A0A087X7G5_POEFO Loading...

Single-strand-selective monofunctional uracil-DNA glycosylase 1

AlphaFold DB , UniProt , Accession A0A087X7G5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 278 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	38.4	Very low	36.1	Very low	145 Å²	145	139.7 Å²	139.7	100%	1.198	83%	0.83	S	S	*	*				0	82.6	0	0	0	0	0	0	107
2	T	35.7	Very low	36.4	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	83%	0.831	S	S	*	*				65.7	92.8	92.8	-37.5	0	0	0	0	112
3	H	36.7	Very low	36.2	Very low	182 Å²	182	133.7 Å²	133.7	84%	0.843	83%	0.831	S	S	*	*				-173.3	133.6	103.9	-106.2	-53.6	0	0	0	112.7
4	L	33.4	Very low	36.5	Very low	151 Å²	151	135.6 Å²	135.6	79%	0.791	83%	0.833	S	S	*	*			trans	-89.3	133.5	169.2	-148.7	94.3	0	0	0	107.8
5	I	44.4	Very low	36.9	Very low	169 Å²	169	139.1 Å²	139.1	87%	0.867	84%	0.835	S	S	*	*			trans	-143.1	122.4	149.9	-61.1	-174.6	0	0	0	108.2
6	M	34.7	Very low	37.2	Very low	149 Å²	149	138.5 Å²	138.5	73%	0.734	84%	0.836	S	S	*	*			trans	-88.8	148.4	166.4	-70.4	-82.3	-138.2	0	0	109.4
7	L	35	Very low	37	Very low	152 Å²	152	133.9 Å²	133.9	80%	0.796	82%	0.824	S	S	*	*				167.1	124	115.7	-86.7	163.7	0	0	0	113
8	D	34.2	Very low	37	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	83%	0.832	S	S	*	*			trans	43.1	135	138.1	-65.7	-9.7	0	0	0	124.1
9	G	32.5	Very low	37.3	Very low	76 Å²	76	136 Å²	136	78%	0.784	83%	0.833	S	S	*	*			trans	171.8	82.7	161.1	0	0	0	0	0	114.4
10	S	35.1	Very low	37.5	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	83%	0.826	S	S	*	*			trans	-43.3	142.5	163.5	53.7	0	0	0	0	113.3
11	T	37.5	Very low	37.8	Very low	132 Å²	132	135.9 Å²	135.9	81%	0.81	83%	0.833	S	S	*	*				179.1	151.9	81.9	30.5	0	0	0	0	110.4
12	S	38.9	Very low	38	Very low	121 Å²	121	137.5 Å²	137.5	85%	0.846	82%	0.816	S	S	*	*			trans	-58.6	137.6	176.2	49.9	0	0	0	0	115.4
13	G	34.4	Very low	38.3	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	82%	0.822	S	S	*	*			trans	-153.1	111.5	162.2	0	0	0	0	0	109.6
14	N	39.6	Very low	38.6	Very low	161 Å²	161	142.2 Å²	142.2	86%	0.861	83%	0.825	S	S	*	*			trans	-99.3	111.9	-178.5	-166.3	29.4	0	0	0	107.9
15	E	42.8	Very low	39.1	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	83%	0.826	S	S	*	*			trans	-138.5	122.3	165.4	-77.6	-154.8	158.8	0	0	110
16	P	41.9	Very low	38.9	Very low	130 Å²	130	138.2 Å²	138.2	84%	0.844	82%	0.819	S	S	*	*			trans	-98.8	108.9	161.4	31.4	-21.2	0	0	0	109.2
17	G	33.2	Very low	39.6	Very low	61 Å²	61	139.3 Å²	139.3	63%	0.629	82%	0.822	S	S	*	*			trans	-124.5	128.2	176.6	0	0	0	0	0	112.4
18	L	37.2	Very low	40.2	Very low	185 Å²	185	137 Å²	137	97%	0.969	82%	0.816	S	S	*	*			trans	104	78.2	166.7	-73.3	88.1	0	0	0	117.3
19	S	42.2	Very low	41.1	Very low	122 Å²	122	134 Å²	134	85%	0.853	81%	0.813	S	S	*	*			trans	-138.7	136.4	145.8	160.2	0	0	0	0	108.5
20	A	42.3	Very low	42.5	Very low	85 Å²	85	137.9 Å²	137.9	70%	0.702	82%	0.816	S	S	*	*			trans	84.7	76.9	169.8	0	0	0	0	0	118
21	L	42.6	Very low	44.8	Very low	185 Å²	185	137.5 Å²	137.5	97%	0.969	80%	0.803	S	S	*	*			trans	-107.5	77.7	141.5	-77.3	168.1	0	0	0	107.9
22	Q	44.2	Very low	47.6	Very low	179 Å²	179	134.4 Å²	134.4	84%	0.836	78%	0.783	S	S	*	*			trans	-98.2	115.9	164.7	-147	149.8	19.5	0	0	106.2	R24	Q22-R24 PolarHBondContact O-N 3.29Å
