 3.59Å; F148-P211 HydrophobicContact CE2-CG 3.53Å; F148-P211 HydrophobicContact CG-CG 4.22Å; F148-P211 HydrophobicContact CZ-CG 3.32Å
149	R	98.4	Very high	97	Very high	60 Å²	60	36.1 Å²	36.1	23%	0.226	17%	0.167	C	C	.	.	S	Bend	trans	-72.3	-55.3	179.4	-178.1	-176.1	70	-135.7	6	112	A52 A53 D58 D123	A52-R149 PolarHBondContact O-NH2 2.69Å; A52-R149 VanDerWaalsContact O-NH2 3.12Å; A53-R149 PolarHBondContact O-NH2 2.71Å; D58-R149 IonicContact OD1-NH1 2.71Å; D58-R149 PolarHBondContact OD1-NH1 2.88Å; D58-R149 IonicContact OD2-CZ 2.68Å; D58-R149 VanDerWaalsContact OD2-CZ 3.31Å; D58-R149 IonicContact OD2-NH1 3.35Å; D58-R149 PolarHBondContact OD2-NH1 3.05Å; D58-R149 IonicContact OD2-NH2 3.14Å; D58-R149 PolarHBondContact OD2-NH2 2.9Å; D123-R149 VanDerWaalsContact O-CB 3.32Å; D123-R149 WeakPolarHBondContact O-CB 3.29Å; D123-R149 PolarHBondContact O-N 3.2Å
150	C	98.5	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.2	-179.3	63.7	0	0	0	0	112.9	T124 C125 I209 E210	T124-C150 VanDerWaalsContact CA-O 3.24Å; T124-C150 WeakPolarHBondContact CA-O 3.39Å; C125-C150 PolarHBondContact N-O 2.82Å; C125-C150 VanDerWaalsContact N-O 3.08Å; C150-I209 CarbonylContact C-O 3.5Å; C150-I209 WeakPolarHBondContact CA-O 3.33Å; C150-E210 HydrophobicContact CB-CG 3.94Å
151	A	98.8	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130	173.7	0	0	0	0	0	110.2	C125 L141 F148 L153 R208 I209	C125-A151 HydrophobicContact CB-CB 3.95Å; C125-A151 CarbonylContact O-C 3.49Å; C125-A151 VanDerWaalsContact O-CA 3.26Å; C125-A151 WeakPolarHBondContact O-CA 3.28Å; L141-A151 HydrophobicContact CD1-CB 4.23Å; F148-A151 HydrophobicContact CD2-CB 4.34Å; F148-A151 HydrophobicContact CE2-CB 3.56Å; F148-A151 HydrophobicContact CZ-CB 4.08Å; A151-L153 HydrophobicContact CB-CD1 4.18Å; A151-L153 HydrophobicContact CB-CD2 4Å; A151-L153 HydrophobicContact CB-CG 3.98Å; A151-R208 CarbonylContact O-C 3.55Å; A151-R208 WeakPolarHBondContact O-CA 3.47Å; A151-I209 HydrophobicContact CB-CB 4.4Å; A151-I209 PolarHBondContact N-O 3.03Å; A151-I209 PolarHBondContact O-N 3.32Å
152	I	98.6	Very high	97.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.9	176	-51.2	-59.7	0	0	0	108.2	I48 K51 A52 C125 V126 A127 L188 V206 R208	I48-I152 HydrophobicContact CB-CG2 4.5Å; I48-I152 HydrophobicContact CG2-CB 4.48Å; I48-I152 HydrophobicContact CG2-CG2 3.84Å; K51-I152 HydrophobicContact CB-CD1 4.44Å; A52-I152 HydrophobicContact CB-CG1 3.81Å; C125-I152 PolarHBondContact O-N 2.92Å; V126-I152 WeakPolarHBondContact CA-O 3.37Å; A127-I152 PolarHBondContact N-O 2.8Å; I152-L188 HydrophobicContact CD1-CD1 3.91Å; I152-L188 HydrophobicContact CG2-CD1 4.19Å; I152-V206 HydrophobicContact CG2-CG1 3.37Å; I152-R208 HydrophobicContact CD1-CB 4.03Å; I152-R208 HydrophobicContact CD1-CG 3.8Å
153	L	98.1	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	-165.7	-51.9	178.9	0	0	0	110.4	A127 F137 L141 A151 F155 V206 V207 I209	A127-L153 HydrophobicContact CB-CD2 3.52Å; F137-L153 HydrophobicContact CE1-CD2 4.07Å; L141-L153 HydrophobicContact CD1-CD1 3.75Å; L141-L153 HydrophobicContact CD1-CD2 4.16Å; A151-L153 HydrophobicContact CB-CD1 4.18Å; A151-L153 HydrophobicContact CB-CD2 4Å; A151-L153 HydrophobicContact CB-CG 3.98Å; L153-F155 HydrophobicContact CB-CD2 4.31Å; L153-F155 HydrophobicContact CB-CE1 4.4Å; L153-F155 HydrophobicContact CB-CE2 3.55Å; L153-F155 HydrophobicContact CB-CZ 3.6Å; L153-F155 HydrophobicContact CD1-CE2 4.02Å; L153-F155 HydrophobicContact CD1-CZ 3.65Å; L153-F155 HydrophobicContact CG-CE2 4.44Å; L153-F155 HydrophobicContact CG-CZ 4.28Å; L153-V206 CarbonylContact O-C 3.52Å; L153-V206 WeakPolarHBondContact O-CA 3.23Å; L153-V207 PolarHBondContact N-O 2.79Å; L153-V207 PolarHBondContact O-N 2.85Å; L153-I209 HydrophobicContact CD1-CD1 3.73Å; L153-I209 HydrophobicContact CD1-CG1 4.35Å
154	M	96.8	Very high	97.7	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.6	174.1	-169.1	154.2	58.9	0	0	111.2	L39 A127 N128 V191 F196 S205 V206	L39-M154 HydrophobicContact CB-CE 4.3Å; L39-M154 HydrophobicContact CD1-CE 4.34Å; L39-M154 HydrophobicContact CD2-CE 4.05Å; L39-M154 HydrophobicContact CG-CE 4.46Å; A127-M154 PolarHBondContact O-N 3.06Å; N128-M154 HydrophobicContact CB-CE 3.85Å; N128-M154 WeakPolarHBondContact OD1-CE 3.41Å; M154-V191 HydrophobicContact SD-CB 4.3Å; M154-V191 HydrophobicContact SD-CG1 4.18Å; M154-V191 HydrophobicContact SD-CG2 4.15Å; M154-F196 HydrophobicContact CE-CE1 3.41Å; M154-F196 VanDerWaalsContact CE-CE1 3.41Å; M154-F196 HydrophobicContact CE-CZ 3.56Å; M154-F196 HydrophobicContact SD-CE1 4.15Å; M154-F196 HydrophobicContact SD-CZ 3.64Å; M154-S205 WeakPolarHBondContact CA-O 3.24Å; M154-V206 HydrophobicContact SD-CG2 4.43Å
155	F	96.6	Very high	97.7	Very high	3 Å²	3	34 Å²	34	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	168.8	-179.6	-61.8	-59.2	0	0	0	111.7	S134 V138 L153 F159 A160 L163 S204 S205 V207	S134-F155 WeakPolarHBondContact OG-CD1 3.15Å; V138-F155 HydrophobicContact CG2-CE1 4.18Å; V138-F155 HydrophobicContact CG2-CE2 4.25Å; V138-F155 HydrophobicContact CG2-CZ 3.5Å; V138-F155 VanDerWaalsContact CG2-CZ 3.5Å; L153-F155 HydrophobicContact CB-CD2 4.31Å; L153-F155 HydrophobicContact CB-CE1 4.4Å; L153-F155 HydrophobicContact CB-CE2 3.55Å; L153-F155 HydrophobicContact CB-CZ 3.6Å; L153-F155 HydrophobicContact CD1-CE2 4.02Å; L153-F155 HydrophobicContact CD1-CZ 3.65Å; L153-F155 HydrophobicContact CG-CE2 4.44Å; L153-F155 HydrophobicContact CG-CZ 4.28Å; F155-F159 HydrophobicContact CB-CB 4.44Å; F155-F159 HydrophobicContact CB-CD1 3.81Å; F155-F159 AromaticContact CD1-CD1 3.81Å; F155-F159 HydrophobicContact CD1-CD1 3.81Å; F155-F159 AromaticContact CD1-CE1 3.87Å; F155-F159 HydrophobicContact CD1-CE1 3.87Å; F155-F159 HydrophobicContact CD2-CD1 4.02Å; F155-F159 HydrophobicContact CD2-CE1 4.2Å; F155-F159 HydrophobicContact CE1-CD1 4.37Å; F155-F159 AromaticContact CE1-CE1 3.96Å; F155-F159 HydrophobicContact CE1-CE1 3.96Å; F155-F159 HydrophobicContact CE2-CE1 4.27Å; F155-F159 AromaticContact CG-CD1 3.61Å; F155-F159 HydrophobicContact CG-CD1 3.61Å; F155-F159 AromaticContact CG-CE1 4Å; F155-F159 HydrophobicContact CG-CE1 4Å; F155-F159 HydrophobicContact CZ-CE1 4.16Å; F155-A160 HydrophobicContact CB-CB 4.24Å; F155-L163 HydrophobicContact CD2-CD1 3.63Å; F155-L163 HydrophobicContact CE2-CD1 3.48Å; F155-L163 VanDerWaalsContact CE2-CD1 3.48Å; F155-L163 HydrophobicContact CZ-CD1 4.36Å; F155-S204 CarbonylContact O-C 3.45Å; F155-S204 WeakPolarHBondContact O-CA 3.45Å; F155-S204 WeakPolarHBondContact O-CB 3.24Å; F155-S205 PolarHBondContact N-O 3.36Å; F155-S205 PolarHBondContact O-N 3.48Å; F155-V207 HydrophobicContact CD2-CB 4.31Å; F155-V207 HydrophobicContact CD2-CG2 4.26Å; F155-V207 HydrophobicContact CE2-CB 4.47Å
156	Q	96.3	Very high	97.9	Very high	64 Å²	64	35.5 Å²	35.5	30%	0.299	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	147.1	162.3	-61.7	-173.8	-30.5	0	0	110.1	Y131 E158 F159 A160 V202	Y131-Q156 HydrophobicContact CD1-CB 4.41Å; Y131-Q156 HydrophobicContact CD1-CG 3.41Å; Y131-Q156 VanDerWaalsContact CD1-CG 3.41Å; Y131-Q156 VanDerWaalsContact CD2-CD 3.48Å; Y131-Q156 HydrophobicContact CD2-CG 3.27Å; Y131-Q156 HydrophobicContact CE1-CG 3.69Å; Y131-Q156 HydrophobicContact CE2-CG 3.53Å; Y131-Q156 HydrophobicContact CG-CB 4.49Å; Y131-Q156 HydrophobicContact CG-CG 3.15Å; Q156-E158 VanDerWaalsContact C-N 3.31Å; Q156-E158 PolarHBondContact O-N 3.06Å; Q156-F159 HydrophobicContact CB-CB 4.38Å; Q156-F159 PolarHBondContact O-N 2.96Å; Q156-A160 WeakPolarHBondContact O-CB 3.29Å; Q156-A160 PolarHBondContact O-N 2.77Å; Q156-V202 HydrophobicContact CB-CG2 4.39Å; Q156-V202 HydrophobicContact CG-CG2 3.82Å
157	R	96.9	Very high	97.9	Very high	51 Å²	51	34.1 Å²	34.1	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-53.3	-47.6	-179.7	178.8	63	55.9	64.3	15.3	112.4	A160 L161 K190 E203 S204 S205	R157-A160 PolarHBondContact O-N 2.8Å; R157-L161 HydrophobicContact CG-CD1 3.97Å; R157-L161 HydrophobicContact CG-CG 4.41Å; R157-L161 WeakPolarHBondContact O-CB 3.33Å; R157-L161 VanDerWaalsContact O-CG 3.25Å; R157-L161 WeakPolarHBondContact O-CG 3.43Å; R157-L161 PolarHBondContact O-N 3.11Å; R157-K190 VanDerWaalsContact CZ-CG 3.47Å; R157-E203 HydrophobicContact CB-CB 4.05Å; R157-E203 PolarHBondContact N-O 3.01Å; R157-S204 PolarHBondContact NE-O 3.25Å; R157-S204 PolarHBondContact NH2-O 3.43Å; R157-S205 WeakPolarHBondContact CD-OG 3.36Å; R157-S205 PolarHBondContact NE-OG 3.31Å
158	E	97.3	Very high	97.9	Very high	89 Å²	89	34 Å²	34	42%	0.416	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-47.5	-178.2	-170.4	-80.6	165.4	0	0	111.6	Q156 A160 L161 R162	Q156-E158 VanDerWaalsContact C-N 3.31Å; Q156-E158 PolarHBondContact O-N 3.06Å; E158-A160 PolarHBondContact O-N 2.93Å; E158-L161 PolarHBondContact O-N 3.47Å; E158-R162 VanDerWaalsContact CD-CD 3.45Å; E158-R162 PolarHBondContact O-N 3.21Å; E158-R162 WeakPolarHBondContact OE1-CD 3.27Å; E158-R162 WeakPolarHBondContact OE2-CD 3.38Å; E158-R162 IonicContact OE2-NH1 2.7Å
159	F	97.6	Very high	97.9	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-45.2	178.1	-173.1	-88.3	0	0	0	111.8	V138 F155 Q156 L161 R162 L163 L175	V138-F159 HydrophobicContact CG2-CE1 4.39Å; F155-F159 HydrophobicContact CB-CB 4.44Å; F155-F159 HydrophobicContact CB-CD1 3.81Å; F155-F159 AromaticContact CD1-CD1 3.81Å; F155-F159 HydrophobicContact CD1-CD1 3.81Å; F155-F159 AromaticContact CD1-CE1 3.87Å; F155-F159 HydrophobicContact CD1-CE1 3.87Å; F155-F159 HydrophobicContact CD2-CD1 4.02Å; F155-F159 HydrophobicContact CD2-CE1 4.2Å; F155-F159 HydrophobicContact CE1-CD1 4.37Å; F155-F159 AromaticContact CE1-CE1 3.96Å; F155-F159 HydrophobicContact CE1-CE1 3.96Å; F155-F159 HydrophobicContact CE2-CE1 4.27Å; F155-F159 AromaticContact CG-CD1 3.61Å; F155-F159 HydrophobicContact CG-CD1 3.61Å; F155-F159 AromaticContact CG-CE1 4Å; F155-F159 HydrophobicContact CG-CE1 4Å; F155-F159 HydrophobicContact CZ-CE1 4.16Å; Q156-F159 HydrophobicContact CB-CB 4.38Å; Q156-F159 PolarHBondContact O-N 2.96Å; F159-L161 VanDerWaalsContact C-N 3.33Å; F159-L161 PolarHBondContact O-N 3.04Å; F159-R162 WeakPolarHBondContact O-CB 3.49Å; F159-R162 PolarHBondContact O-N 3.36Å; F159-L163 HydrophobicContact CD1-CD1 3.97Å; F159-L163 HydrophobicContact CD1-CG 4.25Å; F159-L163 HydrophobicContact CE1-CD1 3.74Å; F159-L163 HydrophobicContact CE1-CD2 4.18Å; F159-L163 HydrophobicContact CE1-CG 4.02Å; F159-L163 PolarHBondContact O-N 3.26Å; F159-L163 VanDerWaalsContact O-N 3.1Å; F159-L175 HydrophobicContact CD2-CD2 3.92Å; F159-L175 HydrophobicContact CE1-CD2 4.28Å; F159-L175 HydrophobicContact CE2-CD2 3.4Å; F159-L175 HydrophobicContact CZ-CD1 4.3Å; F159-L175 HydrophobicContact CZ-CD2 3.6Å
160	A	98	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-43.3	175	0	0	0	0	0	112.2	F155 Q156 R157 E158 R162 L163 V164 V207	F155-A160 HydrophobicContact CB-CB 4.24Å; Q156-A160 WeakPolarHBondContact O-CB 3.29Å; Q156-A160 PolarHBondContact O-N 2.77Å; R157-A160 PolarHBondContact O-N 2.8Å; E158-A160 PolarHBondContact O-N 2.93Å; A160-R162 VanDerWaalsContact C-N 3.31Å; A160-R162 PolarHBondContact O-N 2.68Å; A160-L163 PolarHBondContact O-N 3.33Å; A160-V164 PolarHBondContact O-N 2.9Å; A160-V207 HydrophobicContact CB-CG2 3.55Å
161	L	98.3	Very high	97.8	Very high	67 Å²	67	46.4 Å²	46.4	35%	0.351	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-31.9	177.7	-70	175.4	0	0	0	112.3	R157 E158 F159 A165 L171	R157-L161 HydrophobicContact CG-CD1 3.97Å; R157-L161 HydrophobicContact CG-CG 4.41Å; R157-L161 WeakPolarHBondContact O-CB 3.33Å; R157-L161 VanDerWaalsContact O-CG 3.25Å; R157-L161 WeakPolarHBondContact O-CG 3.43Å; R157-L161 PolarHBondContact O-N 3.11Å; E158-L161 PolarHBondContact O-N 3.47Å; F159-L161 VanDerWaalsContact C-N 3.33Å; F159-L161 PolarHBondContact O-N 3.04Å; L161-A165 WeakPolarHBondContact O-CB 3.25Å; L161-A165 PolarHBondContact O-N 2.85Å; L161-L171 HydrophobicContact CB-CD1 3.5Å; L161-L171 VanDerWaalsContact CB-CD1 3.5Å; L161-L171 HydrophobicContact CD1-CD1 4.13Å; L161-L171 HydrophobicContact CG-CD1 4.47Å
162	R	98.3	Very high	97.8	Very high	70 Å²	70	46.4 Å²	46.4	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-65.3	-40.6	171.6	-76.2	170.9	53	-161.3	3	112.3	E158 F159 A160 V164 A165 L171 C173 L175 S176	E158-R162 VanDerWaalsContact CD-CD 3.45Å; E158-R162 PolarHBondContact O-N 3.21Å; E158-R162 WeakPolarHBondContact OE1-CD 3.27Å; E158-R162 WeakPolarHBondContact OE2-CD 3.38Å; E158-R162 IonicContact OE2-NH1 2.7Å; F159-R162 WeakPolarHBondContact O-CB 3.49Å; F159-R162 PolarHBondContact O-N 3.36Å; A160-R162 VanDerWaalsContact C-N 3.31Å; A160-R162 PolarHBondContact O-N 2.68Å; R162-V164 VanDerWaalsContact C-N 3.29Å; R162-V164 PolarHBondContact O-N 3.16Å; R162-A165 PolarHBondContact O-N 2.82Å; R162-L171 HydrophobicContact CG-CB 4.03Å; R162-L171 HydrophobicContact CG-CD2 4.42Å; R162-C173 PolarHBondContact NE-SG 3.4Å; R162-C173 VanDerWaalsContact NE-SG 3.36Å; R162-L175 HydrophobicContact CB-CD2 4.29Å; R162-S176 VanDerWaalsContact O-CB 3.24Å; R162-S176 WeakPolarHBondContact O-CB 3.35Å; R162-S176 PolarHBondContact O-OG 3.33Å
163	L	98	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-39.5	179.6	-68.8	170.6	0	0	0	112.3	V138 F155 F159 A160 L175 T179 Q180 V185 V207	V138-L163 HydrophobicContact CG1-CD2 4.48Å; F155-L163 HydrophobicContact CD2-CD1 3.63Å; F155-L163 HydrophobicContact CE2-CD1 3.48Å; F155-L163 VanDerWaalsContact CE2-CD1 3.48Å; F155-L163 HydrophobicContact CZ-CD1 4.36Å; F159-L163 HydrophobicContact CD1-CD1 3.97Å; F159-L163 HydrophobicContact CD1-CG 4.25Å; F159-L163 HydrophobicContact CE1-CD1 3.74Å; F159-L163 HydrophobicContact CE1-CD2 4.18Å; F159-L163 HydrophobicContact CE1-CG 4.02Å; F159-L163 PolarHBondContact O-N 3.26Å; F159-L163 VanDerWaalsContact O-N 3.1Å; A160-L163 PolarHBondContact O-N 3.33Å; L163-L175 HydrophobicContact CD2-CD1 3.91Å; L163-L175 HydrophobicContact CD2-CD2 3.95Å; L163-L175 HydrophobicContact CD2-CG 3.79Å; L163-L175 HydrophobicContact CG-CD2 4.38Å; L163-T179 HydrophobicContact CD2-CG2 4.03Å; L163-Q180 PolarHBondContact O-NE2 2.82Å; L163-V185 HydrophobicContact CB-CG1 4.08Å; L163-V207 HydrophobicContact CD1-CG1 4.32Å
164	V	98.3	Very high	97.8	Very high	34 Å²	34	51.2 Å²	51.2	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-94.7	-2.3	-177.6	-58.7	0	0	0	0	114.1	A160 R162 K166 V185 H187	A160-V164 PolarHBondContact O-N 2.9Å; R162-V164 VanDerWaalsContact C-N 3.29Å; R162-V164 PolarHBondContact O-N 3.16Å; V164-K166 PolarHBondContact O-N 2.83Å; V164-V185 HydrophobicContact CG1-CB 4.4Å; V164-V185 HydrophobicContact CG1-CG1 3.75Å; V164-H187 HydrophobicContact CG1-CB 4.21Å; V164-H187 HydrophobicContact CG2-CB 4.3Å
165	A	98.5	Very high	97.8	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-61	135.3	-178.5	0	0	0	0	0	110.5	L161 R162 D169 L171 Y172 Q180	L161-A165 WeakPolarHBondContact O-CB 3.25Å; L161-A165 PolarHBondContact O-N 2.85Å; R162-A165 PolarHBondContact O-N 2.82Å; A165-D169 HydrophobicContact CB-CB 4.19Å; A165-L171 HydrophobicContact CB-CB 4.16Å; A165-Y172 HydrophobicContact CB-CD2 4.41Å; A165-Y172 VanDerWaalsContact O-CD2 3.28Å; A165-Y172 WeakPolarHBondContact O-CD2 3.34Å; A165-Q180 PolarHBondContact O-NE2 2.98Å