23	N	41.9	Very low	50.3	Low	160 Å²	160	129.6 Å²	129.6	86%	0.856	75%	0.75	S	S	*	*			trans	-44.7	100	179.1	-74.1	-31.4	0	0	0	111.1	V25	N23-V25 PolarHBondContact O-N 2.88Å
24	R	42.1	Very low	53.3	Low	238 Å²	238	126.4 Å²	126.4	90%	0.898	72%	0.715	S	S	*	*			trans	-77.1	102.4	156.8	-68.9	-174.4	-168.9	-149.3	2.4	105.5	Q22 S26	Q22-R24 PolarHBondContact O-N 3.29Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 3.02Å
25	V	43.3	Very low	56.1	Low	133 Å²	133	120.9 Å²	120.9	81%	0.806	69%	0.689	S	S	*	*			trans	-57.8	109.2	154.7	177.9	0	0	0	0	104.7	N23 E27	N23-V25 PolarHBondContact O-N 2.88Å; V25-E27 PolarHBondContact O-N 3.14Å; V25-E27 VanDerWaalsContact O-N 3.14Å
26	S	42.1	Very low	58.7	Low	104 Å²	104	116 Å²	116	73%	0.727	66%	0.662	S	S	*	*			trans	-59.8	111.7	172.4	40.4	0	0	0	0	108	R24	R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 3.02Å
27	E	48.8	Very low	61.4	Low	172 Å²	172	109.8 Å²	109.8	80%	0.804	62%	0.622	S	S	*	*			trans	-54.3	136.9	162.6	-70.9	-169.2	158.8	0	0	108.3	V25 A29	V25-E27 PolarHBondContact O-N 3.14Å; V25-E27 VanDerWaalsContact O-N 3.14Å; E27-A29 PolarHBondContact O-N 3.44Å
28	P	48.1	Very low	64.5	Low	103 Å²	103	107.5 Å²	107.5	67%	0.669	60%	0.595	S	S	*	*			trans	-63.1	113.8	-178.7	26.2	-32.7	0	0	0	109	D30	P28-D30 PolarHBondContact O-N 3.49Å
29	A	53.4	Low	67.4	Low	94 Å²	94	102.8 Å²	102.8	78%	0.777	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	25	-164.1	0	0	0	0	0	115.6	E27	E27-A29 PolarHBondContact O-N 3.44Å
30	D	60.7	Low	70.1	Confident	157 Å²	157	97.2 Å²	97.2	84%	0.84	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.1	25.6	-171.9	-96.2	-31.4	0	0	0	116.6	P28 T32	P28-D30 PolarHBondContact O-N 3.49Å; D30-T32 PolarHBondContact O-N 3.01Å
31	E	84.6	Confident	72.8	Confident	99 Å²	99	93.2 Å²	93.2	46%	0.463	50%	0.496	S	S	.	.			trans	-80.8	106.6	173.7	-76.3	-173	-178.3	0	0	112.2	R36	E31-R36 HydrophobicContact CB-CG 3.93Å; E31-R36 WeakPolarHBondContact OE2-CG 3.19Å
32	T	94.7	Very high	75.5	Confident	66 Å²	66	89.2 Å²	89.2	41%	0.405	47%	0.473	S	S	.	.			trans	-64.4	155.7	174.4	66.3	0	0	0	0	111.5	D30 S34 S35 R36	D30-T32 PolarHBondContact O-N 3.01Å; T32-S34 PolarHBondContact O-N 3.37Å; T32-S34 PolarHBondContact OG1-OG 3.25Å; T32-S35 PolarHBondContact N-OG 3.23Å; T32-S35 VanDerWaalsContact N-OG 3.08Å; T32-S35 PolarHBondContact O-N 2.91Å; T32-S35 PolarHBondContact O-OG 3.45Å; T32-S35 WeakPolarHBondContact OG1-CB 3.33Å; T32-S35 PolarHBondContact OG1-N 3.21Å; T32-S35 VanDerWaalsContact OG1-N 3.09Å; T32-S35 PolarHBondContact OG1-OG 2.87Å; T32-R36 PolarHBondContact O-N 3.41Å; T32-R36 VanDerWaalsContact O-N 3.17Å
33	P	95.7	Very high	78.1	Confident	21 Å²	21	84.1 Å²	84.1	14%	0.136	45%	0.449	C	S	.	.	H	α-helix	trans	-51.9	-39.4	171.1	-29.1	37	0	0	0	113.4	F37 P81 A210	P33-F37 WeakPolarHBondContact O-CB 3.32Å; P33-F37 PolarHBondContact O-N 3.47Å; P33-P81 HydrophobicContact CG-CB 4.41Å; P33-P81 HydrophobicContact CG-CG 3.94Å; P33-A210 WeakPolarHBondContact CB-O 3.24Å