166	K	98.3	Very high	97.9	Very high	147 Å²	147	51.3 Å²	51.3	64%	0.639	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-95	161.3	178.7	-65.1	-176.6	-179.2	-177.7	0	111	V164 G168 D169 Y172	V164-K166 PolarHBondContact O-N 2.83Å; K166-G168 PolarHBondContact O-N 2.87Å; K166-D169 PolarHBondContact N-OD2 3.19Å; K166-D169 VanDerWaalsContact O-CB 3.25Å; K166-D169 WeakPolarHBondContact O-CB 3.38Å; K166-D169 PolarHBondContact O-N 2.97Å; K166-Y172 WeakPolarHBondContact O-CB 3.3Å
167	P	98.5	Very high	98	Very high	51 Å²	51	48.3 Å²	48.3	33%	0.331	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	131.3	170.8	-25.2	33.3	0	0	0	111.4	Y172 D294	P167-Y172 HydrophobicContact CB-CE1 4.28Å; P167-Y172 HydrophobicContact CG-CE1 4.3Å; P167-Y172 HydrophobicContact CG-CE2 4.22Å; P167-D294 HydrophobicContact CG-CB 3.82Å
168	G	97.7	Very high	98	Very high	43 Å²	43	45.9 Å²	45.9	44%	0.443	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-23.7	-175.3	0	0	0	0	0	114.2	K166 R291	K166-G168 PolarHBondContact O-N 2.87Å; G168-R291 WeakPolarHBondContact CA-O 2.96Å; G168-R291 PolarHBondContact N-O 3.28Å
169	D	98.2	Very high	98.1	Very high	78 Å²	78	41.6 Å²	41.6	42%	0.417	21%	0.21	S	C	.	.			trans	-66.8	147.3	-179.9	-72.2	-20.6	0	0	0	112.1	A165 K166 L171 Y172	A165-D169 HydrophobicContact CB-CB 4.19Å; K166-D169 PolarHBondContact N-OD2 3.19Å; K166-D169 VanDerWaalsContact O-CB 3.25Å; K166-D169 WeakPolarHBondContact O-CB 3.38Å; K166-D169 PolarHBondContact O-N 2.97Å; D169-L171 PolarHBondContact O-N 3Å; D169-L171 VanDerWaalsContact O-N 3.15Å; D169-Y172 VanDerWaalsContact O-CB 3.3Å; D169-Y172 WeakPolarHBondContact O-CB 3.39Å; D169-Y172 PolarHBondContact O-N 2.83Å
170	K	97.6	Very high	98.1	Very high	192 Å²	192	42.4 Å²	42.4	84%	0.835	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.5	177	-176.4	178.1	178.6	-179.9	0	112.4	K234	K170-K234 PolarHBondContact O-NZ 3.49Å
171	L	98.2	Very high	98.1	Very high	57 Å²	57	42.5 Å²	42.5	30%	0.298	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.9	-176.5	-65.1	178.2	0	0	0	113.8	L161 R162 A165 D169 C173	L161-L171 HydrophobicContact CB-CD1 3.5Å; L161-L171 VanDerWaalsContact CB-CD1 3.5Å; L161-L171 HydrophobicContact CD1-CD1 4.13Å; L161-L171 HydrophobicContact CG-CD1 4.47Å; R162-L171 HydrophobicContact CG-CB 4.03Å; R162-L171 HydrophobicContact CG-CD2 4.42Å; A165-L171 HydrophobicContact CB-CB 4.16Å; D169-L171 PolarHBondContact O-N 3Å; D169-L171 VanDerWaalsContact O-N 3.15Å; L171-C173 PolarHBondContact O-N 3.24Å
172	Y	98.6	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.			trans	-62.2	126.7	178.2	-169.7	-119	0	0	0	111.1	A165 K166 P167 D169 I177 F231 K234 A290 R291 M293	A165-Y172 HydrophobicContact CB-CD2 4.41Å; A165-Y172 VanDerWaalsContact O-CD2 3.28Å; A165-Y172 WeakPolarHBondContact O-CD2 3.34Å; K166-Y172 WeakPolarHBondContact O-CB 3.3Å; P167-Y172 HydrophobicContact CB-CE1 4.28Å; P167-Y172 HydrophobicContact CG-CE1 4.3Å; P167-Y172 HydrophobicContact CG-CE2 4.22Å; D169-Y172 VanDerWaalsContact O-CB 3.3Å; D169-Y172 WeakPolarHBondContact O-CB 3.39Å; D169-Y172 PolarHBondContact O-N 2.83Å; Y172-I177 HydrophobicContact CE2-CB 4.41Å; Y172-I177 WeakPolarHBondContact OH-CD1 3.24Å; Y172-I177 WeakPolarHBondContact OH-CG1 3.35Å; Y172-F231 AromaticContact CD1-CE1 4Å; Y172-F231 HydrophobicContact CD1-CE1 4Å; Y172-F231 HydrophobicContact CD1-CZ 4.1Å; Y172-F231 HydrophobicContact CE1-CE1 4.08Å; Y172-F231 AromaticContact CE1-CZ 3.7Å; Y172-F231 HydrophobicContact CE1-CZ 3.7Å; Y172-K234 WeakPolarHBondContact O-CD 3.38Å; Y172-K234 PolarHBondContact O-NZ 3.16Å; Y172-A290 WeakPolarHBondContact CE1-O 3.29Å; Y172-R291 WeakPolarHBondContact CD1-O 3.48Å; Y172-M293 WeakPolarHBondContact CE1-O 3.12Å; Y172-M293 PolarHBondContact OH-O 3.21Å
173	C	98.3	Very high	98.1	Very high	21 Å²	21	37.1 Å²	37.1	14%	0.142	19%	0.191	C	C	.	.			trans	-153.4	177.3	-173.5	65.7	0	0	0	0	111.7	R162 L171 L175 S176 I177	R162-C173 PolarHBondContact NE-SG 3.4Å; R162-C173 VanDerWaalsContact NE-SG 3.36Å; L171-C173 PolarHBondContact O-N 3.24Å; C173-L175 PolarHBondContact O-N 3.46Å; C173-L175 VanDerWaalsContact O-N 3.16Å; C173-S176 PolarHBondContact N-OG 3.44Å; C173-S176 WeakPolarHBondContact O-CA 3.26Å; C173-S176 WeakPolarHBondContact O-CB 3.24Å; C173-S176 PolarHBondContact O-N 3Å; C173-S176 PolarHBondContact O-OG 3.28Å; C173-S176 PolarHBondContact SG-OG 2.94Å; C173-I177 PolarHBondContact O-N 3.39Å
174	R	97.6	Very high	98.1	Very high	82 Å²	82	43.4 Å²	43.4	31%	0.309	22%	0.215	S	C	.	.	H	α-helix	trans	-50.3	-38.3	174.9	169.7	168.4	168.8	-137.8	-8.2	113.4	S176 N178 D224 V227 R228 F231	R174-S176 VanDerWaalsContact C-N 3.33Å; R174-S176 PolarHBondContact O-N 3.47Å; R174-N178 VanDerWaalsContact O-CB 3.28Å; R174-N178 WeakPolarHBondContact O-CB 3.45Å; R174-N178 VanDerWaalsContact O-CG 3.28Å; R174-N178 PolarHBondContact O-N 2.79Å; R174-D224 IonicContact CZ-OD1 2.74Å; R174-D224 IonicContact CZ-OD2 3.72Å; R174-D224 IonicContact NE-OD1 3.84Å; R174-D224 PolarHBondContact NE-OD1 3.31Å; R174-D224 IonicContact NE-OD2 2.88Å; R174-D224 IonicContact NH2-OD1 2.84Å; R174-D224 PolarHBondContact NH2-OD1 3.18Å; R174-D224 IonicContact NH2-OD2 3.31Å; R174-D224 PolarHBondContact NH2-OD2 2.86Å; R174-V227 HydrophobicContact CB-CG1 3.9Å; R174-V227 HydrophobicContact CG-CG1 3.66Å; R174-R228 VanDerWaalsContact NH2-NH2 3.12Å; R174-F231 HydrophobicContact CB-CB 4.19Å; R174-F231 HydrophobicContact CB-CG 4.26Å
175	L	97.2	Very high	98.1	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-41.3	176	176.5	66.6	0	0	0	111.6	F139 F159 R162 L163 C173 T179	F139-L175 HydrophobicContact CE2-CD1 4.15Å; F139-L175 HydrophobicContact CZ-CD1 4.41Å; F159-L175 HydrophobicContact CD2-CD2 3.92Å; F159-L175 HydrophobicContact CE1-CD2 4.28Å; F159-L175 HydrophobicContact CE2-CD2 3.4Å; F159-L175 HydrophobicContact CZ-CD1 4.3Å; F159-L175 HydrophobicContact CZ-CD2 3.6Å; R162-L175 HydrophobicContact CB-CD2 4.29Å; L163-L175 HydrophobicContact CD2-CD1 3.91Å; L163-L175 HydrophobicContact CD2-CD2 3.95Å; L163-L175 HydrophobicContact CD2-CG 3.79Å; L163-L175 HydrophobicContact CG-CD2 4.38Å; C173-L175 PolarHBondContact O-N 3.46Å; C173-L175 VanDerWaalsContact O-N 3.16Å; L175-T179 VanDerWaalsContact O-CB 3.32Å; L175-T179 WeakPolarHBondContact O-CB 3.47Å; L175-T179 PolarHBondContact O-N 3.34Å; L175-T179 VanDerWaalsContact O-N 3.11Å; L175-T179 PolarHBondContact O-OG1 2.78Å
176	S	98.3	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-58.4	179	-41.6	0	0	0	0	109.9	R162 C173 R174 N178 T179 Q180	R162-S176 VanDerWaalsContact O-CB 3.24Å; R162-S176 WeakPolarHBondContact O-CB 3.35Å; R162-S176 PolarHBondContact O-OG 3.33Å; C173-S176 PolarHBondContact N-OG 3.44Å; C173-S176 WeakPolarHBondContact O-CA 3.26Å; C173-S176 WeakPolarHBondContact O-CB 3.24Å; C173-S176 PolarHBondContact O-N 3Å; C173-S176 PolarHBondContact O-OG 3.28Å; C173-S176 PolarHBondContact SG-OG 2.94Å; R174-S176 VanDerWaalsContact C-N 3.33Å; R174-S176 PolarHBondContact O-N 3.47Å; S176-N178 PolarHBondContact O-N 3.47Å; S176-T179 PolarHBondContact O-N 2.92Å; S176-Q180 WeakPolarHBondContact O-CB 3.48Å; S176-Q180 WeakPolarHBondContact O-CG 3.4Å; S176-Q180 PolarHBondContact O-N 3.08Å
177	I	98.3	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-37.9	-172.9	-155.5	-177	0	0	0	112.6	Y172 C173 T179 Q180 L181 W223 V227 F231 I295 F298	Y172-I177 HydrophobicContact CE2-CB 4.41Å; Y172-I177 WeakPolarHBondContact OH-CD1 3.24Å; Y172-I177 WeakPolarHBondContact OH-CG1 3.35Å; C173-I177 PolarHBondContact O-N 3.39Å; I177-T179 PolarHBondContact O-N 3.22Å; I177-Q180 PolarHBondContact O-N 2.92Å; I177-L181 WeakPolarHBondContact O-CB 3.39Å; I177-L181 PolarHBondContact O-N 2.82Å; I177-W223 HydrophobicContact CD1-CH2 4.16Å; I177-W223 HydrophobicContact CD1-CZ2 3.87Å; I177-W223 HydrophobicContact CG1-CH2 4.5Å; I177-W223 HydrophobicContact CG1-CZ2 3.92Å; I177-V227 HydrophobicContact CG2-CG1 3.57Å; I177-V227 HydrophobicContact CG2-CG2 4.13Å; I177-F231 HydrophobicContact CG2-CE2 3.89Å; I177-F231 HydrophobicContact CG2-CZ 4.17Å; I177-I295 HydrophobicContact CG1-CG1 4.13Å; I177-F298 HydrophobicContact CD1-CB 4.18Å; I177-F298 HydrophobicContact CD1-CD2 3.08Å; I177-F298 HydrophobicContact CD1-CE2 3.46Å; I177-F298 VanDerWaalsContact CD1-CE2 3.46Å; I177-F298 HydrophobicContact CD1-CG 3.71Å; I177-F298 HydrophobicContact CD1-CZ 4.37Å
178	N	97.9	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-39.3	177	-75.3	2.2	0	0	0	112	F139 R174 S176 F220 W223 D224	F139-N178 HydrophobicContact CE1-CB 3.86Å; F139-N178 HydrophobicContact CZ-CB 3.9Å; R174-N178 VanDerWaalsContact O-CB 3.28Å; R174-N178 WeakPolarHBondContact O-CB 3.45Å; R174-N178 VanDerWaalsContact O-CG 3.28Å; R174-N178 PolarHBondContact O-N 2.79Å; S176-N178 PolarHBondContact O-N 3.47Å; N178-F220 HydrophobicContact CB-CE2 4.32Å; N178-F220 HydrophobicContact CB-CZ 4.41Å; N178-W223 PolarHBondContact OD1-NE1 2.9Å; N178-D224 PolarHBondContact ND2-OD1 2.74Å
179	T	98	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-45	177.3	-50.8	0	0	0	0	110.2	V138 L142 L163 L175 S176 I177 L181 L182 A183 V185 I209	V138-T179 HydrophobicContact CG1-CG2 4.18Å; L142-T179 HydrophobicContact CD1-CG2 4.15Å; L163-T179 HydrophobicContact CD2-CG2 4.03Å; L175-T179 VanDerWaalsContact O-CB 3.32Å; L175-T179 WeakPolarHBondContact O-CB 3.47Å; L175-T179 PolarHBondContact O-N 3.34Å; L175-T179 VanDerWaalsContact O-N 3.11Å; L175-T179 PolarHBondContact O-OG1 2.78Å; S176-T179 PolarHBondContact O-N 2.92Å; I177-T179 PolarHBondContact O-N 3.22Å; T179-L181 VanDerWaalsContact C-N 3.32Å; T179-L181 PolarHBondContact O-N 2.9Å; T179-L182 PolarHBondContact O-N 3.12Å; T179-A183 PolarHBondContact O-N 2.84Å; T179-V185 HydrophobicContact CG2-CG2 3.59Å; T179-I209 HydrophobicContact CG2-CD1 4.48Å
180	Q	98.3	Very high	98.2	Very high	34 Å²	34	45.7 Å²	45.7	16%	0.159	21%	0.209	C	C	.	.	H	α-helix	trans	-70.9	-24.8	-177.9	-67.9	164.2	18.1	0	0	113.2	L163 A165 S176 I177 L182 A183 K212 I295	L163-Q180 PolarHBondContact O-NE2 2.82Å; A165-Q180 PolarHBondContact O-NE2 2.98Å; S176-Q180 WeakPolarHBondContact O-CB 3.48Å; S176-Q180 WeakPolarHBondContact O-CG 3.4Å; S176-Q180 PolarHBondContact O-N 3.08Å; I177-Q180 PolarHBondContact O-N 2.92Å; Q180-L182 VanDerWaalsContact C-N 3.33Å; Q180-A183 CarbonylContact C-O 3.53Å; Q180-A183 WeakPolarHBondContact CA-O 3.39Å; Q180-K212 VanDerWaalsContact O-CE 3.3Å; Q180-K212 WeakPolarHBondContact O-CE 3.25Å; Q180-K212 PolarHBondContact O-NZ 3.41Å; Q180-I295 HydrophobicContact CB-CD1 3.98Å; Q180-I295 WeakPolarHBondContact O-CD1 3.4Å
181	L	97.9	Very high	98.2	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-50.2	169.3	175.1	69.7	0	0	0	110	I177 T179 K212 P216 I218 W223 I295	I177-L181 WeakPolarHBondContact O-CB 3.39Å; I177-L181 PolarHBondContact O-N 2.82Å; T179-L181 VanDerWaalsContact C-N 3.32Å; T179-L181 PolarHBondContact O-N 2.9Å; L181-K212 WeakPolarHBondContact O-CD 3.35Å; L181-K212 WeakPolarHBondContact O-CE 3.47Å; L181-K212 PolarHBondContact O-NZ 3Å; L181-P216 HydrophobicContact CD1-CB 4.27Å; L181-P216 HydrophobicContact CD1-CG 3.96Å; L181-I218 HydrophobicContact CD1-CD1 4.14Å; L181-W223 HydrophobicContact CB-CZ2 4.2Å; L181-W223 HydrophobicContact CD1-CH2 4.15Å; L181-W223 HydrophobicContact CD1-CZ2 4.26Å; L181-W223 HydrophobicContact CD1-CZ3 4.3Å; L181-W223 HydrophobicContact CD2-CD2 3.68Å; L181-W223 HydrophobicContact CD2-CE3 4.28Å; L181-W223 HydrophobicContact CD2-CG 3.8Å; L181-W223 HydrophobicContact CD2-CZ2 4.15Å; L181-W223 HydrophobicContact CG-CZ2 4.42Å; L181-I295 HydrophobicContact CD1-CG2 3.85Å
182	L	97.9	Very high	98.2	Very high	21 Å²	21	35 Å²	35	11%	0.11	17%	0.168	C	C	.	.	H	α-helix	trans	-93.9	-16.5	-168.9	-60.8	178	0	0	0	114	L142 T179 Q180 K212 F220	L142-L182 HydrophobicContact CB-CB 4.37Å; L142-L182 HydrophobicContact CB-CD1 3.92Å; L142-L182 HydrophobicContact CD1-CB 4.29Å; L142-L182 HydrophobicContact CD1-CD1 4.18Å; L142-L182 HydrophobicContact CD2-CB 4.05Å; L142-L182 HydrophobicContact CG-CB 4.46Å; T179-L182 PolarHBondContact O-N 3.12Å; Q180-L182 VanDerWaalsContact C-N 3.33Å; L182-K212 PolarHBondContact O-N 2.98Å; L182-F220 HydrophobicContact CD1-CD2 3.89Å; L182-F220 HydrophobicContact CD1-CE2 3.85Å
183	A	98.4	Very high	98	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.7	-175.1	0	0	0	0	0	113.5	L142 T179 Q180 V185 I209 E210	L142-A183 HydrophobicContact CD2-CB 3.56Å; T179-A183 PolarHBondContact O-N 2.84Å; Q180-A183 CarbonylContact C-O 3.53Å; Q180-A183 WeakPolarHBondContact CA-O 3.39Å; A183-V185 HydrophobicContact CB-CG2 4.47Å; A183-I209 HydrophobicContact CB-CG2 3.57Å; A183-E210 CarbonylContact C-O 3.58Å; A183-E210 WeakPolarHBondContact CA-O 3.49Å; A183-E210 VanDerWaalsContact CB-O 3.23Å; A183-E210 WeakPolarHBondContact CB-O 3.49Å
184	R	98.5	Very high	98	Very high	132 Å²	132	43.8 Å²	43.8	50%	0.498	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	139.7	159.3	-63.5	-177.5	-65.6	-84.6	-2	108.8	I209 E210	R184-I209 WeakPolarHBondContact O-CA 3.24Å; R184-E210 HydrophobicContact CB-CB 4.37Å; R184-E210 IonicContact CZ-OE2 3.27Å; R184-E210 PolarHBondContact N-O 3.23Å; R184-E210 IonicContact NE-OE2 2.94Å; R184-E210 PolarHBondContact NE-OE2 2.99Å; R184-E210 VanDerWaalsContact NE-OE2 3.14Å; R184-E210 IonicContact NH2-OE2 2.94Å; R184-E210 PolarHBondContact NH2-OE2 2.86Å; R184-E210 PolarHBondContact O-N 3.41Å
185	V	98.4	Very high	97.9	Very high	22 Å²	22	41.3 Å²	41.3	13%	0.133	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	123.5	-174.2	-167.3	0	0	0	0	110.8	L163 V164 T179 A183 V207 R208 I209	L163-V185 HydrophobicContact CB-CG1 4.08Å; V164-V185 HydrophobicContact CG1-CB 4.4Å; V164-V185 HydrophobicContact CG1-CG1 3.75Å; T179-V185 HydrophobicContact CG2-CG2 3.59Å; A183-V185 HydrophobicContact CB-CG2 4.47Å; V185-V207 HydrophobicContact CG1-CG1 3.41Å; V185-V207 VanDerWaalsContact CG1-CG1 3.41Å; V185-R208 VanDerWaalsContact CA-O 3.29Å; V185-R208 WeakPolarHBondContact CA-O 3.48Å; V185-I209 HydrophobicContact CG1-CG1 4.23Å
186	D	98.4	Very high	97.8	Very high	81 Å²	81	40.9 Å²	40.9	43%	0.433	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137	-178.1	-57.6	-71.5	0	0	0	111.8	L188 V207 R208	D186-L188 HydrophobicContact CB-CD2 4.41Å; D186-V207 CarbonylContact O-C 3.37Å; D186-V207 VanDerWaalsContact O-CA 3.27Å; D186-V207 WeakPolarHBondContact O-CA 3.32Å; D186-V207 WeakPolarHBondContact O-CG1 3.47Å; D186-R208 HydrophobicContact CB-CB 4.3Å; D186-R208 PolarHBondContact N-O 3.43Å; D186-R208 PolarHBondContact O-N 3.43Å
187	H	98.6	Very high	97.6	Very high	65 Å²	65	48.7 Å²	48.7	30%	0.301	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.9	169.3	-173.5	-73.8	0	0	0	108.7	V164 M189 S205	V164-H187 HydrophobicContact CG1-CB 4.21Å; V164-H187 HydrophobicContact CG2-CB 4.3Å; H187-M189 PolarHBondContact CE1-O 3.39Å; H187-S205 WeakPolarHBondContact NE2-CB 3.39Å; H187-S205 PolarHBondContact NE2-OG 2.72Å
188	L	98.3	Very high	97.3	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-48.7	-172.9	-65.3	-177.6	0	0	0	113	K51 I152 D186 V206 R208	K51-L188 HydrophobicContact CB-CD1 3.82Å; K51-L188 HydrophobicContact CG-CD1 4.13Å; I152-L188 HydrophobicContact CD1-CD1 3.91Å; I152-L188 HydrophobicContact CG2-CD1 4.19Å; D186-L188 HydrophobicContact CB-CD2 4.41Å; L188-V206 HydrophobicContact CB-CB 4.39Å; L188-V206 HydrophobicContact CB-CG1 4.42Å; L188-V206 HydrophobicContact CD1-CG1 4.08Å; L188-V206 PolarHBondContact N-O 2.89Å; L188-R208 HydrophobicContact CD1-CB 3.88Å; L188-R208 HydrophobicContact CD2-CB 4.09Å; L188-R208 HydrophobicContact CG-CB 4Å