34	S	97.6	Very high	80.8	Confident	13 Å²	13	76.7 Å²	76.7	9%	0.091	41%	0.409	C	S	.	.	H	α-helix	trans	-62.8	-41.2	176.1	55.8	0	0	0	0	112.9	T32 F37 L38 C79	T32-S34 PolarHBondContact O-N 3.37Å; T32-S34 PolarHBondContact OG1-OG 3.25Å; S34-F37 PolarHBondContact O-N 3.21Å; S34-L38 WeakPolarHBondContact O-CB 3.42Å; S34-L38 VanDerWaalsContact O-CG 3.28Å; S34-L38 WeakPolarHBondContact O-CG 3.38Å; S34-L38 PolarHBondContact O-N 3.13Å; S34-C79 WeakPolarHBondContact CB-O 3.49Å; S34-C79 PolarHBondContact N-O 2.95Å
35	S	97.9	Very high	83.5	Confident	45 Å²	45	65.7 Å²	65.7	32%	0.315	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-46.6	178.8	69.3	0	0	0	0	112.2	T32 F37 L38 Q39	T32-S35 PolarHBondContact N-OG 3.23Å; T32-S35 VanDerWaalsContact N-OG 3.08Å; T32-S35 PolarHBondContact O-N 2.91Å; T32-S35 PolarHBondContact O-OG 3.45Å; T32-S35 WeakPolarHBondContact OG1-CB 3.33Å; T32-S35 PolarHBondContact OG1-N 3.21Å; T32-S35 VanDerWaalsContact OG1-N 3.09Å; T32-S35 PolarHBondContact OG1-OG 2.87Å; S35-F37 VanDerWaalsContact C-N 3.33Å; S35-F37 PolarHBondContact O-N 3.21Å; S35-L38 PolarHBondContact O-N 3.02Å; S35-Q39 WeakPolarHBondContact O-CB 3.47Å; S35-Q39 PolarHBondContact O-N 3.47Å
36	R	98.1	Very high	86.1	Confident	84 Å²	84	61.7 Å²	61.7	32%	0.317	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.1	-65	-170.7	-66.8	143.3	3.2	112.1	E31 T32 Q39 A40 A210	E31-R36 HydrophobicContact CB-CG 3.93Å; E31-R36 WeakPolarHBondContact OE2-CG 3.19Å; T32-R36 PolarHBondContact O-N 3.41Å; T32-R36 VanDerWaalsContact O-N 3.17Å; R36-Q39 PolarHBondContact O-N 3.41Å; R36-A40 PolarHBondContact O-N 3.02Å; R36-A210 HydrophobicContact CB-CB 3.8Å; R36-A210 PolarHBondContact NH2-O 3.44Å
37	F	98.6	Very high	88.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-51.3	176	-174.1	-79.3	0	0	0	111.6	P33 S34 S35 Q39 A40 E41 V75 F166 H168 V207 L211	P33-F37 WeakPolarHBondContact O-CB 3.32Å; P33-F37 PolarHBondContact O-N 3.47Å; S34-F37 PolarHBondContact O-N 3.21Å; S35-F37 VanDerWaalsContact C-N 3.33Å; S35-F37 PolarHBondContact O-N 3.21Å; F37-Q39 VanDerWaalsContact C-N 3.28Å; F37-Q39 PolarHBondContact O-N 3.21Å; F37-A40 PolarHBondContact O-N 2.73Å; F37-E41 HydrophobicContact CD1-CG 4.38Å; F37-E41 WeakPolarHBondContact CD1-OE2 3.45Å; F37-E41 HydrophobicContact CE1-CG 4.1Å; F37-E41 WeakPolarHBondContact CE1-OE1 3.44Å; F37-E41 VanDerWaalsContact CE1-OE2 3.27Å; F37-E41 WeakPolarHBondContact CE1-OE2 3.44Å; F37-E41 PolarHBondContact O-N 2.83Å; F37-E41 VanDerWaalsContact O-N 3.12Å; F37-V75 HydrophobicContact CB-CG1 4.36Å; F37-V75 HydrophobicContact CD1-CG1 3.69Å; F37-V75 HydrophobicContact CD1-CG2 3.97Å; F37-V75 HydrophobicContact CE1-CG1 4.32Å; F37-V75 HydrophobicContact CE1-CG2 3.82Å; F37-V75 HydrophobicContact CG-CG1 4.25Å; F37-F166 HydrophobicContact CD2-CE1 4.34Å; F37-F166 HydrophobicContact CE1-CE1 4.16Å; F37-F166 HydrophobicContact CE2-CD1 4Å; F37-F166 AromaticContact CE2-CE1 3.7Å; F37-F166 HydrophobicContact CE2-CE1 3.7Å; F37-F166 HydrophobicContact CZ-CD1 4.28Å; F37-F166 AromaticContact CZ-CE1 3.61Å; F37-F166 HydrophobicContact CZ-CE1 3.61Å; F37-H168 HydrophobicContact CZ-CB 4.19Å; F37-H168 AromaticContact CZ-CE1 3.94Å; F37-H168 AromaticContact CZ-CG 3.78Å; F37-H168 AromaticContact CZ-ND1 3.47Å; F37-H168 WeakPolarHBondContact CZ-ND1 3.18Å; F37-V207 