189	M	98.2	Very high	97.1	Very high	35 Å²	35	54 Å²	54	17%	0.172	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158.2	-178.4	73.4	-172	77.5	0	0	112.8	I44 S47 K51 H187 V191 S205 V206	I44-M189 HydrophobicContact CG2-SD 4.34Å; S47-M189 WeakPolarHBondContact OG-CE 3.4Å; K51-M189 HydrophobicContact CG-CE 4.38Å; H187-M189 PolarHBondContact CE1-O 3.39Å; M189-V191 HydrophobicContact CG-CG2 4.22Å; M189-S205 CarbonylContact O-C 3.47Å; M189-S205 VanDerWaalsContact O-CA 3.27Å; M189-S205 WeakPolarHBondContact O-CA 3.5Å; M189-S205 WeakPolarHBondContact O-CB 3.47Å; M189-V206 HydrophobicContact CG-CB 3.88Å; M189-V206 HydrophobicContact CG-CG2 3.69Å; M189-V206 PolarHBondContact N-O 3.45Å; M189-V206 PolarHBondContact O-N 3.5Å; M189-V206 HydrophobicContact SD-CG2 4.1Å
190	K	98.3	Very high	96.9	Very high	155 Å²	155	54.2 Å²	54.2	67%	0.674	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.5	172.7	-67.8	-178.3	-179.4	168.4	0	109.6	R157	R157-K190 VanDerWaalsContact CZ-CG 3.47Å
191	V	97.9	Very high	96.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.7	177.6	178.4	0	0	0	0	110.1	L39 I44 M154 M189 N195 F196 S204 V206	L39-V191 HydrophobicContact CD1-CG1 4.36Å; I44-V191 HydrophobicContact CD1-CG1 3.81Å; I44-V191 HydrophobicContact CD1-CG2 4.32Å; I44-V191 HydrophobicContact CG2-CG1 4.47Å; I44-V191 HydrophobicContact CG2-CG2 3.9Å; M154-V191 HydrophobicContact SD-CB 4.3Å; M154-V191 HydrophobicContact SD-CG1 4.18Å; M154-V191 HydrophobicContact SD-CG2 4.15Å; M189-V191 HydrophobicContact CG-CG2 4.22Å; V191-N195 HydrophobicContact CG1-CB 4.05Å; V191-F196 HydrophobicContact CG1-CE2 3.66Å; V191-F196 HydrophobicContact CG1-CZ 3.94Å; V191-S204 PolarHBondContact N-O 2.57Å; V191-S204 PolarHBondContact O-N 3.39Å; V191-V206 HydrophobicContact CG2-CG2 3.86Å
192	G	97.9	Very high	96.5	Very high	25 Å²	25	65.1 Å²	65.1	26%	0.258	32%	0.317	S	S	.	.			trans	-67	143.3	177.9	0	0	0	0	0	113.2	N194 N195 E203	G192-N194 PolarHBondContact O-N 3.38Å; G192-N194 VanDerWaalsContact O-N 3.1Å; G192-N195 WeakPolarHBondContact CA-ND2 3.34Å; G192-N195 PolarHBondContact N-ND2 3.03Å; G192-N195 VanDerWaalsContact O-CB 3.31Å; G192-N195 WeakPolarHBondContact O-CB 3.18Å; G192-N195 PolarHBondContact O-N 3.15Å; G192-N195 PolarHBondContact O-ND2 3.19Å; G192-E203 VanDerWaalsContact CA-OE2 3.29Å; G192-E203 WeakPolarHBondContact CA-OE2 3.07Å
193	K	96.4	Very high	96.4	Very high	84 Å²	84	67.6 Å²	67.6	37%	0.365	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-55.8	-27.1	177.3	63	-174.4	171	-176.9	0	114.8	N195 F196 P199 P200	K193-N195 PolarHBondContact O-N 3.18Å; K193-F196 PolarHBondContact O-N 2.99Å; K193-P199 WeakPolarHBondContact O-CB 3.42Å; K193-P200 HydrophobicContact CB-CG 4.04Å
194	N	96.3	Very high	96.4	Very high	121 Å²	121	67.5 Å²	67.5	65%	0.647	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-70.2	-12.6	179.3	-65.3	-20.9	0	0	0	113.4	K40 G192 F196	K40-N194 WeakPolarHBondContact CE-O 3.41Å; K40-N194 PolarHBondContact NZ-O 3.04Å; G192-N194 PolarHBondContact O-N 3.38Å; G192-N194 VanDerWaalsContact O-N 3.1Å; N194-F196 PolarHBondContact O-N 2.81Å
195	N	96.8	Very high	96.4	Very high	31 Å²	31	61.2 Å²	61.2	17%	0.166	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-78.4	-0.9	175.4	-62.4	-66.3	0	0	0	113.3	L39 K40 N41 I44 V191 G192 K193	L39-N195 HydrophobicContact CD1-CB 4.18Å; K40-N195 WeakPolarHBondContact CG-O 3.04Å; K40-N195 PolarHBondContact N-O 3.48Å; N41-N195 HydrophobicContact CB-CB 3.99Å; N41-N195 WeakPolarHBondContact CB-OD1 3.37Å; N41-N195 PolarHBondContact ND2-OD1 3.16Å; I44-N195 HydrophobicContact CD1-CB 3.79Å; I44-N195 WeakPolarHBondContact CD1-OD1 3.33Å; V191-N195 HydrophobicContact CG1-CB 4.05Å; G192-N195 WeakPolarHBondContact CA-ND2 3.34Å; G192-N195 PolarHBondContact N-ND2 3.03Å; G192-N195 VanDerWaalsContact O-CB 3.31Å; G192-N195 WeakPolarHBondContact O-CB 3.18Å; G192-N195 PolarHBondContact O-N 3.15Å; G192-N195 PolarHBondContact O-ND2 3.19Å; K193-N195 PolarHBondContact O-N 3.18Å
196	F	95.1	Very high	96.3	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.3	-179.8	-61	-91.4	0	0	0	112.2	H37 I38 L39 K40 M154 V191 K193 N194 P200	H37-F196 HydrophobicContact CB-CB 4.34Å; H37-F196 HydrophobicContact CB-CD1 4.04Å; H37-F196 HydrophobicContact CB-CG 4.45Å; I38-F196 CarbonylContact O-C 3.54Å; I38-F196 WeakPolarHBondContact O-CA 3.26Å; L39-F196 HydrophobicContact CB-CD1 4.35Å; L39-F196 HydrophobicContact CB-CE1 4.27Å; L39-F196 HydrophobicContact CD1-CD1 4.45Å; L39-F196 HydrophobicContact CD1-CE1 4.15Å; L39-F196 HydrophobicContact CD1-CZ 4.32Å; K40-F196 WeakPolarHBondContact CE-O 3.26Å; M154-F196 HydrophobicContact CE-CE1 3.41Å; M154-F196 VanDerWaalsContact CE-CE1 3.41Å; M154-F196 HydrophobicContact CE-CZ 3.56Å; M154-F196 HydrophobicContact SD-CE1 4.15Å; M154-F196 HydrophobicContact SD-CZ 3.64Å; V191-F196 HydrophobicContact CG1-CE2 3.66Å; V191-F196 HydrophobicContact CG1-CZ 3.94Å; K193-F196 PolarHBondContact O-N 2.99Å; N194-F196 PolarHBondContact O-N 2.81Å; F196-P200 VanDerWaalsContact CB-CD 3.5Å; F196-P200 HydrophobicContact CD2-CG 3.87Å; F196-P200 HydrophobicContact CE2-CG 4.29Å; F196-P200 HydrophobicContact CG-CG 4.24Å
197	R	92.8	Very high	96.3	Very high	163 Å²	163	56.3 Å²	56.3	62%	0.615	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.5	169	-173.9	177.2	-177.7	-178.8	-0	110.1	I38 K40	I38-R197 WeakPolarHBondContact CB-O 3.11Å; I38-R197 PolarHBondContact N-O 3.08Å; I38-R197 PolarHBondContact O-N 3.07Å; K40-R197 HydrophobicContact CD-CB 4.16Å
198	P	93.1	Very high	96.4	Very high	35 Å²	35	55.8 Å²	55.8	23%	0.227	27%	0.272	C	S	.	.	S	Bend	cis	-61.5	157	-19.2	28.8	-35.5	0	0	0	111.7	T32 H37	T32-P198 HydrophobicContact CG2-CB 4.08Å; T32-P198 HydrophobicContact CG2-CG 3.23Å; H37-P198 PolarHBondContact ND1-O 2.85Å
199	P	93.3	Very high	96.4	Very high	76 Å²	76	53.6 Å²	53.6	49%	0.494	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-67.3	136.7	-179.5	27.5	-33.9	0	0	0	111.6	K193	K193-P199 WeakPolarHBondContact O-CB 3.42Å
200	P	93.3	Very high	96.4	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.039	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.9	165.8	169.9	30.7	-35.7	0	0	0	111	Y131 K193 F196 V202	Y131-P200 HydrophobicContact CE2-CB 4.31Å; K193-P200 HydrophobicContact CB-CG 4.04Å; F196-P200 VanDerWaalsContact CB-CD 3.5Å; F196-P200 HydrophobicContact CD2-CG 3.87Å; F196-P200 HydrophobicContact CE2-CG 4.29Å; F196-P200 HydrophobicContact CG-CG 4.24Å; P200-V202 VanDerWaalsContact C-N 3.27Å; P200-V202 PolarHBondContact O-N 3.1Å
201	K	93	Very high	96.4	Very high	206 Å²	206	46.5 Å²	46.5	90%	0.896	23%	0.23	S	C	*	.	S	Bend	trans	-75.8	-16.5	176.6	-65.5	-175.5	-179.4	178.7	0	113.5
202	V	94.9	Very high	96.4	Very high	59 Å²	59	49 Å²	49	36%	0.358	24%	0.241	S	C	.	.	S	Bend	trans	-127.5	160.8	-171.1	-61.9	0	0	0	0	111.6	Y131 Q156 P200	Y131-V202 HydrophobicContact CE2-CG2 3.93Å; Q156-V202 HydrophobicContact CB-CG2 4.39Å; Q156-V202 HydrophobicContact CG-CG2 3.82Å; P200-V202 VanDerWaalsContact C-N 3.27Å; P200-V202 PolarHBondContact O-N 3.1Å
203	E	97.1	Very high	96.3	Very high	73 Å²	73	53.3 Å²	53.3	34%	0.341	26%	0.258	S	S	.	.			trans	-73.6	152.4	174.2	-64.3	-60.2	129.1	0	0	111.7	R157 G192	R157-E203 HydrophobicContact CB-CB 4.05Å; R157-E203 PolarHBondContact N-O 3.01Å; G192-E203 VanDerWaalsContact CA-OE2 3.29Å; G192-E203 WeakPolarHBondContact CA-OE2 3.07Å
204	S	97.4	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	165.1	178.9	-63.5	0	0	0	0	112.6	Y131 F155 R157 V191	Y131-S204 PolarHBondContact OH-OG 3Å; F155-S204 CarbonylContact O-C 3.45Å; F155-S204 WeakPolarHBondContact O-CA 3.45Å; F155-S204 WeakPolarHBondContact O-CB 3.24Å; R157-S204 PolarHBondContact NE-O 3.25Å; R157-S204 PolarHBondContact NH2-O 3.43Å; V191-S204 PolarHBondContact N-O 2.57Å; V191-S204 PolarHBondContact O-N 3.39Å
205	S	98	Very high	96.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.9	165.9	-43.6	0	0	0	0	111.3	M154 F155 R157 H187 M189	M154-S205 WeakPolarHBondContact CA-O 3.24Å; F155-S205 PolarHBondContact N-O 3.36Å; F155-S205 PolarHBondContact O-N 3.48Å; R157-S205 WeakPolarHBondContact CD-OG 3.36Å; R157-S205 PolarHBondContact NE-OG 3.31Å; H187-S205 WeakPolarHBondContact NE2-CB 3.39Å; H187-S205 PolarHBondContact NE2-OG 2.72Å; M189-S205 CarbonylContact O-C 3.47Å; M189-S205 VanDerWaalsContact O-CA 3.27Å; M189-S205 WeakPolarHBondContact O-CA 3.5Å; M189-S205 WeakPolarHBondContact O-CB 3.47Å
206	V	98.3	Very high	96	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.1	167.9	-173.1	0	0	0	0	108.9	I48 I152 L153 M154 L188 M189 V191	I48-V206 HydrophobicContact CD1-CG2 4.05Å; I48-V206 HydrophobicContact CG1-CG1 4.2Å; I48-V206 HydrophobicContact CG1-CG2 3.96Å; I152-V206 HydrophobicContact CG2-CG1 3.37Å; L153-V206 CarbonylContact O-C 3.52Å; L153-V206 WeakPolarHBondContact O-CA 3.23Å; M154-V206 HydrophobicContact SD-CG2 4.43Å; L188-V206 HydrophobicContact CB-CB 4.39Å; L188-V206 HydrophobicContact CB-CG1 4.42Å; L188-V206 HydrophobicContact CD1-CG1 4.08Å; L188-V206 PolarHBondContact N-O 2.89Å; M189-V206 HydrophobicContact CG-CB 3.88Å; M189-V206 HydrophobicContact CG-CG2 3.69Å; M189-V206 PolarHBondContact N-O 3.45Å; M189-V206 PolarHBondContact O-N 3.5Å; M189-V206 HydrophobicContact SD-CG2 4.1Å; V191-V206 HydrophobicContact CG2-CG2 3.86Å
207	V	98.4	Very high	96	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.7	179.6	175.5	0	0	0	0	109.1	L153 F155 A160 L163 V185 D186 I209	L153-V207 PolarHBondContact N-O 2.79Å; L153-V207 PolarHBondContact O-N 2.85Å; F155-V207 HydrophobicContact CD2-CB 4.31Å; F155-V207 HydrophobicContact CD2-CG2 4.26Å; F155-V207 HydrophobicContact CE2-CB 4.47Å; A160-V207 HydrophobicContact CB-CG2 3.55Å; L163-V207 HydrophobicContact CD1-CG1 4.32Å; V185-V207 HydrophobicContact CG1-CG1 3.41Å; V185-V207 VanDerWaalsContact CG1-CG1 3.41Å; D186-V207 CarbonylContact O-C 3.37Å; D186-V207 VanDerWaalsContact O-CA 3.27Å; D186-V207 WeakPolarHBondContact O-CA 3.32Å; D186-V207 WeakPolarHBondContact O-CG1 3.47Å; V207-I209 HydrophobicContact CG1-CG1 4.18Å
208	R	98.7	Very high	96.1	Very high	54 Å²	54	51.8 Å²	51.8	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.3	168.6	-173.5	171.8	-174.5	143.6	-5.8	109.3	K51 A151 I152 V185 D186 L188 E210	K51-R208 PolarHBondContact O-NH1 3.23Å; K51-R208 VanDerWaalsContact O-NH1 3.08Å; A151-R208 CarbonylContact O-C 3.55Å; A151-R208 WeakPolarHBondContact O-CA 3.47Å; I152-R208 HydrophobicContact CD1-CB 4.03Å; I152-R208 HydrophobicContact CD1-CG 3.8Å; V185-R208 VanDerWaalsContact CA-O 3.29Å; V185-R208 WeakPolarHBondContact CA-O 3.48Å; D186-R208 HydrophobicContact CB-CB 4.3Å; D186-R208 PolarHBondContact N-O 3.43Å; D186-R208 PolarHBondContact O-N 3.43Å; L188-R208 HydrophobicContact CD1-CB 3.88Å; L188-R208 HydrophobicContact CD2-CB 4.09Å; L188-R208 HydrophobicContact CG-CB 4Å; R208-E210 HydrophobicContact CG-CG 4.12Å; R208-E210 IonicContact CZ-OE1 2.71Å; R208-E210 IonicContact NE-OE1 2.79Å; R208-E210 PolarHBondContact NE-OE1 3.35Å; R208-E210 IonicContact NH2-OE1 3.14Å; R208-E210 PolarHBondContact NH2-OE1 3.04Å
209	I	98.7	Very high	96.2	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.7	171.7	-58.9	-175.4	0	0	0	108.2	V138 L142 C150 A151 L153 T179 A183 R184 V185 V207	V138-I209 HydrophobicContact CG1-CD1 4.25Å; V138-I209 HydrophobicContact CG2-CD1 4.25Å; L142-I209 HydrophobicContact CD2-CG2 4.07Å; C150-I209 CarbonylContact C-O 3.5Å; C150-I209 WeakPolarHBondContact CA-O 3.33Å; A151-I209 HydrophobicContact CB-CB 4.4Å; A151-I209 PolarHBondContact N-O 3.03Å; A151-I209 PolarHBondContact O-N 3.32Å; L153-I209 HydrophobicContact CD1-CD1 3.73Å; L153-I209 HydrophobicContact CD1-CG1 4.35Å; T179-I209 HydrophobicContact CG2-CD1 4.48Å; A183-I209 HydrophobicContact CB-CG2 3.57Å; R184-I209 WeakPolarHBondContact O-CA 3.24Å; V185-I209 HydrophobicContact CG1-CG1 4.23Å; V207-I209 HydrophobicContact CG1-CG1 4.18Å
210	E	98.6	Very high	96.3	Very high	29 Å²	29	53 Å²	53	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	111.2	175.7	-57.4	-168.4	153	0	0	109.8	C150 A183 R184 R208 K212	C150-E210 HydrophobicContact CB-CG 3.94Å; A183-E210 CarbonylContact C-O 3.58Å; A183-E210 WeakPolarHBondContact CA-O 3.49Å; A183-E210 VanDerWaalsContact CB-O 3.23Å; A183-E210 WeakPolarHBondContact CB-O 3.49Å; R184-E210 HydrophobicContact CB-CB 4.37Å; R184-E210 IonicContact CZ-OE2 3.27Å; R184-E210 PolarHBondContact N-O 3.23Å; R184-E210 IonicContact NE-OE2 2.94Å; R184-E210 PolarHBondContact NE-OE2 2.99Å; R184-E210 VanDerWaalsContact NE-OE2 3.14Å; R184-E210 IonicContact NH2-OE2 2.94Å; R184-E210 PolarHBondContact NH2-OE2 2.86Å; R184-E210 PolarHBondContact O-N 3.41Å; R208-E210 HydrophobicContact CG-CG 4.12Å; R208-E210 IonicContact CZ-OE1 2.71Å; R208-E210 IonicContact NE-OE1 2.79Å; R208-E210 PolarHBondContact NE-OE1 3.35Å; R208-E210 IonicContact NH2-OE1 3.14Å; R208-E210 PolarHBondContact NH2-OE1 3.04Å; E210-K212 PolarHBondContact O-N 3.01Å
211	P	98.3	Very high	96.3	Very high	11 Å²	11	58.5 Å²	58.5	7%	0.071	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	136.9	176.7	-23.7	33.8	0	0	0	111.3	F147 F148 N213	F147-P211 HydrophobicContact CD1-CB 3.59Å; F147-P211 HydrophobicContact CD1-CG 4.34Å; F147-P211 HydrophobicContact CE1-CB 3.94Å; F148-P211 HydrophobicContact CD1-CG 4.04Å; F148-P211 HydrophobicContact CD2-CG 3.99Å; F148-P211 HydrophobicContact CE1-CG 3.59Å; F148-P211 HydrophobicContact CE2-CG 3.53Å; F148-P211 HydrophobicContact CG-CG 4.22Å; F148-P211 HydrophobicContact CZ-CG 3.32Å; P211-N213 PolarHBondContact O-N 2.85Å
212	K	98.1	Very high	96.5	Very high	53 Å²	53	49.2 Å²	49.2	23%	0.23	27%	0.267	C	S	.	.			trans	-72.8	125.8	168.8	-64.3	-179.3	-168.4	165.2	0	108	Q180 L181 L182 E210 P214 P215	Q180-K212 VanDerWaalsContact O-CE 3.3Å; Q180-K212 WeakPolarHBondContact O-CE 3.25Å; Q180-K212 PolarHBondContact O-NZ 3.41Å; L181-K212 WeakPolarHBondContact O-CD 3.35Å; L181-K212 WeakPolarHBondContact O-CE 3.47Å; L181-K212 PolarHBondContact O-NZ 3Å; L182-K212 PolarHBondContact O-N 2.98Å; E210-K212 PolarHBondContact O-N 3.01Å; K212-P214 CarbonylContact C-O 3.58Å; K212-P214 CarbonylContact O-C 3.52Å; K212-P215 WeakPolarHBondContact O-CA 3.42Å
213	N	95.5	Very high	96.7	Very high	116 Å²	116	46.4 Å²	46.4	62%	0.62	25%	0.25	S	S	*	.	S	Bend	trans	-131	112	178.2	-173.4	14.7	0	0	0	109.3	F147 P211	F147-N213 HydrophobicContact CD2-CB 4.05Å; F147-N213 VanDerWaalsContact CD2-CG 3.5Å; F147-N213 WeakPolarHBondContact CD2-OD1 3.43Å; F147-N213 HydrophobicContact CE2-CB 4.34Å; F147-N213 HydrophobicContact CG-CB 4.3Å; P211-N213 PolarHBondContact O-N 2.85Å
214	P	94.9	Very high	96.6	Very high	109 Å²	109	43.2 Å²	43.2	71%	0.708	24%	0.236	S	C	*	.	S	Bend	cis	-69.1	152.2	-1	29.9	-35	0	0	0	112.4	K212	K212-P214 CarbonylContact C-O 3.58Å; K212-P214 CarbonylContact O-C 3.52Å
215	P	94.1	Very high	96.7	Very high	42 Å²	42	43.9 Å²	43.9	27%	0.273	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-72.3	159.3	170.2	33.8	-35.7	0	0	0	109.7	F147 K212	F147-P215 HydrophobicContact CZ-CB 4.37Å; F147-P215 HydrophobicContact CZ-CG 3.87Å; K212-P215 WeakPolarHBondContact O-CA 3.42Å
216	P	94.4	Very high	96.7	Very high	33 Å²	33	43.9 Å²	43.9	21%	0.214	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-54.4	137.3	170.1	-24.3	34.6	0	0	0	110.7	L181 I218	L181-P216 HydrophobicContact CD1-CB 4.27Å; L181-P216 HydrophobicContact CD1-CG 3.96Å; P216-I218 HydrophobicContact CB-CD1 3.98Å; P216-I218 HydrophobicContact CB-CG1 4.05Å; P216-I218 PolarHBondContact O-N 3Å