HydrophobicContact CD2-CB 4.4Å; F37-V207 HydrophobicContact CD2-CG1 3.81Å; F37-V207 HydrophobicContact CD2-CG2 4.1Å; F37-V207 HydrophobicContact CE2-CB 4.28Å; F37-V207 HydrophobicContact CE2-CG1 3.39Å; F37-V207 HydrophobicContact CE2-CG2 3.99Å; F37-V207 HydrophobicContact CZ-CG1 4.36Å; F37-L211 HydrophobicContact CD2-CD1 4.27Å; F37-L211 HydrophobicContact CD2-CD2 4.04Å; F37-L211 HydrophobicContact CD2-CG 4.08Å; F37-L211 HydrophobicContact CE2-CD1 4.12Å; F37-L211 HydrophobicContact CE2-CD2 4.47Å; F37-L211 HydrophobicContact CE2-CG 4.43Å
38	L	98.8	Very high	91.2	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-37.1	178.7	-70.3	169.9	0	0	0	111.6	S34 S35 E41 Q42 W68 R72 V75 E76	S34-L38 WeakPolarHBondContact O-CB 3.42Å; S34-L38 VanDerWaalsContact O-CG 3.28Å; S34-L38 WeakPolarHBondContact O-CG 3.38Å; S34-L38 PolarHBondContact O-N 3.13Å; S35-L38 PolarHBondContact O-N 3.02Å; L38-E41 PolarHBondContact O-N 3.03Å; L38-Q42 WeakPolarHBondContact O-CG 3.48Å; L38-Q42 PolarHBondContact O-N 3.39Å; L38-W68 HydrophobicContact CB-CH2 4.1Å; L38-W68 HydrophobicContact CB-CZ2 4.43Å; L38-W68 HydrophobicContact CD2-CH2 3.52Å; L38-W68 HydrophobicContact CD2-CZ2 3.93Å; L38-W68 HydrophobicContact CD2-CZ3 4.19Å; L38-W68 HydrophobicContact CG-CH2 4.36Å; L38-R72 HydrophobicContact CD1-CG 4.11Å; L38-V75 HydrophobicContact CD1-CG1 4.28Å; L38-V75 HydrophobicContact CD2-CB 3.82Å; L38-V75 HydrophobicContact CD2-CG1 3.9Å; L38-V75 HydrophobicContact CD2-CG2 3.92Å; L38-V75 HydrophobicContact CG-CB 4.19Å; L38-V75 HydrophobicContact CG-CG1 3.77Å; L38-E76 HydrophobicContact CD1-CG 4.22Å
39	Q	98.6	Very high	93.5	Very high	85 Å²	85	56.2 Å²	56.2	40%	0.397	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-46.6	174.6	-174.6	179.9	26.3	0	0	111.4	S35 R36 F37 E41 Q42 E43	S35-Q39 WeakPolarHBondContact O-CB 3.47Å; S35-Q39 PolarHBondContact O-N 3.47Å; R36-Q39 PolarHBondContact O-N 3.41Å; F37-Q39 VanDerWaalsContact C-N 3.28Å; F37-Q39 PolarHBondContact O-N 3.21Å; Q39-E41 VanDerWaalsContact C-N 3.27Å; Q39-E41 PolarHBondContact O-N 2.99Å; Q39-Q42 PolarHBondContact O-N 2.88Å; Q39-E43 WeakPolarHBondContact O-CG 3.29Å; Q39-E43 PolarHBondContact O-N 2.94Å
40	A	98.7	Very high	95.6	Very high	5 Å²	5	54.9 Å²	54.9	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-37.9	176.9	0	0	0	0	0	112.3	R36 F37 L44 K206 V207	R36-A40 PolarHBondContact O-N 3.02Å; F37-A40 PolarHBondContact O-N 2.73Å; A40-L44 WeakPolarHBondContact O-CB 3.48Å; A40-L44 PolarHBondContact O-N 3.44Å; A40-K206 HydrophobicContact CB-CB 3.9Å; A40-K206 HydrophobicContact CB-CD 4.43Å; A40-V207 HydrophobicContact CB-CG2 4.27Å
41	E	98.8	Very high	97.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-69.7	-39.5	175.2	-74.5	-178.3	135.1	0	0	113.2	F37 L38 Q39 L44 N45 L64 H71 H168	F37-E41 HydrophobicContact CD1-CG 4.38Å; F37-E41 WeakPolarHBondContact CD1-OE2 3.45Å; F37-E41 HydrophobicContact CE1-CG 4.1Å; F37-E41 WeakPolarHBondContact CE1-OE1 3.44Å; F37-E41 VanDerWaalsContact CE1-OE2 3.27Å; F37-E41 WeakPolarHBondContact CE1-OE2 3.44Å; F37-E41 PolarHBondContact O-N 2.83Å; F37-E41 VanDerWaalsContact O-N 3.12Å; L38-E41 PolarHBondContact O-N 3.03Å; Q39-E41 VanDerWaalsContact C-N 