217	P	95.3	Very high	96.7	Very high	141 Å²	141	43.9 Å²	43.9	92%	0.916	24%	0.242	S	C	*	.	S	Bend	trans	-77.2	61.2	-177.7	33.7	-37	0	0	0	111
218	I	95.3	Very high	96.6	Very high	43 Å²	43	50.1 Å²	50.1	22%	0.221	27%	0.266	C	S	.	.			trans	-119.3	131	-175	-58.8	-179.6	0	0	0	108.5	L181 P216 F220 W223 I299 L302	L181-I218 HydrophobicContact CD1-CD1 4.14Å; P216-I218 HydrophobicContact CB-CD1 3.98Å; P216-I218 HydrophobicContact CB-CG1 4.05Å; P216-I218 PolarHBondContact O-N 3Å; I218-F220 PolarHBondContact O-N 3.25Å; I218-W223 HydrophobicContact CD1-CE3 4.41Å; I218-W223 HydrophobicContact CG2-CB 3.88Å; I218-W223 HydrophobicContact CG2-CE3 4.3Å; I218-I299 HydrophobicContact CD1-CD1 3.7Å; I218-I299 HydrophobicContact CD1-CG1 3.57Å; I218-L302 HydrophobicContact CG2-CD2 3.98Å
219	N	95.3	Very high	96.6	Very high	100 Å²	100	48.4 Å²	48.4	54%	0.535	26%	0.261	S	S	.	.			trans	-63.5	117.9	170.2	-178.1	-49.6	0	0	0	109.1	Q221 E222 W223	N219-Q221 VanDerWaalsContact C-N 3.34Å; N219-Q221 PolarHBondContact O-N 3.33Å; N219-Q221 WeakPolarHBondContact OD1-CB 3.41Å; N219-Q221 PolarHBondContact OD1-N 3.04Å; N219-E222 HydrophobicContact CB-CB 3.83Å; N219-E222 WeakPolarHBondContact O-CB 2.95Å; N219-E222 PolarHBondContact O-N 2.89Å; N219-E222 PolarHBondContact OD1-N 3.4Å; N219-E222 VanDerWaalsContact OD1-N 3.15Å; N219-W223 WeakPolarHBondContact O-CB 3.41Å; N219-W223 PolarHBondContact O-N 3.25Å
220	F	93.9	Very high	96.6	Very high	37 Å²	37	48.4 Å²	48.4	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-32	-173.8	-176.5	-98	0	0	0	113.3	F139 N178 L182 I218 D224	F139-F220 HydrophobicContact CD1-CE1 4.47Å; F139-F220 AromaticContact CD1-CZ 3.95Å; F139-F220 HydrophobicContact CD1-CZ 3.95Å; F139-F220 HydrophobicContact CE1-CE1 4.44Å; F139-F220 HydrophobicContact CE1-CE2 4.32Å; F139-F220 AromaticContact CE1-CZ 3.59Å; F139-F220 HydrophobicContact CE1-CZ 3.59Å; N178-F220 HydrophobicContact CB-CE2 4.32Å; N178-F220 HydrophobicContact CB-CZ 4.41Å; L182-F220 HydrophobicContact CD1-CD2 3.89Å; L182-F220 HydrophobicContact CD1-CE2 3.85Å; I218-F220 PolarHBondContact O-N 3.25Å; F220-D224 HydrophobicContact CE1-CB 4.23Å; F220-D224 HydrophobicContact CZ-CB 4.45Å; F220-D224 VanDerWaalsContact O-CB 3.23Å; F220-D224 WeakPolarHBondContact O-CB 3.35Å; F220-D224 PolarHBondContact O-N 3.03Å
221	Q	94.4	Very high	96.6	Very high	120 Å²	120	48.2 Å²	48.2	56%	0.561	26%	0.259	S	S	*	.	H	α-helix	trans	-69	-42.7	178.1	-61.2	-61.1	-9.9	0	0	110.8	N219 D224 G225	N219-Q221 VanDerWaalsContact C-N 3.34Å; N219-Q221 PolarHBondContact O-N 3.33Å; N219-Q221 WeakPolarHBondContact OD1-CB 3.41Å; N219-Q221 PolarHBondContact OD1-N 3.04Å; Q221-D224 PolarHBondContact O-N 3.36Å; Q221-G225 PolarHBondContact O-N 2.96Å
222	E	97.4	Very high	96.5	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-50	175.1	-172.9	62.1	-159.7	0	0	111.3	N219 G225 L226 L302 N306 H311 F312 S313	N219-E222 HydrophobicContact CB-CB 3.83Å; N219-E222 WeakPolarHBondContact O-CB 2.95Å; N219-E222 PolarHBondContact O-N 2.89Å; N219-E222 PolarHBondContact OD1-N 3.4Å; N219-E222 VanDerWaalsContact OD1-N 3.15Å; E222-G225 PolarHBondContact O-N 2.83Å; E222-L226 PolarHBondContact O-N 2.9Å; E222-L302 HydrophobicContact CG-CD1 3.81Å; E222-L302 HydrophobicContact CG-CD2 4.28Å; E222-N306 PolarHBondContact OE1-OD1 3.01Å; E222-N306 VanDerWaalsContact OE1-OD1 3.06Å; E222-H311 WeakPolarHBondContact OE1-CA 3.44Å; E222-H311 IonicContact OE1-ND1 2.77Å; E222-F312 WeakPolarHBondContact O-CB 3.35Å; E222-F312 WeakPolarHBondContact OE1-CD2 3.28Å; E222-F312 PolarHBondContact OE1-N 3.48Å; E222-F312 PolarHBondContact OE2-N 2.96Å; E222-S313 PolarHBondContact OE2-N 3.42Å; E222-S313 PolarHBondContact OE2-OG 3.22Å
223	W	98	Very high	96.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.4	-50.2	173.7	170.3	-88.2	0	0	0	112.6	I177 N178 L181 I218 N219 G225 L226 V227 I295 F298 I299 L302	I177-W223 HydrophobicContact CD1-CH2 4.16Å; I177-W223 HydrophobicContact CD1-CZ2 3.87Å; I177-W223 HydrophobicContact CG1-CH2 4.5Å; I177-W223 HydrophobicContact CG1-CZ2 3.92Å; N178-W223 PolarHBondContact OD1-NE1 2.9Å; L181-W223 HydrophobicContact CB-CZ2 4.2Å; L181-W223 HydrophobicContact CD1-CH2 4.15Å; L181-W223 HydrophobicContact CD1-CZ2 4.26Å; L181-W223 HydrophobicContact CD1-CZ3 4.3Å; L181-W223 HydrophobicContact CD2-CD2 3.68Å; L181-W223 HydrophobicContact CD2-CE3 4.28Å; L181-W223 HydrophobicContact CD2-CG 3.8Å; L181-W223 HydrophobicContact CD2-CZ2 4.15Å; L181-W223 HydrophobicContact CG-CZ2 4.42Å; I218-W223 HydrophobicContact CD1-CE3 4.41Å; I218-W223 HydrophobicContact CG2-CB 3.88Å; I218-W223 HydrophobicContact CG2-CE3 4.3Å; N219-W223 WeakPolarHBondContact O-CB 3.41Å; N219-W223 PolarHBondContact O-N 3.25Å; W223-G225 VanDerWaalsContact C-N 3.29Å; W223-G225 PolarHBondContact O-N 3.47Å; W223-L226 PolarHBondContact O-N 2.81Å; W223-V227 HydrophobicContact CD2-CG2 4.17Å; W223-V227 HydrophobicContact CG-CG2 4.43Å; W223-V227 HydrophobicContact CZ2-CG2 4Å; W223-V227 WeakPolarHBondContact O-CB 3.49Å; W223-V227 WeakPolarHBondContact O-CG2 3.24Å; W223-V227 PolarHBondContact O-N 3.15Å; W223-I295 HydrophobicContact CH2-CG2 4.15Å; W223-F298 HydrophobicContact CH2-CB 3.34Å; W223-F298 HydrophobicContact CH2-CG 4.23Å; W223-F298 HydrophobicContact CZ2-CB 4.21Å; W223-F298 HydrophobicContact CZ3-CB 3.53Å; W223-I299 HydrophobicContact CH2-CG1 4.49Å; W223-I299 HydrophobicContact CZ3-CG1 3.78Å; W223-L302 HydrophobicContact CB-CD2 4.48Å; W223-L302 HydrophobicContact CE3-CD2 4.36Å
224	D	96.5	Very high	96.6	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-32.6	-177.5	-174.2	70	0	0	0	112.2	R174 N178 F220 Q221 R228	R174-D224 IonicContact CZ-OD1 2.74Å; R174-D224 IonicContact CZ-OD2 3.72Å; R174-D224 IonicContact NE-OD1 3.84Å; R174-D224 PolarHBondContact NE-OD1 3.31Å; R174-D224 IonicContact NE-OD2 2.88Å; R174-D224 IonicContact NH2-OD1 2.84Å; R174-D224 PolarHBondContact NH2-OD1 3.18Å; R174-D224 IonicContact NH2-OD2 3.31Å; R174-D224 PolarHBondContact NH2-OD2 2.86Å; N178-D224 PolarHBondContact ND2-OD1 2.74Å; F220-D224 HydrophobicContact CE1-CB 4.23Å; F220-D224 HydrophobicContact CZ-CB 4.45Å; F220-D224 VanDerWaalsContact O-CB 3.23Å; F220-D224 WeakPolarHBondContact O-CB 3.35Å; F220-D224 PolarHBondContact O-N 3.03Å; Q221-D224 PolarHBondContact O-N 3.36Å; D224-R228 WeakPolarHBondContact O-CB 3.37Å; D224-R228 PolarHBondContact O-N 2.97Å; D224-R228 IonicContact OD2-CZ 2.69Å; D224-R228 IonicContact OD2-NE 3.08Å; D224-R228 IonicContact OD2-NH2 3.05Å; D224-R228 PolarHBondContact OD2-NH2 2.94Å
225	G	97.8	Very high	96.7	Very high	14 Å²	14	53.2 Å²	53.2	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-50.7	173.6	0	0	0	0	0	111.8	Q221 E222 W223 R228 I229	Q221-G225 PolarHBondContact O-N 2.96Å; E222-G225 PolarHBondContact O-N 2.83Å; W223-G225 VanDerWaalsContact C-N 3.29Å; W223-G225 PolarHBondContact O-N 3.47Å; G225-R228 PolarHBondContact O-N 3.21Å; G225-I229 WeakPolarHBondContact O-CG1 3.34Å; G225-I229 PolarHBondContact O-N 3.43Å
226	L	98.6	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-52.3	174.4	171.7	62.3	0	0	0	111.6	E222 W223 R228 I229 T230 F242 F298 L301 L302 F312	E222-L226 PolarHBondContact O-N 2.9Å; W223-L226 PolarHBondContact O-N 2.81Å; L226-R228 VanDerWaalsContact C-N 3.26Å; L226-R228 PolarHBondContact O-N 2.93Å; L226-I229 PolarHBondContact O-N 2.92Å; L226-T230 HydrophobicContact CD1-CG2 3.89Å; L226-T230 WeakPolarHBondContact O-CG2 3.27Å; L226-T230 PolarHBondContact O-N 3.48Å; L226-T230 VanDerWaalsContact O-N 3.12Å; L226-T230 PolarHBondContact O-OG1 2.83Å; L226-F242 HydrophobicContact CD1-CZ 3.78Å; L226-F298 HydrophobicContact CD2-CD1 3.99Å; L226-F298 HydrophobicContact CG-CD1 4.15Å; L226-F298 HydrophobicContact CG-CE1 4.38Å; L226-L301 HydrophobicContact CD1-CD2 3.98Å; L226-L301 HydrophobicContact CD1-CG 4.37Å; L226-L301 HydrophobicContact CD2-CB 4.49Å; L226-L301 HydrophobicContact CD2-CD2 4.33Å; L226-L301 HydrophobicContact CD2-CG 4.29Å; L226-L302 HydrophobicContact CB-CD1 4.43Å; L226-L302 HydrophobicContact CD2-CB 3.68Å; L226-L302 HydrophobicContact CD2-CD1 4.11Å; L226-L302 HydrophobicContact CD2-CG 4.43Å; L226-F312 HydrophobicContact CB-CD1 4.08Å; L226-F312 HydrophobicContact CB-CD2 3.88Å; L226-F312 HydrophobicContact CB-CE1 4.08Å; L226-F312 HydrophobicContact CB-CE2 3.9Å; L226-F312 HydrophobicContact CB-CG 3.98Å; L226-F312 HydrophobicContact CB-CZ 4.02Å; L226-F312 HydrophobicContact CD1-CE1 3.87Å; L226-F312 HydrophobicContact CD1-CE2 3.97Å; L226-F312 HydrophobicContact CD1-CZ 3.47Å; L226-F312 VanDerWaalsContact CD1-CZ 3.47Å; L226-F312 HydrophobicContact CG-CE2 4.33Å; L226-F312 HydrophobicContact CG-CZ 4.25Å
227	V	98.1	Very high	97.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-38.8	-178.7	171.9	0	0	0	0	110.9	R174 I177 W223 I229 T230 F231 F298	R174-V227 HydrophobicContact CB-CG1 3.9Å; R174-V227 HydrophobicContact CG-CG1 3.66Å; I177-V227 HydrophobicContact CG2-CG1 3.57Å; I177-V227 HydrophobicContact CG2-CG2 4.13Å; W223-V227 HydrophobicContact CD2-CG2 4.17Å; W223-V227 HydrophobicContact CG-CG2 4.43Å; W223-V227 HydrophobicContact CZ2-CG2 4Å; W223-V227 WeakPolarHBondContact O-CB 3.49Å; W223-V227 WeakPolarHBondContact O-CG2 3.24Å; W223-V227 PolarHBondContact O-N 3.15Å; V227-I229 PolarHBondContact O-N 3.18Å; V227-T230 PolarHBondContact O-N 2.95Å; V227-T230 PolarHBondContact O-OG1 2.9Å; V227-F231 HydrophobicContact CB-CD2 4.47Å; V227-F231 HydrophobicContact CG1-CD2 3.52Å; V227-F231 HydrophobicContact CG1-CE2 3.81Å; V227-F231 HydrophobicContact CG1-CG 4.46Å; V227-F231 WeakPolarHBondContact O-CB 3.24Å; V227-F231 VanDerWaalsContact O-CD2 3.3Å; V227-F231 WeakPolarHBondContact O-CD2 3.31Å; V227-F231 PolarHBondContact O-N 2.95Å; V227-F298 HydrophobicContact CG2-CD1 3.88Å; V227-F298 HydrophobicContact CG2-CE1 3.96Å
228	R	97.7	Very high	97.2	Very high	131 Å²	131	49.9 Å²	49.9	49%	0.494	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-47	177.5	-177.4	-177.5	-55.4	-147.7	4.6	111.6	R174 D224 G225 L226 V232	R174-R228 VanDerWaalsContact NH2-NH2 3.12Å; D224-R228 WeakPolarHBondContact O-CB 3.37Å; D224-R228 PolarHBondContact O-N 2.97Å; D224-R228 IonicContact OD2-CZ 2.69Å; D224-R228 IonicContact OD2-NE 3.08Å; D224-R228 IonicContact OD2-NH2 3.05Å; D224-R228 PolarHBondContact OD2-NH2 2.94Å; G225-R228 PolarHBondContact O-N 3.21Å; L226-R228 VanDerWaalsContact C-N 3.26Å; L226-R228 PolarHBondContact O-N 2.93Å; R228-V232 WeakPolarHBondContact O-CG2 3.32Å; R228-V232 PolarHBondContact O-N 2.72Å
229	I	98.3	Very high	97.4	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-50	179.4	-71.2	162	0	0	0	110.7	G225 L226 V227 F231 F242 V247 L250 F312	G225-I229 WeakPolarHBondContact O-CG1 3.34Å; G225-I229 PolarHBondContact O-N 3.43Å; L226-I229 PolarHBondContact O-N 2.92Å; V227-I229 PolarHBondContact O-N 3.18Å; I229-F231 PolarHBondContact O-N 2.85Å; I229-F242 HydrophobicContact CG2-CD1 4.24Å; I229-F242 HydrophobicContact CG2-CE1 4.01Å; I229-F242 HydrophobicContact CG2-CZ 4.35Å; I229-V247 HydrophobicContact CD1-CG1 4.06Å; I229-V247 HydrophobicContact CG1-CG1 4.43Å; I229-V247 HydrophobicContact CG1-CG2 4.22Å; I229-V247 HydrophobicContact CG2-CG1 3.92Å; I229-V247 HydrophobicContact CG2-CG2 4Å; I229-L250 HydrophobicContact CD1-CD2 4.42Å; I229-F312 HydrophobicContact CD1-CD1 3.59Å; I229-F312 HydrophobicContact CD1-CE1 3.64Å
230	T	98.3	Very high	97.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-72.9	-30.3	-172.7	63.1	0	0	0	0	113.1	L226 V227 L238 F242 A290 F298	L226-T230 HydrophobicContact CD1-CG2 3.89Å; L226-T230 WeakPolarHBondContact O-CG2 3.27Å; L226-T230 PolarHBondContact O-N 3.48Å; L226-T230 VanDerWaalsContact O-N 3.12Å; L226-T230 PolarHBondContact O-OG1 2.83Å; V227-T230 PolarHBondContact O-N 2.95Å; V227-T230 PolarHBondContact O-OG1 2.9Å; T230-L238 HydrophobicContact CG2-CD2 3.53Å; T230-F242 HydrophobicContact CG2-CE2 4.25Å; T230-F242 HydrophobicContact CG2-CZ 4.28Å; T230-A290 WeakPolarHBondContact O-CB 3.28Å; T230-F298 HydrophobicContact CG2-CE1 4.1Å; T230-F298 WeakPolarHBondContact OG1-CE1 3.37Å; T230-F298 VanDerWaalsContact OG1-CZ 3.32Å; T230-F298 WeakPolarHBondContact OG1-CZ 3.47Å
231	F	98.3	Very high	97.7	Very high	24 Å²	24	44.4 Å²	44.4	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-85.7	-7.8	180	-82.3	-91.2	0	0	0	115	Y172 R174 I177 V227 I229 R233 K234 A290 F298	Y172-F231 AromaticContact CD1-CE1 4Å; Y172-F231 HydrophobicContact CD1-CE1 4Å; Y172-F231 HydrophobicContact CD1-CZ 4.1Å; Y172-F231 HydrophobicContact CE1-CE1 4.08Å; Y172-F231 AromaticContact CE1-CZ 3.7Å; Y172-F231 HydrophobicContact CE1-CZ 3.7Å; R174-F231 HydrophobicContact CB-CB 4.19Å; R174-F231 HydrophobicContact CB-CG 4.26Å; I177-F231 HydrophobicContact CG2-CE2 3.89Å; I177-F231 HydrophobicContact CG2-CZ 4.17Å; V227-F231 HydrophobicContact CB-CD2 4.47Å; V227-F231 HydrophobicContact CG1-CD2 3.52Å; V227-F231 HydrophobicContact CG1-CE2 3.81Å; V227-F231 HydrophobicContact CG1-CG 4.46Å; V227-F231 WeakPolarHBondContact O-CB 3.24Å; V227-F231 VanDerWaalsContact O-CD2 3.3Å; V227-F231 WeakPolarHBondContact O-CD2 3.31Å; V227-F231 PolarHBondContact O-N 2.95Å; I229-F231 PolarHBondContact O-N 2.85Å; F231-R233 PolarHBondContact O-N 2.98Å; F231-K234 HydrophobicContact CD1-CB 3.92Å; F231-K234 HydrophobicContact CE1-CB 4.46Å; F231-A290 HydrophobicContact CD1-CB 4.4Å; F231-A290 HydrophobicContact CD2-CB 4.07Å; F231-A290 HydrophobicContact CE1-CB 4.38Å; F231-A290 HydrophobicContact CE2-CB 4.08Å; F231-A290 HydrophobicContact CG-CB 4.28Å; F231-A290 HydrophobicContact CZ-CB 4.24Å; F231-F298 HydrophobicContact CD2-CZ 4.04Å; F231-F298 HydrophobicContact CE2-CE1 4.31Å; F231-F298 AromaticContact CE2-CE2 3.76Å; F231-F298 HydrophobicContact CE2-CE2 3.76Å; F231-F298 AromaticContact CE2-CZ 3.42Å; F231-F298 HydrophobicContact CE2-CZ 3.42Å; F231-F298 VanDerWaalsContact CE2-CZ 3.42Å; F231-F298 HydrophobicContact CZ-CE2 4.28Å; F231-F298 HydrophobicContact CZ-CZ 4.3Å
232	V	97.4	Very high	97.8	Very high	114 Å²	114	38.9 Å²	38.9	69%	0.691	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-45.5	174.4	177.3	0	0	0	0	110.8	R228	R228-V232 WeakPolarHBondContact O-CG2 3.32Å; R228-V232 PolarHBondContact O-N 2.72Å
233	R	96.4	Very high	97.8	Very high	146 Å²	146	45.1 Å²	45.1	55%	0.551	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.1	69.9	171.8	-62	-163.6	-59.4	-160	-0.4	110.4	F231 N235 K236	F231-R233 PolarHBondContact O-N 2.98Å; R233-N235 PolarHBondContact O-N 3.45Å; R233-K236 HydrophobicContact CB-CB 4.13Å; R233-K236 HydrophobicContact CB-CG 3.87Å; R233-K236 PolarHBondContact O-N 2.79Å
234	K	97.6	Very high	97.7	Very high	48 Å²	48	47.9 Å²	47.9	21%	0.209	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-21.2	-174.1	72.3	179.5	-172.8	178.7	0	117.1	K170 Y172 F231 A290 R291	K170-K234 PolarHBondContact O-NZ 3.49Å; Y172-K234 WeakPolarHBondContact O-CD 3.38Å; Y172-K234 PolarHBondContact O-NZ 3.16Å; F231-K234 HydrophobicContact CD1-CB 3.92Å; F231-K234 HydrophobicContact CE1-CB 4.46Å; K234-A290 HydrophobicContact CB-CB 4.39Å; K234-R291 HydrophobicContact CB-CB 4.23Å; K234-R291 HydrophobicContact CD-CB 4.39Å; K234-R291 HydrophobicContact CG-CB 4.17Å; K234-R291 VanDerWaalsContact O-CB 3.3Å; K234-R291 WeakPolarHBondContact O-CB 3.33Å; K234-R291 PolarHBondContact O-N 3.22Å
235	N	98	Very high	97.7	Very high	87 Å²	87	51.2 Å²	51.2	47%	0.465	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.5	178.5	-65.8	-55.9	0	0	0	114.1	R233 R289 R291	R233-N235 PolarHBondContact O-N 3.45Å; N235-R289 VanDerWaalsContact O-CD 3.26Å; N235-R289 WeakPolarHBondContact O-CD 3.44Å; N235-R289 PolarHBondContact O-NE 3.36Å; N235-R291 WeakPolarHBondContact OD1-CD 3.29Å; N235-R291 PolarHBondContact OD1-NH1 3.23Å
236	K	98.2	Very high	97.7	Very high	118 Å²	118	53.7 Å²	53.7	51%	0.513	28%	0.283	S	S	.	.	S	Bend	trans	-90.5	158.3	174.8	-63.7	-64.3	-175.1	174.5	0	109.7	R233 A240	R233-K236 HydrophobicContact CB-CB 4.13Å; R233-K236 HydrophobicContact CB-CG 3.87Å; R233-K236 PolarHBondContact O-N 2.79Å; K236-A240 HydrophobicContact CB-CB 4.4Å
237	T	98.5	Very high	97.7	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-64.9	156.7	177.6	58.3	0	0	0	0	110.6	S239 A240 A241 S286 K288	T237-S239 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact OG1-OG 2.93Å; T237-A240 PolarHBondContact O-N 2.88Å; T237-A240 WeakPolarHBondContact OG1-CB 3.39Å; T237-A240 PolarHBondContact OG1-N 3.18Å; T237-A241 PolarHBondContact O-N 2.8Å; T237-A241 VanDerWaalsContact O-N 3.09Å; T237-S286 WeakPolarHBondContact CB-O 3.45Å; T237-K288 CarbonylContact C-O 3.24Å; T237-K288 VanDerWaalsContact CA-O 3.27Å; T237-K288 WeakPolarHBondContact CA-O 3.32Å
238	L	98.4	Very high	97.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-41.2	175.5	-66.6	-176.6	0	0	0	111.4	T230 A240 A241 F242 L280 F285 K288 M293 L301	T230-L238 HydrophobicContact CG2-CD2 3.53Å; L238-A240 PolarHBondContact O-N 3.44Å; L238-A241 WeakPolarHBondContact O-CA 3.29Å; L238-A241 WeakPolarHBondContact O-CB 3.07Å; L238-A241 PolarHBondContact O-N 3.18Å; L238-F242 HydrophobicContact CB-CD2 4.36Å; L238-F242 HydrophobicContact CB-CE2 4.33Å; L238-F242 WeakPolarHBondContact O-CD2 3.32Å; L238-F242 PolarHBondContact O-N 3.09Å; L238-L280 HydrophobicContact CB-CD2 4.34Å; L238-F285 WeakPolarHBondContact CB-O 3.49Å; L238-F285 HydrophobicContact CD1-CB 3.76Å; L238-F285 HydrophobicContact CD1-CD1 3.98Å; L238-F285 HydrophobicContact CD1-CG 4.22Å; L238-F285 WeakPolarHBondContact CD1-O 3.31Å; L238-K288 HydrophobicContact CD1-CB 4.45Å; L238-K288 PolarHBondContact N-O 3Å; L238-M293 HydrophobicContact CD1-CE 3.85Å; L238-M293 HydrophobicContact CD1-SD 3.61Å; L238-M293 HydrophobicContact CD2-SD 4.18Å; L238-M293 HydrophobicContact CG-SD 4.13Å; L238-L301 HydrophobicContact CD1-CD2 3.6Å
239	S	97.8	Very high	97.7	Very high	18 Å²	18	56.8 Å²	56.8	13%	0.126	30%	0.304	C	S	.	.	H	α-helix	trans	-51.9	-43.2	173	60.3	0	0	0	0	112.1	T237 A241 K243 S286	T237-S239 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact OG1-OG 2.93Å; S239-A241 VanDerWaalsContact C-N 3.35Å; S239-A241 PolarHBondContact O-N 3.24Å; S239-K243 VanDerWaalsContact O-CG 3.28Å; S239-K243 WeakPolarHBondContact O-CG 3.39Å; S239-K243 PolarHBondContact O-N 3.28Å; S239-S286 WeakPolarHBondContact CB-O 3.46Å; S239-S286 PolarHBondContact N-O 2.7Å; S239-S286 PolarHBondContact OG-O 3.45Å; S239-S286 VanDerWaalsContact OG-O 3.12Å
240	A	97.9	Very high	97.7	Very high	30 Å²	30	58.8 Å²	58.8	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-73.4	-22.4	177.1	0	0	0	0	0	114	K236 T237 L238	K236-A240 HydrophobicContact CB-CB 4.4Å; T237-A240 PolarHBondContact O-N 2.88Å; T237-A240 WeakPolarHBondContact OG1-CB 3.39Å; T237-A240 PolarHBondContact OG1-N 3.18Å; L238-A240 PolarHBondContact O-N 3.44Å
241	A	97.4	Very high	97.7	Very high	17 Å²	17	58.7 Å²	58.7	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-75.4	-41.5	174.2	0	0	0	0	0	111.2	T237 L238 S239	T237-A241 PolarHBondContact O-N 2.8Å; T237-A241 VanDerWaalsContact O-N 3.09Å; L238-A241 WeakPolarHBondContact O-CA 3.29Å; L238-A241 WeakPolarHBondContact O-CB 3.07Å; L238-A241 PolarHBondContact O-N 3.18Å; S239-A241 VanDerWaalsContact C-N 3.35Å; S239-A241 PolarHBondContact O-N 3.24Å
242	F	97.9	Very high	97.7	Very high	5 Å²	5	60 Å²	60	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-79.8	-13.6	-178.8	-73.4	-76.3	0	0	0	114.7	L226 I229 T230 L238 S244 V247 Q248 L251 I276 L280 F305 F312	L226-F242 HydrophobicContact CD1-CZ 3.78Å; I229-F242 HydrophobicContact CG2-CD1 4.24Å; I229-F242 HydrophobicContact CG2-CE1 4.01Å; I229-F242 HydrophobicContact CG2-CZ 4.35Å; T230-F242 HydrophobicContact CG2-CE2 4.25Å; T230-F242 HydrophobicContact CG2-CZ 4.28Å; L238-F242 HydrophobicContact CB-CD2 4.36Å; L238-F242 HydrophobicContact CB-CE2 4.33Å; L238-F242 WeakPolarHBondContact O-CD2 3.32Å; L238-F242 PolarHBondContact O-N 3.09Å; F242-S244 PolarHBondContact O-N 2.78Å; F242-V247 HydrophobicContact CD1-CG1 3.75Å; F242-V247 HydrophobicContact CE1-CG1 4.39Å; F242-Q248 VanDerWaalsContact O-CG 3.32Å; F242-Q248 WeakPolarHBondContact O-CG 3.44Å; F242-L251 HydrophobicContact CD1-CD1 3.83Å; F242-L251 HydrophobicContact CE1-CD1 3.92Å; F242-I276 HydrophobicContact CB-CG2 3.75Å; F242-I276 HydrophobicContact CD1-CG2 4.25Å; F242-I276 HydrophobicContact CG-CG2 3.98Å; F242-L280 HydrophobicContact CB-CD1 4.49Å; F242-L280 HydrophobicContact CD2-CD1 3.9Å; F242-L280 HydrophobicContact CD2-CD2 4.14Å; F242-L280 HydrophobicContact CE2-CD2 4.08Å; F242-L280 HydrophobicContact CG-CD1 4.49Å; F242-F305 HydrophobicContact CD1-CZ 4.31Å; F242-F305 HydrophobicContact CD2-CZ 4.49Å; F242-F305 HydrophobicContact CE1-CE2 4.13Å; F242-F305 AromaticContact CE1-CZ 3.81Å; F242-F305 HydrophobicContact CE1-CZ 3.81Å; F242-F305 HydrophobicContact CE2-CE2 4.11Å; F242-F305 HydrophobicContact CE2-CZ 4.05Å; F242-F305 AromaticContact CZ-CE2 3.63Å; F242-F305 HydrophobicContact CZ-CE2 3.63Å; F242-F305 AromaticContact CZ-CZ 3.68Å; F242-F305 HydrophobicContact CZ-CZ 3.68Å; F242-F312 AromaticContact CE1-CE1 3.91Å; F242-F312 HydrophobicContact CE1-CE1 3.91Å; F242-F312 HydrophobicContact CE1-CZ 4.05Å; F242-F312 HydrophobicContact CZ-CE1 4.36Å; F242-F312 HydrophobicContact CZ-CZ 4.25Å
243	K	96.6	Very high	97.7	Very high	141 Å²	141	60.2 Å²	60.2	61%	0.613	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-2.9	173.5	-80.6	178.3	-178.1	-168	0	114.9	S239 S245	S239-K243 VanDerWaalsContact O-CG 3.28Å; S239-K243 WeakPolarHBondContact O-CG 3.39Å; S239-K243 PolarHBondContact O-N 3.28Å; K243-S245 PolarHBondContact O-N 3.5Å
244	S	96.5	Very high	97.8	Very high	58 Å²	58	53.8 Å²	53.8	41%	0.406	29%	0.289	S	S	.	.			trans	-69.5	130.1	175.9	177.7	0	0	0	0	110.4	F242 A246 V247 Q248	F242-S244 PolarHBondContact O-N 2.78Å; S244-A246 PolarHBondContact O-N 3.34Å; S244-V247 WeakPolarHBondContact O-CA 3.13Å; S244-V247 WeakPolarHBondContact O-CB 3.43Å; S244-V247 PolarHBondContact O-N 3.04Å; S244-Q248 PolarHBondContact O-N 3.37Å
245	S	96.6	Very high	97.9	Very high	78 Å²	78	52.9 Å²	52.9	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-55.6	-39.3	-179.5	-48.8	0	0	0	0	112.8	K243 V247 Q248 Q249	K243-S245 PolarHBondContact O-N 3.5Å; S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact O-N 3.48Å; S245-Q248 PolarHBondContact O-N 2.95Å; S245-Q249 WeakPolarHBondContact O-CB 3.15Å; S245-Q249 VanDerWaalsContact O-CG 3.24Å; S245-Q249 WeakPolarHBondContact O-CG 3.4Å; S245-Q249 PolarHBondContact O-N 3.22Å
246	A	97.5	Very high	97.9	Very high	65 Å²	65	54.2 Å²	54.2	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-34.5	176.9	0	0	0	0	0	112.6	S244 L250	S244-A246 PolarHBondContact O-N 3.34Å; A246-L250 WeakPolarHBondContact O-CB 3.25Å; A246-L250 PolarHBondContact O-N 2.89Å; A246-L250 VanDerWaalsContact O-N 3.16Å
247	V	97.8	Very high	97.9	Very high	18 Å²	18	53.1 Å²	53.1	11%	0.109	28%	0.282	C	S	.	.	H	α-helix	trans	-72.7	-44.6	176.6	175.8	0	0	0	0	110.3	I229 F242 S244 S245 Q249 L250 L251	I229-V247 HydrophobicContact CD1-CG1 4.06Å; I229-V247 HydrophobicContact CG1-CG1 4.43Å; I229-V247 HydrophobicContact CG1-CG2 4.22Å; I229-V247 HydrophobicContact CG2-CG1 3.92Å; I229-V247 HydrophobicContact CG2-CG2 4Å; F242-V247 HydrophobicContact CD1-CG1 3.75Å; F242-V247 HydrophobicContact CE1-CG1 4.39Å; S244-V247 WeakPolarHBondContact O-CA 3.13Å; S244-V247 WeakPolarHBondContact O-CB 3.43Å; S244-V247 PolarHBondContact O-N 3.04Å; S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact O-N 3.48Å; V247-Q249 PolarHBondContact O-N 3.26Å; V247-L250 PolarHBondContact O-N 3.49Å; V247-L251 HydrophobicContact CG1-CD1 4.02Å; V247-L251 HydrophobicContact CG1-CG 4.37Å; V247-L251 WeakPolarHBondContact O-CG 3.47Å; V247-L251 PolarHBondContact O-N 3Å
248	Q	98.3	Very high	97.9	Very high	44 Å²	44	53.6 Å²	53.6	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-45.7	177.8	-69.3	174.7	-26.9	0	0	111.6	F242 S244 S245 L250 L251 E252 I272 I276	F242-Q248 VanDerWaalsContact O-CG 3.32Å; F242-Q248 WeakPolarHBondContact O-CG 3.44Å; S244-Q248 PolarHBondContact O-N 3.37Å; S245-Q248 PolarHBondContact O-N 2.95Å; Q248-L250 VanDerWaalsContact C-N 3.34Å; Q248-L250 PolarHBondContact O-N 2.94Å; Q248-L251 PolarHBondContact O-N 2.75Å; Q248-E252 VanDerWaalsContact O-CB 3.24Å; Q248-E252 WeakPolarHBondContact O-CB 3.47Å; Q248-E252 PolarHBondContact O-N 3.47Å; Q248-I272 HydrophobicContact CB-CG2 4.05Å; Q248-I276 HydrophobicContact CG-CD1 4.45Å
249	Q	98.2	Very high	97.8	Very high	134 Å²	134	53.7 Å²	53.7	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-41.4	176.1	-73	169.3	1.9	0	0	112.5	S245 V247 K253	S245-Q249 WeakPolarHBondContact O-CB 3.15Å; S245-Q249 VanDerWaalsContact O-CG 3.24Å; S245-Q249 WeakPolarHBondContact O-CG 3.4Å; S245-Q249 PolarHBondContact O-N 3.22Å; V247-Q249 PolarHBondContact O-N 3.26Å; Q249-K253 VanDerWaalsContact O-CB 3.3Å; Q249-K253 WeakPolarHBondContact O-CB 3.27Å; Q249-K253 PolarHBondContact O-N 3.12Å
250	L	98.1	Very high	97.8	Very high	61 Å²	61	57.4 Å²	57.4	32%	0.319	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-51.7	176.3	172.7	63.6	0	0	0	111.4	I229 A246 V247 Q248 K253 N254	I229-L250 HydrophobicContact CD1-CD2 4.42Å; A246-L250 WeakPolarHBondContact O-CB 3.25Å; A246-L250 PolarHBondContact O-N 2.89Å; A246-L250 VanDerWaalsContact O-N 3.16Å; V247-L250 PolarHBondContact O-N 3.49Å; Q248-L250 VanDerWaalsContact C-N 3.34Å; Q248-L250 PolarHBondContact O-N 2.94Å; L250-K253 PolarHBondContact O-N 2.98Å; L250-N254 PolarHBondContact O-N 3.29Å; L250-N254 VanDerWaalsContact O-N 3.1Å; L250-N254 PolarHBondContact O-OD1 2.84Å
251	L	98.3	Very high	97.8	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70.6	-35.2	-176.5	-62.8	-177.4	0	0	0	112.1	F242 V247 Q248 N254 Y255 I272 I276 I310 F312	F242-L251 HydrophobicContact CD1-CD1 3.83Å; F242-L251 HydrophobicContact CE1-CD1 3.92Å; V247-L251 HydrophobicContact CG1-CD1 4.02Å; V247-L251 HydrophobicContact CG1-CG 4.37Å; V247-L251 WeakPolarHBondContact O-CG 3.47Å; V247-L251 PolarHBondContact O-N 3Å; Q248-L251 PolarHBondContact O-N 2.75Å; L251-N254 PolarHBondContact O-N 3.03Å; L251-Y255 VanDerWaalsContact O-CB 3.26Å; L251-Y255 WeakPolarHBondContact O-CB 3.19Å; L251-Y255 PolarHBondContact O-N 3.24Å; L251-I272 HydrophobicContact CB-CD1 4.49Å; L251-I276 HydrophobicContact CB-CD1 4.4Å; L251-I276 HydrophobicContact CD1-CD1 3.75Å; L251-I276 HydrophobicContact CD1-CG1 4.28Å; L251-I310 HydrophobicContact CB-CG2 4.09Å; L251-I310 HydrophobicContact CD1-CG2 4.27Å; L251-I310 HydrophobicContact CD2-CG2 3.88Å; L251-I310 HydrophobicContact CG-CG2 4.28Å; L251-F312 HydrophobicContact CD1-CE1 4.33Å; L251-F312 HydrophobicContact CD2-CD1 3.77Å; L251-F312 HydrophobicContact CD2-CE1 3.71Å; L251-F312 HydrophobicContact CD2-CG 4.47Å; L251-F312 HydrophobicContact CD2-CZ 4.35Å
252	E	98.4	Very high	97.8	Very high	52 Å²	52	65.6 Å²	65.6	24%	0.243	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-46.8	174.3	-176.5	172.2	170.3	0	0	111.4	Q248 N254 Y255 R256 F270 I272	Q248-E252 VanDerWaalsContact O-CB 3.24Å; Q248-E252 WeakPolarHBondContact O-CB 3.47Å; Q248-E252 PolarHBondContact O-N 3.47Å; E252-N254 VanDerWaalsContact C-N 3.31Å; E252-N254 PolarHBondContact O-N 3.24Å; E252-Y255 PolarHBondContact O-N 3.29Å; E252-R256 HydrophobicContact CG-CG 4.41Å; E252-R256 WeakPolarHBondContact O-CB 3.37Å; E252-R256 VanDerWaalsContact O-CG 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.44Å; E252-R256 PolarHBondContact O-N 3.05Å; E252-R256 IonicContact OE1-CZ 2.87Å; E252-R256 VanDerWaalsContact OE1-CZ 3.27Å; E252-R256 IonicContact OE1-NE 3.68Å; E252-R256 PolarHBondContact OE1-NE 3.37Å; E252-R256 IonicContact OE1-NH2 3.77Å; E252-R256 PolarHBondContact OE1-NH2 3.44Å; E252-F270 HydrophobicContact CG-CE1 4.29Å; E252-I272 HydrophobicContact CB-CB 3.93Å; E252-I272 HydrophobicContact CB-CD1 4.38Å; E252-I272 HydrophobicContact CB-CG1 3.87Å; E252-I272 HydrophobicContact CB-CG2 4.05Å; E252-I272 HydrophobicContact CG-CB 4.26Å
253	K	98.3	Very high	97.8	Very high	117 Å²	117	72.5 Å²	72.5	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-56.2	-47.9	175.8	-178.3	-162.9	68.9	172.3	0	110.8	Q249 L250 R256 I257	Q249-K253 VanDerWaalsContact O-CB 3.3Å; Q249-K253 WeakPolarHBondContact O-CB 3.27Å; Q249-K253 PolarHBondContact O-N 3.12Å; L250-K253 PolarHBondContact O-N 2.98Å; K253-R256 PolarHBondContact O-N 3.38Å; K253-I257 HydrophobicContact CG-CD1 4.33Å; K253-I257 WeakPolarHBondContact O-CG1 3.32Å; K253-I257 PolarHBondContact O-N 2.69Å; K253-I257 VanDerWaalsContact O-N 3.08Å
254	N	98.2	Very high	97.8	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.064	37%	0.373	C	S	.	.	H	α-helix	trans	-66.9	-39.4	-179.3	-70.8	3.7	0	0	0	112	L250 L251 E252 I257 H258 H311	L250-N254 PolarHBondContact O-N 3.29Å; L250-N254 VanDerWaalsContact O-N 3.1Å; L250-N254 PolarHBondContact O-OD1 2.84Å; L251-N254 PolarHBondContact O-N 3.03Å; E252-N254 VanDerWaalsContact C-N 3.31Å; E252-N254 PolarHBondContact O-N 3.24Å; N254-I257 PolarHBondContact O-N 2.91Å; N254-H258 PolarHBondContact O-N 3.24Å; N254-H311 WeakPolarHBondContact CB-O 3.34Å; N254-H311 PolarHBondContact ND2-O 3.28Å
255	Y	98.5	Very high	97.9	Very high	29 Å²	29	74.1 Å²	74.1	11%	0.114	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-42.3	174.3	-179	-111.9	0	0	0	112.2	L251 E252 I257 H258 C259 I266 F270 K275 E308 I310	L251-Y255 VanDerWaalsContact O-CB 3.26Å; L251-Y255 WeakPolarHBondContact O-CB 3.19Å; L251-Y255 PolarHBondContact O-N 3.24Å; E252-Y255 PolarHBondContact O-N 3.29Å; Y255-I257 VanDerWaalsContact C-N 3.31Å; Y255-I257 PolarHBondContact O-N 2.84Å; Y255-H258 WeakPolarHBondContact O-CB 3.33Å; Y255-H258 PolarHBondContact O-N 2.56Å; Y255-C259 PolarHBondContact O-N 3.39Å; Y255-C259 PolarHBondContact O-SG 3.1Å; Y255-I266 HydrophobicContact CD1-CD1 4.33Å; Y255-I266 HydrophobicContact CE1-CD1 4.27Å; Y255-I266 HydrophobicContact CE1-CG1 4.4Å; Y255-F270 AromaticContact CD1-CE1 3.91Å; Y255-F270 HydrophobicContact CD1-CE1 3.91Å; Y255-F270 HydrophobicContact CD1-CE2 4.05Å; Y255-F270 AromaticContact CD1-CZ 3.42Å; Y255-F270 HydrophobicContact CD1-CZ 3.42Å; Y255-F270 VanDerWaalsContact CD1-CZ 3.42Å; Y255-F270 HydrophobicContact CE1-CD2 4.32Å; Y255-F270 HydrophobicContact CE1-CE1 4.14Å; Y255-F270 AromaticContact CE1-CE2 3.54Å; Y255-F270 HydrophobicContact CE1-CE2 3.54Å; Y255-F270 AromaticContact CE1-CZ 3.43Å; Y255-F270 HydrophobicContact CE1-CZ 3.43Å; Y255-F270 VanDerWaalsContact CE1-CZ 3.43Å; Y255-F270 HydrophobicContact CG-CZ 4.47Å; Y255-K275 HydrophobicContact CE1-CD 4.29Å; Y255-K275 HydrophobicContact CE2-CD 4.12Å; Y255-K275 VanDerWaalsContact CE2-CE 3.42Å; Y255-E308 WeakPolarHBondContact CE2-O 3.42Å; Y255-I310 HydrophobicContact CD2-CG1 3.96Å; Y255-I310 HydrophobicContact CG-CG1 4.42Å