3.27Å; Q39-E41 PolarHBondContact O-N 2.99Å; E41-L44 PolarHBondContact O-N 3.49Å; E41-N45 WeakPolarHBondContact O-CB 3.34Å; E41-N45 PolarHBondContact O-N 3.2Å; E41-L64 HydrophobicContact CB-CD1 4.09Å; E41-L64 HydrophobicContact CG-CD1 4.09Å; E41-H71 VanDerWaalsContact CD-NE2 3.3Å; E41-H71 IonicContact OE1-CE1 2.85Å; E41-H71 PolarHBondContact OE1-CE1 3.03Å; E41-H71 IonicContact OE1-NE2 3.46Å; E41-H71 PolarHBondContact OE1-NE2 2.58Å; E41-H71 VanDerWaalsContact OE1-NE2 3.11Å; E41-H71 IonicContact OE2-CD2 2.83Å; E41-H71 IonicContact OE2-CE1 3.23Å; E41-H71 IonicContact OE2-NE2 3.57Å; E41-H71 PolarHBondContact OE2-NE2 3.39Å; E41-H168 IonicContact OE1-CE1 3.42Å; E41-H168 PolarHBondContact OE1-CE1 3.31Å; E41-H168 IonicContact OE1-ND1 3.9Å; E41-H168 PolarHBondContact OE1-ND1 2.82Å
42	Q	98.8	Very high	98	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-41.6	175.7	-74.4	177.4	-7.2	0	0	112	L38 Q39 N45 A46 W68	L38-Q42 WeakPolarHBondContact O-CG 3.48Å; L38-Q42 PolarHBondContact O-N 3.39Å; Q39-Q42 PolarHBondContact O-N 2.88Å; Q42-N45 PolarHBondContact O-N 3Å; Q42-A46 PolarHBondContact O-N 3.5Å; Q42-W68 HydrophobicContact CG-CH2 3.71Å; Q42-W68 HydrophobicContact CG-CZ2 4.12Å; Q42-W68 HydrophobicContact CG-CZ3 4.36Å
43	E	98.8	Very high	98.1	Very high	71 Å²	71	49 Å²	49	33%	0.332	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-44.5	173.3	-71.7	176.6	177.4	0	0	111.3	Q39 N45 A46 L47 K206	Q39-E43 WeakPolarHBondContact O-CG 3.29Å; Q39-E43 PolarHBondContact O-N 2.94Å; E43-N45 PolarHBondContact O-N 3.3Å; E43-A46 PolarHBondContact O-N 3.2Å; E43-L47 WeakPolarHBondContact O-CG 3.35Å; E43-L47 PolarHBondContact O-N 3.25Å; E43-L47 VanDerWaalsContact O-N 3.12Å; E43-K206 IonicContact OE2-NZ 3.19Å; E43-K206 PolarHBondContact OE2-NZ 3.03Å
44	L	98.8	Very high	98.1	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-47.9	174	178	60.9	0	0	0	110.9	A40 E41 A46 L47 L48 P172 L199 A203	A40-L44 WeakPolarHBondContact O-CB 3.48Å; A40-L44 PolarHBondContact O-N 3.44Å; E41-L44 PolarHBondContact O-N 3.49Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 3.36Å; L44-L47 PolarHBondContact O-N 3.45Å; L44-L47 VanDerWaalsContact O-N 3.11Å; L44-L48 HydrophobicContact CD1-CD1 3.98Å; L44-L48 HydrophobicContact CD1-CD2 4.19Å; L44-L48 HydrophobicContact CD1-CG 3.85Å; L44-L48 HydrophobicContact CD2-CD1 4.28Å; L44-L48 HydrophobicContact CG-CD1 3.73Å; L44-L48 HydrophobicContact CG-CG 4.06Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.39Å; L44-P172 HydrophobicContact CD2-CG 4.03Å; L44-L199 HydrophobicContact CD1-CB 4.06Å; L44-A203 HydrophobicContact CB-CB 3.92Å; L44-A203 HydrophobicContact CD1-CB 4Å; L44-A203 HydrophobicContact CD2-CB 3.8Å; L44-A203 HydrophobicContact CG-CB 4.1Å
45	N	98.6	Very high	97.9	Very high	7 Å²	7	52 Å²	52	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-41.6	177.4	-78.1	-20	0	0	0	112	E41 Q42 E43 L47 L48 R49 N62 L64	E41-N45 WeakPolarHBondContact O-CB 3.34Å; E41-N45 PolarHBondContact O-N 3.2Å; Q42-N45 PolarHBondContact O-N 3Å; E43-N45 PolarHBondContact O-N 3.3Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 2.77Å; N45-L48 PolarHBondContact O-N 3.42Å; N45-R49 WeakPolarHBondContact O-CG 3.37Å; N45-R49 PolarHBondContact O-N 2.88Å; N45-R49 VanDerWaalsContact O-N 3.12Å; N45-N62 PolarHBondContact OD1-ND2 3.05Å; N45-L64 VanDerWaalsContact ND2-CB 3.29Å; N45-L64 WeakPolarHBondContact ND2-CB 3.49Å; N45-L64 PolarHBondContact ND2-O 3.35Å