256	R	98.1	Very high	97.8	Very high	114 Å²	114	72.1 Å²	72.1	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-39.1	175	-72.5	178.1	-179.3	-76.3	0.1	112.1	E252 K253 C259 S260 I266	E252-R256 HydrophobicContact CG-CG 4.41Å; E252-R256 WeakPolarHBondContact O-CB 3.37Å; E252-R256 VanDerWaalsContact O-CG 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.44Å; E252-R256 PolarHBondContact O-N 3.05Å; E252-R256 IonicContact OE1-CZ 2.87Å; E252-R256 VanDerWaalsContact OE1-CZ 3.27Å; E252-R256 IonicContact OE1-NE 3.68Å; E252-R256 PolarHBondContact OE1-NE 3.37Å; E252-R256 IonicContact OE1-NH2 3.77Å; E252-R256 PolarHBondContact OE1-NH2 3.44Å; K253-R256 PolarHBondContact O-N 3.38Å; R256-C259 PolarHBondContact O-N 3.12Å; R256-S260 WeakPolarHBondContact O-CB 3.4Å; R256-S260 PolarHBondContact O-N 3.26Å; R256-I266 HydrophobicContact CB-CD1 4.23Å; R256-I266 HydrophobicContact CG-CD1 3.63Å
257	I	98.1	Very high	97.7	Very high	96 Å²	96	72.6 Å²	72.6	49%	0.492	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-48.2	173.2	-67.5	164.8	0	0	0	110.2	K253 N254 Y255 C259 S260 V261	K253-I257 HydrophobicContact CG-CD1 4.33Å; K253-I257 WeakPolarHBondContact O-CG1 3.32Å; K253-I257 PolarHBondContact O-N 2.69Å; K253-I257 VanDerWaalsContact O-N 3.08Å; N254-I257 PolarHBondContact O-N 2.91Å; Y255-I257 VanDerWaalsContact C-N 3.31Å; Y255-I257 PolarHBondContact O-N 2.84Å; I257-C259 PolarHBondContact O-N 3.42Å; I257-S260 WeakPolarHBondContact O-CB 3.44Å; I257-S260 PolarHBondContact O-N 3.02Å; I257-V261 HydrophobicContact CG2-CG2 4.4Å; I257-V261 WeakPolarHBondContact O-CG2 3.33Å; I257-V261 PolarHBondContact O-N 2.92Å
258	H	98.1	Very high	97.5	Very high	36 Å²	36	81.8 Å²	81.8	17%	0.167	41%	0.413	C	S	.	.	H	α-helix	trans	-56	-50	176.2	174.1	92.8	0	0	0	111.7	N254 Y255 S260 V261 H262 G309 H311	N254-H258 PolarHBondContact O-N 3.24Å; Y255-H258 WeakPolarHBondContact O-CB 3.33Å; Y255-H258 PolarHBondContact O-N 2.56Å; H258-S260 VanDerWaalsContact C-N 3.31Å; H258-S260 PolarHBondContact O-N 3.21Å; H258-V261 PolarHBondContact O-N 3.29Å; H258-H262 AromaticContact CD2-CD2 3.92Å; H258-H262 AromaticContact CE1-CD2 3.21Å; H258-H262 PolarHBondContact CE1-CD2 3.44Å; H258-H262 AromaticContact CE1-NE2 3.47Å; H258-H262 PolarHBondContact CE1-NE2 3.15Å; H258-H262 AromaticContact CG-CD2 3.84Å; H258-H262 AromaticContact ND1-CD2 3.42Å; H258-H262 PolarHBondContact ND1-CD2 2.93Å; H258-H262 AromaticContact ND1-NE2 3.67Å; H258-H262 AromaticContact NE2-CD2 3.54Å; H258-H262 PolarHBondContact O-CD2 3.44Å; H258-H262 PolarHBondContact O-N 2.76Å; H258-G309 WeakPolarHBondContact CB-O 3.49Å; H258-G309 WeakPolarHBondContact NE2-CA 3.14Å; H258-H311 AromaticContact ND1-CD2 3.94Å; H258-H311 AromaticContact ND1-NE2 3.47Å; H258-H311 PolarHBondContact ND1-NE2 3.45Å
259	C	98	Very high	97.4	Very high	2 Å²	2	86.4 Å²	86.4	1%	0.014	44%	0.439	C	S	.	.	H	α-helix	trans	-58.3	-41.5	176.8	-74	0	0	0	0	112.6	Y255 R256 I257 H262 N263 I264 I266	Y255-C259 PolarHBondContact O-N 3.39Å; Y255-C259 PolarHBondContact O-SG 3.1Å; R256-C259 PolarHBondContact O-N 3.12Å; I257-C259 PolarHBondContact O-N 3.42Å; C259-H262 CarbonylContact O-C 3.5Å; C259-H262 PolarHBondContact O-N 3.48Å; C259-N263 CarbonylContact O-C 3.59Å; C259-N263 WeakPolarHBondContact O-CA 3.22Å; C259-N263 PolarHBondContact O-N 3.17Å; C259-I264 HydrophobicContact CB-CB 4.05Å; C259-I264 WeakPolarHBondContact CB-O 3.3Å; C259-I264 PolarHBondContact O-N 3.42Å; C259-I266 HydrophobicContact CB-CD1 3.73Å; C259-I266 HydrophobicContact CB-CG1 3.83Å
260	S	97.8	Very high	97.3	Very high	97 Å²	97	81.9 Å²	81.9	68%	0.678	42%	0.418	S	S	*	.	H	α-helix	trans	-61.5	-46.1	175.2	-179	0	0	0	0	112.1	R256 I257 H258 H262 N263	R256-S260 WeakPolarHBondContact O-CB 3.4Å; R256-S260 PolarHBondContact O-N 3.26Å; I257-S260 WeakPolarHBondContact O-CB 3.44Å; I257-S260 PolarHBondContact O-N 3.02Å; H258-S260 VanDerWaalsContact C-N 3.31Å; H258-S260 PolarHBondContact O-N 3.21Å; S260-H262 VanDerWaalsContact C-N 3.3Å; S260-H262 PolarHBondContact O-N 3.48Å; S260-N263 PolarHBondContact O-N 3.36Å
261	V	97.9	Very high	97.3	Very high	106 Å²	106	81 Å²	81	64%	0.642	42%	0.417	S	S	*	.	H	α-helix	trans	-61.7	-38.3	178.1	170.6	0	0	0	0	111.9	I257 H258	I257-V261 HydrophobicContact CG2-CG2 4.4Å; I257-V261 WeakPolarHBondContact O-CG2 3.33Å; I257-V261 PolarHBondContact O-N 2.92Å; H258-V261 PolarHBondContact O-N 3.29Å
262	H	97.7	Very high	97.2	Very high	112 Å²	112	81.5 Å²	81.5	52%	0.519	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.2	-177.1	-67.4	-73.4	0	0	0	114.1	H258 C259 S260 I264	H258-H262 AromaticContact CD2-CD2 3.92Å; H258-H262 AromaticContact CE1-CD2 3.21Å; H258-H262 PolarHBondContact CE1-CD2 3.44Å; H258-H262 AromaticContact CE1-NE2 3.47Å; H258-H262 PolarHBondContact CE1-NE2 3.15Å; H258-H262 AromaticContact CG-CD2 3.84Å; H258-H262 AromaticContact ND1-CD2 3.42Å; H258-H262 PolarHBondContact ND1-CD2 2.93Å; H258-H262 AromaticContact ND1-NE2 3.67Å; H258-H262 AromaticContact NE2-CD2 3.54Å; H258-H262 PolarHBondContact O-CD2 3.44Å; H258-H262 PolarHBondContact O-N 2.76Å; C259-H262 CarbonylContact O-C 3.5Å; C259-H262 PolarHBondContact O-N 3.48Å; S260-H262 VanDerWaalsContact C-N 3.3Å; S260-H262 PolarHBondContact O-N 3.48Å; H262-I264 VanDerWaalsContact C-N 3.25Å; H262-I264 HydrophobicContact CB-CD1 3.89Å; H262-I264 HydrophobicContact CB-CG1 3.97Å; H262-I264 PolarHBondContact O-N 2.89Å
263	N	97.1	Very high	97.2	Very high	150 Å²	150	80.7 Å²	80.7	80%	0.802	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.5	-179.1	-150.1	20.7	0	0	0	113.8	C259 S260	C259-N263 CarbonylContact O-C 3.59Å; C259-N263 WeakPolarHBondContact O-CA 3.22Å; C259-N263 PolarHBondContact O-N 3.17Å; S260-N263 PolarHBondContact O-N 3.36Å
264	I	97.5	Very high	97.2	Very high	79 Å²	79	80.3 Å²	80.3	41%	0.405	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-91.8	122.5	177	-57.9	171.5	0	0	0	108.4	C259 H262	C259-I264 HydrophobicContact CB-CB 4.05Å; C259-I264 WeakPolarHBondContact CB-O 3.3Å; C259-I264 PolarHBondContact O-N 3.42Å; H262-I264 VanDerWaalsContact C-N 3.25Å; H262-I264 HydrophobicContact CB-CD1 3.89Å; H262-I264 HydrophobicContact CB-CG1 3.97Å; H262-I264 PolarHBondContact O-N 2.89Å
265	I	96.6	Very high	97.2	Very high	154 Å²	154	81.1 Å²	81.1	79%	0.79	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-75.4	129.4	175.5	-62.5	169.3	0	0	0	109
266	I	96.5	Very high	97.2	Very high	36 Å²	36	80 Å²	80	19%	0.185	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-93.7	125	175.1	-60.3	175.6	0	0	0	108.1	Y255 R256 C259 F270	Y255-I266 HydrophobicContact CD1-CD1 4.33Å; Y255-I266 HydrophobicContact CE1-CD1 4.27Å; Y255-I266 HydrophobicContact CE1-CG1 4.4Å; R256-I266 HydrophobicContact CB-CD1 4.23Å; R256-I266 HydrophobicContact CG-CD1 3.63Å; C259-I266 HydrophobicContact CB-CD1 3.73Å; C259-I266 HydrophobicContact CB-CG1 3.83Å; I266-F270 HydrophobicContact CG2-CB 3.42Å; I266-F270 VanDerWaalsContact CG2-CB 3.42Å; I266-F270 HydrophobicContact CG2-CD1 3.83Å; I266-F270 HydrophobicContact CG2-CD2 4.15Å; I266-F270 HydrophobicContact CG2-CG 3.51Å
267	P	95.1	Very high	97.2	Very high	76 Å²	76	77.7 Å²	77.7	49%	0.494	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-56.9	150.1	174.7	-25.3	35.1	0	0	0	112.9	D269 F270	P267-D269 WeakPolarHBondContact CB-OD1 3.43Å; P267-D269 PolarHBondContact O-N 3.19Å; P267-F270 WeakPolarHBondContact O-CB 3.4Å; P267-F270 PolarHBondContact O-N 3.33Å; P267-F270 VanDerWaalsContact O-N 3.17Å
268	E	93.1	Very high	97.2	Very high	210 Å²	210	79.5 Å²	79.5	98%	0.981	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.4	178.6	-72	-168.4	165.9	0	0	112.9	F270	E268-F270 VanDerWaalsContact C-N 3.29Å; E268-F270 PolarHBondContact O-N 2.89Å
269	D	95.1	Very high	97.2	Very high	141 Å²	141	78 Å²	78	75%	0.754	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	13.5	178.6	64.1	-23.4	0	0	0	113.4	P267 S271	P267-D269 WeakPolarHBondContact CB-OD1 3.43Å; P267-D269 PolarHBondContact O-N 3.19Å; D269-S271 PolarHBondContact O-N 2.78Å
270	F	96.8	Very high	97.2	Very high	40 Å²	40	77.9 Å²	77.9	18%	0.175	42%	0.417	C	S	.	.			trans	-59.9	128.2	-178.8	172.5	-102.3	0	0	0	113	E252 Y255 I266 P267 E268 I272 K275	E252-F270 HydrophobicContact CG-CE1 4.29Å; Y255-F270 AromaticContact CD1-CE1 3.91Å; Y255-F270 HydrophobicContact CD1-CE1 3.91Å; Y255-F270 HydrophobicContact CD1-CE2 4.05Å; Y255-F270 AromaticContact CD1-CZ 3.42Å; Y255-F270 HydrophobicContact CD1-CZ 3.42Å; Y255-F270 VanDerWaalsContact CD1-CZ 3.42Å; Y255-F270 HydrophobicContact CE1-CD2 4.32Å; Y255-F270 HydrophobicContact CE1-CE1 4.14Å; Y255-F270 AromaticContact CE1-CE2 3.54Å; Y255-F270 HydrophobicContact CE1-CE2 3.54Å; Y255-F270 AromaticContact CE1-CZ 3.43Å; Y255-F270 HydrophobicContact CE1-CZ 3.43Å; Y255-F270 VanDerWaalsContact CE1-CZ 3.43Å; Y255-F270 HydrophobicContact CG-CZ 4.47Å; I266-F270 HydrophobicContact CG2-CB 3.42Å; I266-F270 VanDerWaalsContact CG2-CB 3.42Å; I266-F270 HydrophobicContact CG2-CD1 3.83Å; I266-F270 HydrophobicContact CG2-CD2 4.15Å; I266-F270 HydrophobicContact CG2-CG 3.51Å; P267-F270 WeakPolarHBondContact O-CB 3.4Å; P267-F270 PolarHBondContact O-N 3.33Å; P267-F270 VanDerWaalsContact O-N 3.17Å; E268-F270 VanDerWaalsContact C-N 3.29Å; E268-F270 PolarHBondContact O-N 2.89Å; F270-I272 HydrophobicContact CE1-CB 3.96Å; F270-I272 HydrophobicContact CE1-CD1 4.34Å; F270-I272 HydrophobicContact CZ-CB 4.15Å; F270-I272 HydrophobicContact CZ-CD1 3.92Å; F270-K275 HydrophobicContact CE2-CB 4.23Å; F270-K275 HydrophobicContact CE2-CD 3.91Å; F270-K275 HydrophobicContact CZ-CD 4.26Å
271	S	97.6	Very high	97.2	Very high	42 Å²	42	77.5 Å²	77.5	29%	0.294	41%	0.411	S	S	.	.			trans	-118	111	175.2	170.3	0	0	0	0	110.8	D269 A273 D274 K275	D269-S271 PolarHBondContact O-N 2.78Å; S271-A273 PolarHBondContact O-N 3.23Å; S271-D274 WeakPolarHBondContact CB-OD2 3.49Å; S271-D274 PolarHBondContact O-N 2.96Å; S271-D274 VanDerWaalsContact OG-CG 3.25Å; S271-D274 PolarHBondContact OG-N 3.02Å; S271-D274 PolarHBondContact OG-OD2 2.68Å; S271-K275 PolarHBondContact O-N 3.28Å; S271-K275 VanDerWaalsContact O-N 3.16Å
272	I	97.9	Very high	97.2	Very high	10 Å²	10	76.8 Å²	76.8	5%	0.051	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-32.3	174.7	-171.4	61.6	0	0	0	111.6	Q248 L251 E252 F270 I276 I310	Q248-I272 HydrophobicContact CB-CG2 4.05Å; L251-I272 HydrophobicContact CB-CD1 4.49Å; E252-I272 HydrophobicContact CB-CB 3.93Å; E252-I272 HydrophobicContact CB-CD1 4.38Å; E252-I272 HydrophobicContact CB-CG1 3.87Å; E252-I272 HydrophobicContact CB-CG2 4.05Å; E252-I272 HydrophobicContact CG-CB 4.26Å; F270-I272 HydrophobicContact CE1-CB 3.96Å; F270-I272 HydrophobicContact CE1-CD1 4.34Å; F270-I272 HydrophobicContact CZ-CB 4.15Å; F270-I272 HydrophobicContact CZ-CD1 3.92Å; I272-I276 HydrophobicContact CD1-CD1 4.32Å; I272-I276 HydrophobicContact CD1-CG1 4.31Å; I272-I276 HydrophobicContact CG1-CD1 3.78Å; I272-I276 HydrophobicContact CG1-CG1 4.25Å; I272-I276 WeakPolarHBondContact O-CB 3.48Å; I272-I276 WeakPolarHBondContact O-CD1 3.29Å; I272-I276 WeakPolarHBondContact O-CG1 3.41Å; I272-I276 PolarHBondContact O-N 3.46Å; I272-I310 HydrophobicContact CD1-CD1 4Å
273	A	97.8	Very high	97.1	Very high	35 Å²	35	72.3 Å²	72.3	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-43.5	179.6	0	0	0	0	0	111.3	S271 Q277	S271-A273 PolarHBondContact O-N 3.23Å; A273-Q277 WeakPolarHBondContact O-CB 3.39Å; A273-Q277 PolarHBondContact O-N 3.09Å
274	D	97.9	Very high	97.1	Very high	110 Å²	110	67.7 Å²	67.7	59%	0.588	38%	0.378	S	S	*	.	H	α-helix	trans	-71	-42.3	-179.7	-62.3	-38.4	0	0	0	111.2	S271 I276 Q277 Q278	S271-D274 WeakPolarHBondContact CB-OD2 3.49Å; S271-D274 PolarHBondContact O-N 2.96Å; S271-D274 VanDerWaalsContact OG-CG 3.25Å; S271-D274 PolarHBondContact OG-N 3.02Å; S271-D274 PolarHBondContact OG-OD2 2.68Å; D274-I276 PolarHBondContact O-N 3.21Å; D274-Q277 PolarHBondContact O-N 3.42Å; D274-Q278 WeakPolarHBondContact O-CB 3.3Å; D274-Q278 PolarHBondContact O-N 2.97Å
275	K	98.3	Very high	97.2	Very high	29 Å²	29	64 Å²	64	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-45.6	174.5	-172.4	172.8	173	75.6	0	111.7	Y255 F270 S271 Q277 Q278 I279 E308 I310	Y255-K275 HydrophobicContact CE1-CD 4.29Å; Y255-K275 HydrophobicContact CE2-CD 4.12Å; Y255-K275 VanDerWaalsContact CE2-CE 3.42Å; F270-K275 HydrophobicContact CE2-CB 4.23Å; F270-K275 HydrophobicContact CE2-CD 3.91Å; F270-K275 HydrophobicContact CZ-CD 4.26Å; S271-K275 PolarHBondContact O-N 3.28Å; S271-K275 VanDerWaalsContact O-N 3.16Å; K275-Q277 PolarHBondContact O-N 2.95Å; K275-Q278 PolarHBondContact O-N 3.27Å; K275-I279 HydrophobicContact CG-CD1 4.24Å; K275-I279 VanDerWaalsContact O-CG1 3.29Å; K275-I279 WeakPolarHBondContact O-CG1 3.43Å; K275-I279 PolarHBondContact O-N 3.18Å; K275-E308 WeakPolarHBondContact CE-O 3.35Å; K275-E308 PolarHBondContact NZ-O 3.28Å; K275-E308 IonicContact NZ-OE2 2.65Å; K275-E308 PolarHBondContact NZ-OE2 3.46Å; K275-I310 HydrophobicContact CD-CD1 4.23Å; K275-I310 HydrophobicContact CG-CD1 4.28Å
276	I	98.3	Very high	97.2	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.7	-67.9	164.1	0	0	0	110.9	F242 Q248 L251 I272 D274 Q278 I279 L280 F305 I310	F242-I276 HydrophobicContact CB-CG2 3.75Å; F242-I276 HydrophobicContact CD1-CG2 4.25Å; F242-I276 HydrophobicContact CG-CG2 3.98Å; Q248-I276 HydrophobicContact CG-CD1 4.45Å; L251-I276 HydrophobicContact CB-CD1 4.4Å; L251-I276 HydrophobicContact CD1-CD1 3.75Å; L251-I276 HydrophobicContact CD1-CG1 4.28Å; I272-I276 HydrophobicContact CD1-CD1 4.32Å; I272-I276 HydrophobicContact CD1-CG1 4.31Å; I272-I276 HydrophobicContact CG1-CD1 3.78Å; I272-I276 HydrophobicContact CG1-CG1 4.25Å; I272-I276 WeakPolarHBondContact O-CB 3.48Å; I272-I276 WeakPolarHBondContact O-CD1 3.29Å; I272-I276 WeakPolarHBondContact O-CG1 3.41Å; I272-I276 PolarHBondContact O-N 3.46Å; D274-I276 PolarHBondContact O-N 3.21Å; I276-Q278 VanDerWaalsContact C-N 3.3Å; I276-Q278 PolarHBondContact O-N 3.3Å; I276-I279 PolarHBondContact O-N 3.36Å; I276-L280 HydrophobicContact CG2-CD1 4.05Å; I276-L280 HydrophobicContact CG2-CG 4.28Å; I276-L280 WeakPolarHBondContact O-CG 3.5Å; I276-L280 PolarHBondContact O-N 3.25Å; I276-F305 HydrophobicContact CG1-CE1 4.29Å; I276-F305 HydrophobicContact CG2-CE1 4.09Å; I276-F305 HydrophobicContact CG2-CZ 4.15Å; I276-I310 HydrophobicContact CG1-CD1 4.27Å
277	Q	98.1	Very high	97.3	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-36.7	-179.2	-174	56.4	47.7	0	0	111.8	A273 D274 K275 L280 T281 S286	A273-Q277 WeakPolarHBondContact O-CB 3.39Å; A273-Q277 PolarHBondContact O-N 3.09Å; D274-Q277 PolarHBondContact O-N 3.42Å; K275-Q277 PolarHBondContact O-N 2.95Å; Q277-L280 PolarHBondContact O-N 2.86Å; Q277-T281 PolarHBondContact NE2-OG1 3.24Å; Q277-T281 WeakPolarHBondContact O-CB 3Å; Q277-T281 PolarHBondContact O-N 3.45Å; Q277-T281 PolarHBondContact O-OG1 3.4Å; Q277-S286 PolarHBondContact NE2-OG 3.4Å
278	Q	98.1	Very high	97.4	Very high	134 Å²	134	61.1 Å²	61.1	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-61.5	-46.8	173.3	-174.4	-179.1	13.8	0	0	111.1	D274 K275 I276 L280 T281 S282	D274-Q278 WeakPolarHBondContact O-CB 3.3Å; D274-Q278 PolarHBondContact O-N 2.97Å; K275-Q278 PolarHBondContact O-N 3.27Å; I276-Q278 VanDerWaalsContact C-N 3.3Å; I276-Q278 PolarHBondContact O-N 3.3Å; Q278-L280 PolarHBondContact O-N 3.47Å; Q278-T281 PolarHBondContact O-N 3.28Å; Q278-S282 WeakPolarHBondContact O-CB 3.37Å; Q278-S282 PolarHBondContact O-N 3.41Å; Q278-S282 PolarHBondContact O-OG 3.5Å