46	A	98.6	Very high	97.8	Very high	49 Å²	49	53.1 Å²	53.1	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-42.2	176.5	0	0	0	0	0	112.7	Q42 E43 L44 R49	Q42-A46 PolarHBondContact O-N 3.5Å; E43-A46 PolarHBondContact O-N 3.2Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 3.36Å; A46-R49 VanDerWaalsContact CA-NH2 3.34Å
47	L	98.7	Very high	97.8	Very high	98 Å²	98	50 Å²	50	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-69.3	-40.5	177	-64.5	167.5	0	0	0	111.8	E43 L44 N45 R49 G50 L199	E43-L47 WeakPolarHBondContact O-CG 3.35Å; E43-L47 PolarHBondContact O-N 3.25Å; E43-L47 VanDerWaalsContact O-N 3.12Å; L44-L47 PolarHBondContact O-N 3.45Å; L44-L47 VanDerWaalsContact O-N 3.11Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 2.77Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.18Å; L47-G50 PolarHBondContact O-N 3.36Å; L47-G50 VanDerWaalsContact O-N 3.13Å; L47-L199 HydrophobicContact CB-CD1 4.04Å; L47-L199 HydrophobicContact CB-CD2 4.3Å; L47-L199 HydrophobicContact CD1-CD2 4.21Å
48	L	98.5	Very high	97.7	Very high	9 Å²	9	55.2 Å²	55.2	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-31	-179	-70.1	178.2	0	0	0	113.2	L44 N45 G50 L51 P172 L173 L196 L199	L44-L48 HydrophobicContact CD1-CD1 3.98Å; L44-L48 HydrophobicContact CD1-CD2 4.19Å; L44-L48 HydrophobicContact CD1-CG 3.85Å; L44-L48 HydrophobicContact CD2-CD1 4.28Å; L44-L48 HydrophobicContact CG-CD1 3.73Å; L44-L48 HydrophobicContact CG-CG 4.06Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.39Å; N45-L48 PolarHBondContact O-N 3.42Å; L48-G50 PolarHBondContact O-N 3.29Å; L48-L51 HydrophobicContact CD2-CD1 3.79Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 2.89Å; L48-P172 HydrophobicContact CD1-CG 3.49Å; L48-P172 VanDerWaalsContact CD1-CG 3.49Å; L48-L173 HydrophobicContact CB-CD1 4.41Å; L48-L173 HydrophobicContact CD1-CD1 4.15Å; L48-L173 HydrophobicContact CD1-CD2 4.27Å; L48-L173 HydrophobicContact CD1-CG 4Å; L48-L173 HydrophobicContact CD2-CD1 4.24Å; L48-L196 HydrophobicContact CD2-CD1 3.42Å; L48-L196 VanDerWaalsContact CD2-CD1 3.42Å; L48-L199 HydrophobicContact CD2-CD1 4.3Å
49	R	97.4	Very high	97.7	Very high	156 Å²	156	56 Å²	56	59%	0.589	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.7	173.5	-77.4	-171	-69.3	-96	6	113.4	N45 A46 L47 L51 E65	N45-R49 WeakPolarHBondContact O-CG 3.37Å; N45-R49 PolarHBondContact O-N 2.88Å; N45-R49 VanDerWaalsContact O-N 3.12Å; A46-R49 VanDerWaalsContact CA-NH2 3.34Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.18Å; R49-L51 VanDerWaalsContact C-N 3.3Å; R49-E65 IonicContact CZ-OE1 2.83Å; R49-E65 IonicContact NH1-OE1 2.83Å; R49-E65 PolarHBondContact NH1-OE1 3.06Å
50	G	97.1	Very high	97.7	Very high	67 Å²	67	55.2 Å²	55.2	69%	0.691	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.1	177.1	0	0	0	0	0	114.5	L47 L48	L47-G50 PolarHBondContact O-N 3.36Å; L47-G50 VanDerWaalsContact O-N 3.13Å; L48-G50 PolarHBondContact O-N 3.29Å
51	L	97.8	Very high	97.7	Very high	41 Å²	41	55 Å²	55	22%	0.215	32%	0.318	C	S	.	.			trans	-86.2	142.3	-179.6	-61.9	-175.4	0	0	0	112	L48 R49 F53 K195 L196 L199	L48-L51 HydrophobicContact CD2-CD1 3.79Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 2.89Å; R49-L51 VanDerWaalsContact C-N 3.3Å; L51-F53 HydrophobicContact CB-CD2 4.47Å; L51-F53 HydrophobicContact CB-CE2 3.65Å; L51-F53 HydrophobicContact CB-CZ 3.96Å; L51-F53 HydrophobicContact CD1-CE2 4.3Å; L51-F53 HydrophobicContact CD1-CZ 3.82Å; L51-K195 HydrophobicContact CD2-CB 4.43Å; L51-L196 HydrophobicContact CD1-CB 4.1Å; L51-L196 HydrophobicContact CD1-CD1 3.97Å; L51-L199 HydrophobicContact CD1-CD1 4.08Å; L51-L199 HydrophobicContact CD2-CD1 4.13Å; L51-L199 HydrophobicContact CG-CD1 4.22Å
52	T	96.6	Very high	97.7	Very high	124 Å²	124	55.5 Å²	55.5	76%	0.761	32%	0.32	S	S	*	.			trans	-117.5	141.8	170.1	58.1	0	0	0	0	109.6
53	F	97.1	Very high	97.7	Very high	34 Å²	34	50.7 Å²	50.7	15%	0.149	30%	0.298	C	S	.	.			trans	-123.7	130	-179.5	-61.7	-93.2	0	0	0	110.3	L51 V57 I60 F175 L188 E192 L196	L51-F53 HydrophobicContact CB-CD2 4.47Å; L51-F53 HydrophobicContact CB-CE2 3.65Å; L51-F53 HydrophobicContact CB-CZ 3.96Å; L51-F53 HydrophobicContact CD1-CE2 4.3Å; L51-F53 HydrophobicContact CD1-CZ 3.82Å; F53-V57 HydrophobicContact CB-CB 3.89Å; F53-V57 HydrophobicContact CB-CG1 3.96Å; F53-V57 HydrophobicContact CB-CG2 4.05Å; F53-I60 HydrophobicContact CB-CD1 4.13Å; F53-I60 HydrophobicContact CD2-CD1 3.25Å; F53-I60 HydrophobicContact CE2-CD1 3.9Å; F53-I60 HydrophobicContact CG-CD1 3.94Å; F53-F175 HydrophobicContact CD1-CE1 4.01Å; F53-F175 HydrophobicContact CD2-CE1 4.15Å; F53-F175 AromaticContact CE1-CE1 3.72Å; F53-F175 HydrophobicContact CE1-CE1 3.72Å; F53-F175 HydrophobicContact CE1-CZ 4.04Å; F53-F175 AromaticContact CE2-CE1 3.85Å; F53-F175 HydrophobicContact CE2-CE1 3.85Å; F53-F175 HydrophobicContact CE2-CZ 4.48Å; F53-F175 HydrophobicContact CG-CE1 4.21Å; F53-F175 AromaticContact CZ-CE1 3.62Å; F53-F175 HydrophobicContact CZ-CE1 3.62Å; F53-F175 AromaticContact CZ-CZ 3.9Å; F53-F175 HydrophobicContact CZ-CZ 3.9Å; F53-L188 HydrophobicContact CE1-CD1 4.26Å; F53-E192 WeakPolarHBondContact CA-OE2 3.25Å; F53-E192 HydrophobicContact CD1-CB 4.05Å; F53-E192 HydrophobicContact CE1-CB 4.34Å; F53-L196 HydrophobicContact CE1-CB 4.38Å; F53-L196 HydrophobicContact CE1-CD2 4.27Å; F53-L196 HydrophobicContact CZ-CB 4.4Å; F53-L196 HydrophobicContact CZ-CD1 4.36Å; F53-L196 HydrophobicContact CZ-CD2 4.38Å
54	G	95.5	Very high	97.7	Very high	30 Å²	30	47.5 Å²	47.5	31%	0.309	28%	0.283	S	S	.	.			trans	-83.5	-175.8	174.3	0	0	0	0	0	112.8	V57 E192	G54-V57 WeakPolarHBondContact O-CB 3.36Å; G54-V57 PolarHBondContact O-N 2.91Å; G54-E192 VanDerWaalsContact N-CD 3.32Å; G54-E192 PolarHBondContact N-OE1 3.3Å; G54-E192 PolarHBondContact N-OE2 2.85Å
55	G	93.8	Very high	97.7	Very high	66 Å²	66	51.6 Å²	51.6	68%	0.68	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	138.8	172.2	0	0	0	0	0	111.3
56	P	95.8	Very high	97.7	Very high	69 Å²	69	52.4 Å²	52.4	45%	0.448	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.3	8.4	14.8	35.3	-35.3	0	0	0	115.4	S177 L183	P56-S177 VanDerWaalsContact O-CA 3.31Å; P56-S177 WeakPolarHBondContact O-CA 3.35Å; P56-L183 HydrophobicContact CB-CD1 4.26Å; P56-L183 HydrophobicContact CG-CD1 3.91Å; P56-L183 HydrophobicContact CG-CD2 4.3Å