279	I	98.4	Very high	97.7	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-47.4	176.7	-66.2	166.2	0	0	0	111.1	K275 I276 T281 S282 T283 F305 E308 I310	K275-I279 HydrophobicContact CG-CD1 4.24Å; K275-I279 VanDerWaalsContact O-CG1 3.29Å; K275-I279 WeakPolarHBondContact O-CG1 3.43Å; K275-I279 PolarHBondContact O-N 3.18Å; I276-I279 PolarHBondContact O-N 3.36Å; I279-T281 PolarHBondContact O-N 2.93Å; I279-S282 PolarHBondContact O-N 2.98Å; I279-S282 PolarHBondContact O-OG 3.23Å; I279-T283 HydrophobicContact CG2-CG2 4.48Å; I279-T283 WeakPolarHBondContact O-CB 3.37Å; I279-T283 WeakPolarHBondContact O-CG2 3.45Å; I279-T283 PolarHBondContact O-N 2.84Å; I279-T283 PolarHBondContact O-OG1 3.4Å; I279-F305 HydrophobicContact CB-CE1 4.32Å; I279-F305 HydrophobicContact CD1-CD1 3.78Å; I279-F305 HydrophobicContact CD1-CE1 4.06Å; I279-F305 HydrophobicContact CG2-CD1 3.97Å; I279-F305 HydrophobicContact CG2-CD2 4.42Å; I279-F305 HydrophobicContact CG2-CE1 4.01Å; I279-F305 HydrophobicContact CG2-CE2 4.47Å; I279-F305 HydrophobicContact CG2-CG 4.18Å; I279-F305 HydrophobicContact CG2-CZ 4.27Å; I279-E308 HydrophobicContact CD1-CB 3.68Å; I279-E308 HydrophobicContact CD1-CG 4.05Å; I279-E308 HydrophobicContact CG1-CB 4.16Å; I279-E308 HydrophobicContact CG1-CG 3.94Å; I279-I310 HydrophobicContact CD1-CD1 3.63Å; I279-I310 HydrophobicContact CD1-CG1 4.39Å
280	L	98.2	Very high	97.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-32.5	178.6	-67.3	178.4	0	0	0	112.4	L238 F242 I276 Q277 Q278 T283 G284 F285 S286 L301 F305	L238-L280 HydrophobicContact CB-CD2 4.34Å; F242-L280 HydrophobicContact CB-CD1 4.49Å; F242-L280 HydrophobicContact CD2-CD1 3.9Å; F242-L280 HydrophobicContact CD2-CD2 4.14Å; F242-L280 HydrophobicContact CE2-CD2 4.08Å; F242-L280 HydrophobicContact CG-CD1 4.49Å; I276-L280 HydrophobicContact CG2-CD1 4.05Å; I276-L280 HydrophobicContact CG2-CG 4.28Å; I276-L280 WeakPolarHBondContact O-CG 3.5Å; I276-L280 PolarHBondContact O-N 3.25Å; Q277-L280 PolarHBondContact O-N 2.86Å; Q278-L280 PolarHBondContact O-N 3.47Å; L280-T283 PolarHBondContact O-OG1 3.11Å; L280-G284 PolarHBondContact O-N 3.06Å; L280-G284 VanDerWaalsContact O-N 3.16Å; L280-F285 HydrophobicContact CD2-CB 4.22Å; L280-F285 PolarHBondContact O-N 3.45Å; L280-S286 WeakPolarHBondContact CB-OG 3.43Å; L280-S286 PolarHBondContact O-N 3.07Å; L280-S286 PolarHBondContact O-OG 3.35Å; L280-L301 HydrophobicContact CD2-CD1 3.86Å; L280-F305 HydrophobicContact CD2-CE2 4.27Å; L280-F305 HydrophobicContact CD2-CZ 4.06Å; L280-F305 HydrophobicContact CG-CZ 4.48Å
281	T	98	Very high	97.9	Very high	89 Å²	89	53.1 Å²	53.1	55%	0.546	29%	0.288	S	S	.	.	H	α-helix	trans	-76.9	-47.3	179.5	-55.1	0	0	0	0	111.1	Q277 Q278 I279 T283 G284 S286	Q277-T281 PolarHBondContact NE2-OG1 3.24Å; Q277-T281 WeakPolarHBondContact O-CB 3Å; Q277-T281 PolarHBondContact O-N 3.45Å; Q277-T281 PolarHBondContact O-OG1 3.4Å; Q278-T281 PolarHBondContact O-N 3.28Å; I279-T281 PolarHBondContact O-N 2.93Å; T281-T283 PolarHBondContact O-N 3.45Å; T281-G284 PolarHBondContact O-N 3.15Å; T281-G284 VanDerWaalsContact O-N 3.13Å; T281-S286 PolarHBondContact N-OG 3.19Å; T281-S286 PolarHBondContact OG1-OG 2.98Å
282	S	96.8	Very high	98	Very high	91 Å²	91	54.1 Å²	54.1	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-32.8	178.4	64.9	0	0	0	0	112.4	Q278 I279	Q278-S282 WeakPolarHBondContact O-CB 3.37Å; Q278-S282 PolarHBondContact O-N 3.41Å; Q278-S282 PolarHBondContact O-OG 3.5Å; I279-S282 PolarHBondContact O-N 2.98Å; I279-S282 PolarHBondContact O-OG 3.23Å
283	T	96.3	Very high	98	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.11	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.1	178.5	59.2	0	0	0	0	114	I279 L280 T281 F285	I279-T283 HydrophobicContact CG2-CG2 4.48Å; I279-T283 WeakPolarHBondContact O-CB 3.37Å; I279-T283 WeakPolarHBondContact O-CG2 3.45Å; I279-T283 PolarHBondContact O-N 2.84Å; I279-T283 PolarHBondContact O-OG1 3.4Å; L280-T283 PolarHBondContact O-OG1 3.11Å; T281-T283 PolarHBondContact O-N 3.45Å; T283-F285 VanDerWaalsContact O-CD2 3.3Å; T283-F285 WeakPolarHBondContact O-CD2 3.18Å; T283-F285 WeakPolarHBondContact OG1-CD2 3.29Å
284	G	97.8	Very high	98.1	Very high	52 Å²	52	55.3 Å²	55.3	54%	0.536	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	24.6	179.9	0	0	0	0	0	114.6	L280 T281	L280-G284 PolarHBondContact O-N 3.06Å; L280-G284 VanDerWaalsContact O-N 3.16Å; T281-G284 PolarHBondContact O-N 3.15Å; T281-G284 VanDerWaalsContact O-N 3.13Å
285	F	98.3	Very high	98.1	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	28%	0.277	C	S	.	.			trans	-103.6	-7.8	-174.7	-81.3	-73.4	0	0	0	114.7	L238 L280 T283 D287 K288 M293 D297 R300 L301	L238-F285 WeakPolarHBondContact CB-O 3.49Å; L238-F285 HydrophobicContact CD1-CB 3.76Å; L238-F285 HydrophobicContact CD1-CD1 3.98Å; L238-F285 HydrophobicContact CD1-CG 4.22Å; L238-F285 WeakPolarHBondContact CD1-O 3.31Å; L280-F285 HydrophobicContact CD2-CB 4.22Å; L280-F285 PolarHBondContact O-N 3.45Å; T283-F285 VanDerWaalsContact O-CD2 3.3Å; T283-F285 WeakPolarHBondContact O-CD2 3.18Å; T283-F285 WeakPolarHBondContact OG1-CD2 3.29Å; F285-D287 VanDerWaalsContact C-N 3.32Å; F285-D287 PolarHBondContact O-N 2.86Å; F285-D287 VanDerWaalsContact O-N 3.17Å; F285-K288 HydrophobicContact CD1-CB 4.05Å; F285-K288 HydrophobicContact CD1-CD 3.3Å; F285-K288 HydrophobicContact CD1-CG 4.21Å; F285-K288 HydrophobicContact CE1-CD 3.42Å; F285-K288 VanDerWaalsContact CE1-CD 3.42Å; F285-K288 HydrophobicContact CG-CD 4.26Å; F285-K288 HydrophobicContact CZ-CD 4.47Å; F285-K288 PolarHBondContact O-N 3Å; F285-K288 VanDerWaalsContact O-N 3.13Å; F285-M293 HydrophobicContact CD1-CE 3.76Å; F285-M293 HydrophobicContact CD1-SD 4.25Å; F285-M293 HydrophobicContact CE1-CE 3.73Å; F285-M293 HydrophobicContact CE1-SD 4.49Å; F285-D297 HydrophobicContact CE1-CB 3.81Å; F285-D297 HydrophobicContact CZ-CB 4.07Å; F285-D297 VanDerWaalsContact CZ-O 3.23Å; F285-D297 WeakPolarHBondContact CZ-O 3.48Å; F285-D297 WeakPolarHBondContact CZ-OD1 3.32Å; F285-R300 HydrophobicContact CE2-CB 4.24Å; F285-R300 HydrophobicContact CE2-CG 4.04Å; F285-R300 HydrophobicContact CZ-CB 4.36Å; F285-L301 HydrophobicContact CB-CD1 3.96Å; F285-L301 HydrophobicContact CD2-CB 4.2Å; F285-L301 HydrophobicContact CD2-CD1 3.94Å; F285-L301 HydrophobicContact CE2-CB 4.21Å; F285-L301 HydrophobicContact CG-CB 4.48Å; F285-L301 HydrophobicContact CG-CD1 3.99Å; F285-L301 HydrophobicContact CZ-CB 4.49Å
286	S	97.4	Very high	98.1	Very high	13 Å²	13	55.7 Å²	55.7	9%	0.091	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-51.1	-177.7	-66.8	0	0	0	0	114.2	T237 S239 Q277 L280 T281	T237-S286 WeakPolarHBondContact CB-O 3.45Å; S239-S286 WeakPolarHBondContact CB-O 3.46Å; S239-S286 PolarHBondContact N-O 2.7Å; S239-S286 PolarHBondContact OG-O 3.45Å; S239-S286 VanDerWaalsContact OG-O 3.12Å; Q277-S286 PolarHBondContact NE2-OG 3.4Å; L280-S286 WeakPolarHBondContact CB-OG 3.43Å; L280-S286 PolarHBondContact O-N 3.07Å; L280-S286 PolarHBondContact O-OG 3.35Å; T281-S286 PolarHBondContact N-OG 3.19Å; T281-S286 PolarHBondContact OG1-OG 2.98Å
287	D	97.9	Very high	98.1	Very high	118 Å²	118	56.8 Å²	56.8	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.7	-174.8	-60.6	-52.3	0	0	0	114.2	F285 R289	F285-D287 VanDerWaalsContact C-N 3.32Å; F285-D287 PolarHBondContact O-N 2.86Å; F285-D287 VanDerWaalsContact O-N 3.17Å; D287-R289 PolarHBondContact O-NH1 3.35Å
288	K	98.4	Very high	98.1	Very high	76 Å²	76	53.7 Å²	53.7	33%	0.33	29%	0.292	S	S	.	.			trans	-67.4	158.3	172.5	-80.6	-173.3	165.2	-162.2	0	110.3	T237 L238 F285 M293 D297	T237-K288 CarbonylContact C-O 3.24Å; T237-K288 VanDerWaalsContact CA-O 3.27Å; T237-K288 WeakPolarHBondContact CA-O 3.32Å; L238-K288 HydrophobicContact CD1-CB 4.45Å; L238-K288 PolarHBondContact N-O 3Å; F285-K288 HydrophobicContact CD1-CB 4.05Å; F285-K288 HydrophobicContact CD1-CD 3.3Å; F285-K288 HydrophobicContact CD1-CG 4.21Å; F285-K288 HydrophobicContact CE1-CD 3.42Å; F285-K288 VanDerWaalsContact CE1-CD 3.42Å; F285-K288 HydrophobicContact CG-CD 4.26Å; F285-K288 HydrophobicContact CZ-CD 4.47Å; F285-K288 PolarHBondContact O-N 3Å; F285-K288 VanDerWaalsContact O-N 3.13Å; K288-M293 HydrophobicContact CB-CG 4.42Å; K288-M293 HydrophobicContact CB-SD 4.16Å; K288-D297 IonicContact NZ-OD1 2.73Å; K288-D297 PolarHBondContact NZ-OD1 3.11Å; K288-D297 IonicContact NZ-OD2 3.87Å; K288-D297 PolarHBondContact NZ-OD2 2.78Å
289	R	98.6	Very high	98.1	Very high	107 Å²	107	50.1 Å²	50.1	40%	0.404	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-128.5	133.7	-176.9	-61.6	175.6	175.4	75.7	-2.7	108.9	N235 D287 R291 S292 M293	N235-R289 VanDerWaalsContact O-CD 3.26Å; N235-R289 WeakPolarHBondContact O-CD 3.44Å; N235-R289 PolarHBondContact O-NE 3.36Å; D287-R289 PolarHBondContact O-NH1 3.35Å; R289-R291 HydrophobicContact CB-CG 4.21Å; R289-R291 PolarHBondContact O-N 2.89Å; R289-S292 PolarHBondContact O-N 3.29Å; R289-S292 PolarHBondContact O-OG 2.91Å; R289-M293 PolarHBondContact O-N 3.02Å
290	A	98.6	Very high	98.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-53.9	-32.1	-178.4	0	0	0	0	0	113.3	Y172 T230 F231 K234 S292 M293 F298	Y172-A290 WeakPolarHBondContact CE1-O 3.29Å; T230-A290 WeakPolarHBondContact O-CB 3.28Å; F231-A290 HydrophobicContact CD1-CB 4.4Å; F231-A290 HydrophobicContact CD2-CB 4.07Å; F231-A290 HydrophobicContact CE1-CB 4.38Å; F231-A290 HydrophobicContact CE2-CB 4.08Å; F231-A290 HydrophobicContact CG-CB 4.28Å; F231-A290 HydrophobicContact CZ-CB 4.24Å; K234-A290 HydrophobicContact CB-CB 4.39Å; A290-S292 PolarHBondContact O-N 3.24Å; A290-M293 PolarHBondContact O-N 3.1Å; A290-F298 HydrophobicContact CB-CZ 4.08Å
291	R	98.4	Very high	98.1	Very high	115 Å²	115	57 Å²	57	43%	0.434	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-57.7	-23.2	179.6	75.8	176.2	-140.6	-179.7	4	114.5	G168 Y172 K234 N235 R289	G168-R291 WeakPolarHBondContact CA-O 2.96Å; G168-R291 PolarHBondContact N-O 3.28Å; Y172-R291 WeakPolarHBondContact CD1-O 3.48Å; K234-R291 HydrophobicContact CB-CB 4.23Å; K234-R291 HydrophobicContact CD-CB 4.39Å; K234-R291 HydrophobicContact CG-CB 4.17Å; K234-R291 VanDerWaalsContact O-CB 3.3Å; K234-R291 WeakPolarHBondContact O-CB 3.33Å; K234-R291 PolarHBondContact O-N 3.22Å; N235-R291 WeakPolarHBondContact OD1-CD 3.29Å; N235-R291 PolarHBondContact OD1-NH1 3.23Å; R289-R291 HydrophobicContact CB-CG 4.21Å; R289-R291 PolarHBondContact O-N 2.89Å
292	S	98.3	Very high	98.2	Very high	63 Å²	63	53.2 Å²	53.2	44%	0.441	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-123.4	5.3	-173.8	57.2	0	0	0	0	113.1	R289 A290	R289-S292 PolarHBondContact O-N 3.29Å; R289-S292 PolarHBondContact O-OG 2.91Å; A290-S292 PolarHBondContact O-N 3.24Å
293	M	98.7	Very high	98.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.276	C	S	.	.			trans	-86.9	133.5	174.9	-72.4	166.1	61.9	0	0	109.9	Y172 L238 F285 K288 R289 A290 D297 F298 L301	Y172-M293 WeakPolarHBondContact CE1-O 3.12Å; Y172-M293 PolarHBondContact OH-O 3.21Å; L238-M293 HydrophobicContact CD1-CE 3.85Å; L238-M293 HydrophobicContact CD1-SD 3.61Å; L238-M293 HydrophobicContact CD2-SD 4.18Å; L238-M293 HydrophobicContact CG-SD 4.13Å; F285-M293 HydrophobicContact CD1-CE 3.76Å; F285-M293 HydrophobicContact CD1-SD 4.25Å; F285-M293 HydrophobicContact CE1-CE 3.73Å; F285-M293 HydrophobicContact CE1-SD 4.49Å; K288-M293 HydrophobicContact CB-CG 4.42Å; K288-M293 HydrophobicContact CB-SD 4.16Å; R289-M293 PolarHBondContact O-N 3.02Å; A290-M293 PolarHBondContact O-N 3.1Å; M293-D297 HydrophobicContact CB-CB 3.85Å; M293-D297 HydrophobicContact CE-CB 4.08Å; M293-D297 HydrophobicContact CG-CB 4.1Å; M293-F298 HydrophobicContact CB-CD2 3.84Å; M293-F298 HydrophobicContact CB-CE2 3.56Å; M293-F298 HydrophobicContact CE-CD1 4.36Å; M293-F298 HydrophobicContact CE-CD2 3.92Å; M293-F298 HydrophobicContact CE-CE1 4.3Å; M293-F298 HydrophobicContact CE-CE2 3.91Å; M293-F298 HydrophobicContact CE-CG 4.18Å; M293-F298 HydrophobicContact CE-CZ 4.08Å; M293-F298 HydrophobicContact SD-CE2 4.37Å; M293-L301 HydrophobicContact CE-CD2 3.98Å
294	D	98.5	Very high	98.3	Very high	69 Å²	69	54.8 Å²	54.8	37%	0.369	28%	0.277	S	S	.	.			trans	-87.8	-173.9	174.1	63.8	22.9	0	0	0	111.9	P167 D296 D297 F298	P167-D294 HydrophobicContact CG-CB 3.82Å; D294-D296 PolarHBondContact OD1-N 2.94Å; D294-D296 VanDerWaalsContact OD1-N 3.12Å; D294-D297 WeakPolarHBondContact OD1-CB 3.31Å; D294-D297 PolarHBondContact OD1-N 2.78Å; D294-F298 WeakPolarHBondContact O-CD2 3.22Å; D294-F298 PolarHBondContact O-N 2.69Å
295	I	98.3	Very high	98.4	Very high	32 Å²	32	52.3 Å²	52.3	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-43.8	-178.4	-65.9	163.9	0	0	0	110.8	I177 Q180 L181 W223 D297 F298 I299	I177-I295 HydrophobicContact CG1-CG1 4.13Å; Q180-I295 HydrophobicContact CB-CD1 3.98Å; Q180-I295 WeakPolarHBondContact O-CD1 3.4Å; L181-I295 HydrophobicContact CD1-CG2 3.85Å; W223-I295 HydrophobicContact CH2-CG2 4.15Å; I295-D297 PolarHBondContact O-N 3.43Å; I295-F298 PolarHBondContact O-N 2.83Å; I295-F298 VanDerWaalsContact O-N 3.13Å; I295-I299 HydrophobicContact CG2-CD1 3.75Å; I295-I299 HydrophobicContact CG2-CG1 4.19Å; I295-I299 WeakPolarHBondContact O-CG1 3.44Å; I295-I299 PolarHBondContact O-N 2.83Å
296	D	98.1	Very high	98.4	Very high	115 Å²	115	54.6 Å²	54.6	62%	0.615	26%	0.264	S	S	*	.	H	α-helix	trans	-69	-36.4	-174.7	-63.9	-27.7	0	0	0	111.5	D294 F298 I299 R300	D294-D296 PolarHBondContact OD1-N 2.94Å; D294-D296 VanDerWaalsContact OD1-N 3.12Å; D296-F298 VanDerWaalsContact C-N 3.31Å; D296-F298 PolarHBondContact O-N 3.48Å; D296-I299 PolarHBondContact O-N 3.46Å; D296-R300 WeakPolarHBondContact O-CB 3.21Å; D296-R300 PolarHBondContact O-N 3.47Å
297	D	98.6	Very high	98.4	Very high	29 Å²	29	57.2 Å²	57.2	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-56.1	-45.7	170	-93.3	-17	0	0	0	111.6	F285 K288 M293 D294 I295 L301	F285-D297 HydrophobicContact CE1-CB 3.81Å; F285-D297 HydrophobicContact CZ-CB 4.07Å; F285-D297 VanDerWaalsContact CZ-O 3.23Å; F285-D297 WeakPolarHBondContact CZ-O 3.48Å; F285-D297 WeakPolarHBondContact CZ-OD1 3.32Å; K288-D297 IonicContact NZ-OD1 2.73Å; K288-D297 PolarHBondContact NZ-OD1 3.11Å; K288-D297 IonicContact NZ-OD2 3.87Å; K288-D297 PolarHBondContact NZ-OD2 2.78Å; M293-D297 HydrophobicContact CB-CB 3.85Å; M293-D297 HydrophobicContact CE-CB 4.08Å; M293-D297 HydrophobicContact CG-CB 4.1Å; D294-D297 WeakPolarHBondContact OD1-CB 3.31Å; D294-D297 PolarHBondContact OD1-N 2.78Å; I295-D297 PolarHBondContact O-N 3.43Å; D297-L301 WeakPolarHBondContact O-CB 3.47Å; D297-L301 PolarHBondContact O-N 3.35Å
298	F	98.6	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-71	-36.3	178.3	-89.3	-84	0	0	0	113.1	I177 W223 L226 V227 T230 F231 A290 M293 D294 I295 D296 L301 L302	I177-F298 HydrophobicContact CD1-CB 4.18Å; I177-F298 HydrophobicContact CD1-CD2 3.08Å; I177-F298 HydrophobicContact CD1-CE2 3.46Å; I177-F298 VanDerWaalsContact CD1-CE2 3.46Å; I177-F298 HydrophobicContact CD1-CG 3.71Å; I177-F298 HydrophobicContact CD1-CZ 4.37Å; W223-F298 HydrophobicContact CH2-CB 3.34Å; W223-F298 HydrophobicContact CH2-CG 4.23Å; W223-F298 HydrophobicContact CZ2-CB 4.21Å; W223-F298 HydrophobicContact CZ3-CB 3.53Å; L226-F298 HydrophobicContact CD2-CD1 3.99Å; L226-F298 HydrophobicContact CG-CD1 4.15Å; L226-F298 HydrophobicContact CG-CE1 4.38Å; V227-F298 HydrophobicContact CG2-CD1 3.88Å; V227-F298 HydrophobicContact CG2-CE1 3.96Å; T230-F298 HydrophobicContact CG2-CE1 4.1Å; T230-F298 WeakPolarHBondContact OG1-CE1 3.37Å; T230-F298 VanDerWaalsContact OG1-CZ 3.32Å; T230-F298 WeakPolarHBondContact OG1-CZ 3.47Å; F231-F298 HydrophobicContact CD2-CZ 4.04Å; F231-F298 HydrophobicContact CE2-CE1 4.31Å; F231-F298 AromaticContact CE2-CE2 3.76Å; F231-F298 HydrophobicContact CE2-CE2 3.76Å; F231-F298 AromaticContact CE2-CZ 3.42Å; F231-F298 HydrophobicContact CE2-CZ 3.42Å; F231-F298 VanDerWaalsContact CE2-CZ 3.42Å; F231-F298 HydrophobicContact CZ-CE2 4.28Å; F231-F298 HydrophobicContact CZ-CZ 4.3Å; A290-F298 HydrophobicContact CB-CZ 4.08Å; M293-F298 HydrophobicContact CB-CD2 3.84Å; M293-F298 HydrophobicContact CB-CE2 3.56Å; M293-F298 HydrophobicContact CE-CD1 4.36Å; M293-F298 HydrophobicContact CE-CD2 3.92Å; M293-F298 HydrophobicContact CE-CE1 4.3Å; M293-F298 HydrophobicContact CE-CE2 3.91Å; M293-F298 HydrophobicContact CE-CG 4.18Å; M293-F298 HydrophobicContact CE-CZ 4.08Å; M293-F298 HydrophobicContact SD-CE2 4.37Å; D294-F298 WeakPolarHBondContact O-CD2 3.22Å; D294-F298 PolarHBondContact O-N 2.69Å; I295-F298 PolarHBondContact O-N 2.83Å; I295-F298 VanDerWaalsContact O-N 3.13Å; D296-F298 VanDerWaalsContact C-N 3.31Å; D296-F298 PolarHBondContact O-N 3.48Å; F298-L301 PolarHBondContact O-N 3.48Å; F298-L302 VanDerWaalsContact O-CB 3.25Å; F298-L302 WeakPolarHBondContact O-CB 2.97Å; F298-L302 PolarHBondContact O-N 3.12Å
299	I	98.3	Very high	98.3	Very high	58 Å²	58	52.4 Å²	52.4	30%	0.297	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-47.1	174.3	-68	177	0	0	0	109.9	I218 W223 I295 D296 L302 H303	I218-I299 HydrophobicContact CD1-CD1 3.7Å; I218-I299 HydrophobicContact CD1-CG1 3.57Å; W223-I299 HydrophobicContact CH2-CG1 4.49Å; W223-I299 HydrophobicContact CZ3-CG1 3.78Å; I295-I299 HydrophobicContact CG2-CD1 3.75Å; I295-I299 HydrophobicContact CG2-CG1 4.19Å; I295-I299 WeakPolarHBondContact O-CG1 3.44Å; I295-I299 PolarHBondContact O-N 2.83Å; D296-I299 PolarHBondContact O-N 3.46Å; I299-L302 PolarHBondContact O-N 3.27Å; I299-H303 WeakPolarHBondContact O-CB 3.38Å; I299-H303 PolarHBondContact O-N 2.93Å
300	R	98.4	Very high	98.3	Very high	150 Å²	150	47.3 Å²	47.3	57%	0.566	24%	0.242	S	C	*	.	H	α-helix	trans	-62.7	-43.9	178.7	-176	179.7	175.6	178.7	-1	111.7	F285 D296 H303 G304	F285-R300 HydrophobicContact CE2-CB 4.24Å; F285-R300 HydrophobicContact CE2-CG 4.04Å; F285-R300 HydrophobicContact CZ-CB 4.36Å; D296-R300 WeakPolarHBondContact O-CB 3.21Å; D296-R300 PolarHBondContact O-N 3.47Å; R300-H303 PolarHBondContact O-N 2.97Å; R300-G304 PolarHBondContact O-N 3.34Å
301	L	98.5	Very high	98.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-45.5	176.5	-178.8	61	0	0	0	111.4	L226 L238 L280 F285 M293 D297 F298 H303 G304 F305	L226-L301 HydrophobicContact CD1-CD2 3.98Å; L226-L301 HydrophobicContact CD1-CG 4.37Å; L226-L301 HydrophobicContact CD2-CB 4.49Å; L226-L301 HydrophobicContact CD2-CD2 4.33Å; L226-L301 HydrophobicContact CD2-CG 4.29Å; L238-L301 HydrophobicContact CD1-CD2 3.6Å; L280-L301 HydrophobicContact CD2-CD1 3.86Å; F285-L301 HydrophobicContact CB-CD1 3.96Å; F285-L301 HydrophobicContact CD2-CB 4.2Å; F285-L301 HydrophobicContact CD2-CD1 3.94Å; F285-L301 HydrophobicContact CE2-CB 4.21Å; F285-L301 HydrophobicContact CG-CB 4.48Å; F285-L301 HydrophobicContact CG-CD1 3.99Å; F285-L301 HydrophobicContact CZ-CB 4.49Å; M293-L301 HydrophobicContact CE-CD2 3.98Å; D297-L301 WeakPolarHBondContact O-CB 3.47Å; D297-L301 PolarHBondContact O-N 3.35Å; F298-L301 PolarHBondContact O-N 3.48Å; L301-H303 VanDerWaalsContact C-N 3.34Å; L301-H303 PolarHBondContact O-N 3.32Å; L301-G304 PolarHBondContact O-N 3.08Å; L301-F305 HydrophobicContact CD1-CD2 3.98Å; L301-F305 HydrophobicContact CD1-CE2 3.56Å; L301-F305 HydrophobicContact CG-CD2 4.09Å; L301-F305 HydrophobicContact CG-CE2 3.91Å; L301-F305 WeakPolarHBondContact O-CD2 3.38Å; L301-F305 PolarHBondContact O-N 3.31Å; L301-F305 VanDerWaalsContact O-N 3.12Å
302	L	98.6	Very high	98.3	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-43.8	178.4	-178.5	59.5	0	0	0	111.6	I218 E222 W223 L226 F298 I299 G304 F305 N306 F312	I218-L302 HydrophobicContact CG2-CD2 3.98Å; E222-L302 HydrophobicContact CG-CD1 3.81Å; E222-L302 HydrophobicContact CG-CD2 4.28Å; W223-L302 HydrophobicContact CB-CD2 4.48Å; W223-L302 HydrophobicContact CE3-CD2 4.36Å; L226-L302 HydrophobicContact CB-CD1 4.43Å; L226-L302 HydrophobicContact CD2-CB 3.68Å; L226-L302 HydrophobicContact CD2-CD1 4.11Å; L226-L302 HydrophobicContact CD2-CG 4.43Å; F298-L302 VanDerWaalsContact O-CB 3.25Å; F298-L302 WeakPolarHBondContact O-CB 2.97Å; F298-L302 PolarHBondContact O-N 3.12Å; I299-L302 PolarHBondContact O-N 3.27Å; L302-G304 VanDerWaalsContact C-N 3.33Å; L302-G304 PolarHBondContact O-N 3.48Å; L302-F305 PolarHBondContact O-N 2.94Å; L302-N306 WeakPolarHBondContact O-CB 3.4Å; L302-N306 PolarHBondContact O-N 2.99Å; L302-F312 HydrophobicContact CD1-CD2 3.64Å; L302-F312 HydrophobicContact CD1-CE2 3.88Å
303	H	98.3	Very high	98	Very high	130 Å²	130	47 Å²	47	60%	0.602	25%	0.25	S	S	*	.	H	α-helix	trans	-59.4	-43.8	174.6	176.7	68.6	0	0	0	111.8	I299 R300 L301 F305 N306 A307	I299-H303 WeakPolarHBondContact O-CB 3.38Å; I299-H303 PolarHBondContact O-N 2.93Å; R300-H303 PolarHBondContact O-N 2.97Å; L301-H303 VanDerWaalsContact C-N 3.34Å; L301-H303 PolarHBondContact O-N 3.32Å; H303-F305 VanDerWaalsContact C-N 3.31Å; H303-F305 PolarHBondContact O-N 3.18Å; H303-N306 PolarHBondContact O-N 2.9Å; H303-A307 VanDerWaalsContact O-CB 3.28Å; H303-A307 WeakPolarHBondContact O-CB 3.44Å; H303-A307 PolarHBondContact O-N 3.2Å
304	G	98.3	Very high	98	Very high	12 Å²	12	49.4 Å²	49.4	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-37.7	177.4	0	0	0	0	0	113.6	R300 L301 L302 E308	R300-G304 PolarHBondContact O-N 3.34Å; L301-G304 PolarHBondContact O-N 3.08Å; L302-G304 VanDerWaalsContact C-N 3.33Å; L302-G304 PolarHBondContact O-N 3.48Å; G304-E308 WeakPolarHBondContact O-CG 3.38Å
305	F	98.6	Very high	97.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.5	-47.7	172.9	-80.3	-70.4	0	0	0	112.4	F242 I276 I279 L280 L301 L302 H303 A307 E308 G309 I310 F312	F242-F305 HydrophobicContact CD1-CZ 4.31Å; F242-F305 HydrophobicContact CD2-CZ 4.49Å; F242-F305 HydrophobicContact CE1-CE2 4.13Å; F242-F305 AromaticContact CE1-CZ 3.81Å; F242-F305 HydrophobicContact CE1-CZ 3.81Å; F242-F305 HydrophobicContact CE2-CE2 4.11Å; F242-F305 HydrophobicContact CE2-CZ 4.05Å; F242-F305 AromaticContact CZ-CE2 3.63Å; F242-F305 HydrophobicContact CZ-CE2 3.63Å; F242-F305 AromaticContact CZ-CZ 3.68Å; F242-F305 HydrophobicContact CZ-CZ 3.68Å; I276-F305 HydrophobicContact CG1-CE1 4.29Å; I276-F305 HydrophobicContact CG2-CE1 4.09Å; I276-F305 HydrophobicContact CG2-CZ 4.15Å; I279-F305 HydrophobicContact CB-CE1 4.32Å; I279-F305 HydrophobicContact CD1-CD1 3.78Å; I279-F305 HydrophobicContact CD1-CE1 4.06Å; I279-F305 HydrophobicContact CG2-CD1 3.97Å; I279-F305 HydrophobicContact CG2-CD2 4.42Å; I279-F305 HydrophobicContact CG2-CE1 4.01Å; I279-F305 HydrophobicContact CG2-CE2 4.47Å; I279-F305 HydrophobicContact CG2-CG 4.18Å; I279-F305 HydrophobicContact CG2-CZ 4.27Å; L280-F305 HydrophobicContact CD2-CE2 4.27Å; L280-F305 HydrophobicContact CD2-CZ 4.06Å; L280-F305 HydrophobicContact CG-CZ 4.48Å; L301-F305 HydrophobicContact CD1-CD2 3.98Å; L301-F305 HydrophobicContact CD1-CE2 3.56Å; L301-F305 HydrophobicContact CG-CD2 4.09Å; L301-F305 HydrophobicContact CG-CE2 3.91Å; L301-F305 WeakPolarHBondContact O-CD2 3.38Å; L301-F305 PolarHBondContact O-N 3.31Å; L301-F305 VanDerWaalsContact O-N 3.12Å; L302-F305 PolarHBondContact O-N 2.94Å; H303-F305 VanDerWaalsContact C-N 3.31Å; H303-F305 PolarHBondContact O-N 3.18Å; F305-A307 VanDerWaalsContact C-N 3.35Å; F305-A307 PolarHBondContact O-N 2.95Å; F305-E308 CarbonylContact O-C 3.53Å; F305-E308 PolarHBondContact O-N 2.86Å; F305-E308 VanDerWaalsContact O-N 3.07Å; F305-G309 PolarHBondContact O-N 3.15Å; F305-I310 CarbonylContact C-O 3.56Å; F305-I310 VanDerWaalsContact C-O 3.24Å; F305-I310 HydrophobicContact CB-CB 4.26Å; F305-I310 HydrophobicContact CB-CG2 4.42Å; F305-I310 HydrophobicContact CD1-CB 3.97Å; F305-I310 HydrophobicContact CD1-CD1 4.16Å; F305-I310 HydrophobicContact CD1-CG2 3.78Å; F305-I310 HydrophobicContact CG-CG2 4.46Å; F305-I310 PolarHBondContact O-N 2.82Å; F305-F312 HydrophobicContact CB-CE2 3.85Å; F305-F312 HydrophobicContact CB-CZ 4.39Å; F305-F312 HydrophobicContact CD1-CZ 4.45Å; F305-F312 AromaticContact CD2-CE2 3.88Å; F305-F312 HydrophobicContact CD2-CE2 3.88Å; F305-F312 AromaticContact CD2-CZ 3.74Å; F305-F312 HydrophobicContact CD2-CZ 3.74Å; F305-F312 HydrophobicContact CE2-CZ 4.06Å; F305-F312 AromaticContact CG-CE2 3.91Å; F305-F312 HydrophobicContact CG-CE2 3.91Å; F305-F312 AromaticContact CG-CZ 3.95Å; F305-F312 HydrophobicContact CG-CZ 3.95Å
306	N	98.3	Very high	97.9	Very high	49 Å²	49	49.2 Å²	49.2	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-38.9	-177.7	-77	-14.5	0	0	0	112.8	E222 L302 H303 E308 G309 I310 H311	E222-N306 PolarHBondContact OE1-OD1 3.01Å; E222-N306 VanDerWaalsContact OE1-OD1 3.06Å; L302-N306 WeakPolarHBondContact O-CB 3.4Å; L302-N306 PolarHBondContact O-N 2.99Å; H303-N306 PolarHBondContact O-N 2.9Å; N306-E308 PolarHBondContact O-N 3.29Å; N306-G309 PolarHBondContact O-N 3.23Å; N306-G309 VanDerWaalsContact O-N 3.13Å; N306-I310 PolarHBondContact N-O 3.46Å; N306-I310 PolarHBondContact OD1-O 3.46Å; N306-H311 PolarHBondContact OD1-ND1 3.38Å
307	A	97.7	Very high	97.9	Very high	69 Å²	69	45.4 Å²	45.4	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-63.6	-24	177	0	0	0	0	0	112.5	H303 F305	H303-A307 VanDerWaalsContact O-CB 3.28Å; H303-A307 WeakPolarHBondContact O-CB 3.44Å; H303-A307 PolarHBondContact O-N 3.2Å; F305-A307 VanDerWaalsContact C-N 3.35Å; F305-A307 PolarHBondContact O-N 2.95Å
308	E	98.1	Very high	97.9	Very high	92 Å²	92	46.4 Å²	46.4	43%	0.43	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	12	179.5	-70.4	-71.1	154.4	0	0	112.7	Y255 K275 I279 G304 F305 N306 I310	Y255-E308 WeakPolarHBondContact CE2-O 3.42Å; K275-E308 WeakPolarHBondContact CE-O 3.35Å; K275-E308 PolarHBondContact NZ-O 3.28Å; K275-E308 IonicContact NZ-OE2 2.65Å; K275-E308 PolarHBondContact NZ-OE2 3.46Å; I279-E308 HydrophobicContact CD1-CB 3.68Å; I279-E308 HydrophobicContact CD1-CG 4.05Å; I279-E308 HydrophobicContact CG1-CB 4.16Å; I279-E308 HydrophobicContact CG1-CG 3.94Å; G304-E308 WeakPolarHBondContact O-CG 3.38Å; F305-E308 CarbonylContact O-C 3.53Å; F305-E308 PolarHBondContact O-N 2.86Å; F305-E308 VanDerWaalsContact O-N 3.07Å; N306-E308 PolarHBondContact O-N 3.29Å; E308-I310 VanDerWaalsContact C-N 3.3Å; E308-I310 PolarHBondContact O-N 3.08Å
309	G	97.6	Very high	97.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	10.9	178	0	0	0	0	0	114.8	H258 F305 N306	H258-G309 WeakPolarHBondContact CB-O 3.49Å; H258-G309 WeakPolarHBondContact NE2-CA 3.14Å; F305-G309 PolarHBondContact O-N 3.15Å; N306-G309 PolarHBondContact O-N 3.23Å; N306-G309 VanDerWaalsContact O-N 3.13Å
310	I	98.1	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.			trans	-96.5	118	177.9	-61.4	-173.5	0	0	0	109.3	L251 Y255 I272 K275 I276 I279 F305 N306 E308	L251-I310 HydrophobicContact CB-CG2 4.09Å; L251-I310 HydrophobicContact CD1-CG2 4.27Å; L251-I310 HydrophobicContact CD2-CG2 3.88Å; L251-I310 HydrophobicContact CG-CG2 4.28Å; Y255-I310 HydrophobicContact CD2-CG1 3.96Å; Y255-I310 HydrophobicContact CG-CG1 4.42Å; I272-I310 HydrophobicContact CD1-CD1 4Å; K275-I310 HydrophobicContact CD-CD1 4.23Å; K275-I310 HydrophobicContact CG-CD1 4.28Å; I276-I310 HydrophobicContact CG1-CD1 4.27Å; I279-I310 HydrophobicContact CD1-CD1 3.63Å; I279-I310 HydrophobicContact CD1-CG1 4.39Å; F305-I310 CarbonylContact C-O 3.56Å; F305-I310 VanDerWaalsContact C-O 3.24Å; F305-I310 HydrophobicContact CB-CB 4.26Å; F305-I310 HydrophobicContact CB-CG2 4.42Å; F305-I310 HydrophobicContact CD1-CB 3.97Å; F305-I310 HydrophobicContact CD1-CD1 4.16Å; F305-I310 HydrophobicContact CD1-CG2 3.78Å; F305-I310 HydrophobicContact CG-CG2 4.46Å; F305-I310 PolarHBondContact O-N 2.82Å; N306-I310 PolarHBondContact N-O 3.46Å; N306-I310 PolarHBondContact OD1-O 3.46Å; E308-I310 VanDerWaalsContact C-N 3.3Å; E308-I310 PolarHBondContact O-N 3.08Å
311	H	98.3	Very high	97.7	Very high	58 Å²	58	41.1 Å²	41.1	27%	0.269	24%	0.237	S	C	.	.			trans	-116.4	151.7	178.9	-59.2	-66.6	0	0	0	112.1	E222 N254 H258 N306	E222-H311 WeakPolarHBondContact OE1-CA 3.44Å; E222-H311 IonicContact OE1-ND1 2.77Å; N254-H311 WeakPolarHBondContact CB-O 3.34Å; N254-H311 PolarHBondContact ND2-O 3.28Å; H258-H311 AromaticContact ND1-CD2 3.94Å; H258-H311 AromaticContact ND1-NE2 3.47Å; H258-H311 PolarHBondContact ND1-NE2 3.45Å; N306-H311 PolarHBondContact OD1-ND1 3.38Å
312	F	98	Very high	97.7	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.053	26%	0.257	C	S	.	.			trans	-99.6	-7.8	-177.7	-67.9	-83.1	0	0	0	113.8	E222 L226 I229 F242 L251 L302 F305	E222-F312 WeakPolarHBondContact O-CB 3.35Å; E222-F312 WeakPolarHBondContact OE1-CD2 3.28Å; E222-F312 PolarHBondContact OE1-N 3.48Å; E222-F312 PolarHBondContact OE2-N 2.96Å; L226-F312 HydrophobicContact CB-CD1 4.08Å; L226-F312 HydrophobicContact CB-CD2 3.88Å; L226-F312 HydrophobicContact CB-CE1 4.08Å; L226-F312 HydrophobicContact CB-CE2 3.9Å; L226-F312 HydrophobicContact CB-CG 3.98Å; L226-F312 HydrophobicContact CB-CZ 4.02Å; L226-F312 HydrophobicContact CD1-CE1 3.87Å; L226-F312 HydrophobicContact CD1-CE2 3.97Å; L226-F312 HydrophobicContact CD1-CZ 3.47Å; L226-F312 VanDerWaalsContact CD1-CZ 3.47Å; L226-F312 HydrophobicContact CG-CE2 4.33Å; L226-F312 HydrophobicContact CG-CZ 4.25Å; I229-F312 HydrophobicContact CD1-CD1 3.59Å; I229-F312 HydrophobicContact CD1-CE1 3.64Å; F242-F312 AromaticContact CE1-CE1 3.91Å; F242-F312 HydrophobicContact CE1-CE1 3.91Å; F242-F312 HydrophobicContact CE1-CZ 4.05Å; F242-F312 HydrophobicContact CZ-CE1 4.36Å; F242-F312 HydrophobicContact CZ-CZ 4.25Å; L251-F312 HydrophobicContact CD1-CE1 4.33Å; L251-F312 HydrophobicContact CD2-CD1 3.77Å; L251-F312 HydrophobicContact CD2-CE1 3.71Å; L251-F312 HydrophobicContact CD2-CG 4.47Å; L251-F312 HydrophobicContact CD2-CZ 4.35Å; L302-F312 HydrophobicContact CD1-CD2 3.64Å; L302-F312 HydrophobicContact CD1-CE2 3.88Å; F305-F312 HydrophobicContact CB-CE2 3.85Å; F305-F312 HydrophobicContact CB-CZ 4.39Å; F305-F312 HydrophobicContact CD1-CZ 4.45Å; F305-F312 AromaticContact CD2-CE2 3.88Å; F305-F312 HydrophobicContact CD2-CE2 3.88Å; F305-F312 AromaticContact CD2-CZ 3.74Å; F305-F312 HydrophobicContact CD2-CZ 3.74Å; F305-F312 HydrophobicContact CE2-CZ 4.06Å; F305-F312 AromaticContact CG-CE2 3.91Å; F305-F312 HydrophobicContact CG-CE2 3.91Å; F305-F312 AromaticContact CG-CZ 3.95Å; F305-F312 HydrophobicContact CG-CZ 3.95Å
313	S	92.5	Very high	97.6	Very high	102 Å²	102	47.7 Å²	47.7	71%	0.713	28%	0.276	S	S	*	.			trans	-129.8	0	175.4	55.3	0	0	0	0	113.2	E222	E222-S313 PolarHBondContact OE2-N 3.42Å; E222-S313 PolarHBondContact OE2-OG 3.22Å

Retrieved 313 of 313 residues in 60.9 ms (Link to these results)

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