57	V	98.1	Very high	97.7	Very high	17 Å²	17	50.1 Å²	50.1	10%	0.103	29%	0.286	C	S	.	.			trans	-71.3	130.8	-179.7	-176.6	0	0	0	0	110.1	F53 G54 I60 F175 L183 L188	F53-V57 HydrophobicContact CB-CB 3.89Å; F53-V57 HydrophobicContact CB-CG1 3.96Å; F53-V57 HydrophobicContact CB-CG2 4.05Å; G54-V57 WeakPolarHBondContact O-CB 3.36Å; G54-V57 PolarHBondContact O-N 2.91Å; V57-I60 HydrophobicContact CG1-CD1 3.96Å; V57-I60 HydrophobicContact CG1-CG1 3.59Å; V57-F175 HydrophobicContact CG1-CB 4.48Å; V57-F175 HydrophobicContact CG1-CD1 3.99Å; V57-F175 HydrophobicContact CG2-CB 4.48Å; V57-F175 HydrophobicContact CG2-CD1 4.32Å; V57-L183 HydrophobicContact CG2-CD1 4.06Å; V57-L188 HydrophobicContact CG2-CD2 3.45Å; V57-L188 VanDerWaalsContact CG2-CD2 3.45Å
58	R	97.8	Very high	97.7	Very high	110 Å²	110	47.6 Å²	47.6	42%	0.415	27%	0.269	S	S	.	.			trans	-125.5	-34.1	174.4	179.3	58.3	-174.5	80.7	1.5	113.2	E125 M176 A178	R58-E125 IonicContact CZ-OE1 3.29Å; R58-E125 VanDerWaalsContact CZ-OE1 3.29Å; R58-E125 IonicContact CZ-OE2 3.65Å; R58-E125 IonicContact NH1-OE1 3.09Å; R58-E125 PolarHBondContact NH1-OE1 3.43Å; R58-E125 VanDerWaalsContact NH1-OE1 3.09Å; R58-E125 IonicContact NH1-OE2 2.75Å; R58-E125 PolarHBondContact NH1-OE2 3.22Å; R58-E125 IonicContact NH2-OE1 2.67Å; R58-E125 PolarHBondContact NH2-OE1 3.19Å; R58-E125 IonicContact NH2-OE2 3.63Å; R58-M176 PolarHBondContact N-O 3.47Å; R58-A178 HydrophobicContact CB-CB 4.23Å; R58-A178 HydrophobicContact CG-CB 4.22Å
59	Y	98.4	Very high	97.7	Very high	31 Å²	31	51.1 Å²	51.1	12%	0.122	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.9	177.3	-55	-95.3	0	0	0	109.4	E125 H127 M176	Y59-E125 HydrophobicContact CD1-CG 4.12Å; Y59-E125 HydrophobicContact CE1-CG 3.88Å; Y59-H127 HydrophobicContact CD1-CB 4.03Å; Y59-H127 HydrophobicContact CD2-CB 3.8Å; Y59-H127 HydrophobicContact CE1-CB 4.01Å; Y59-H127 HydrophobicContact CE2-CB 3.81Å; Y59-H127 AromaticContact CE2-CD2 3.42Å; Y59-H127 VanDerWaalsContact CE2-CD2 3.42Å; Y59-H127 WeakPolarHBondContact CE2-CD2 3.5Å; Y59-H127 AromaticContact CE2-CG 3.99Å; Y59-H127 HydrophobicContact CG-CB 3.92Å; Y59-H127 AromaticContact CZ-CD2 3.82Å; Y59-M176 PolarHBondContact N-O 3.02Å; Y59-M176 PolarHBondContact O-N 3.29Å
60	I	98.4	Very high	97.8	Very high	67 Å²	67	43.7 Å²	43.7	34%	0.344	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.1	177.6	-51.4	177.1	0	0	0	106.6	F53 V57 L173 I174 F175	F53-I60 HydrophobicContact CB-CD1 4.13Å; F53-I60 HydrophobicContact CD2-CD1 3.25Å; F53-I60 HydrophobicContact CE2-CD1 3.9Å; F53-I60 HydrophobicContact CG-CD1 3.94Å; V57-I60 HydrophobicContact CG1-CD1 3.96Å; V57-I60 HydrophobicContact CG1-CG1 3.59Å; I60-L173 HydrophobicContact CG2-CB 4.32Å; I60-L173 HydrophobicContact CG2-CD1 4.17Å; I60-L173 HydrophobicContact CG2-CD2 4.29Å; I60-L173 HydrophobicContact CG2-CG 4.49Å; I60-I174 WeakPolarHBondContact CA-O 3.25Å; I60-F175 HydrophobicContact CD1-CD1 4.31Å; I60-F175 HydrophobicContact CD1-CE1 4.24Å; I60-F175 HydrophobicContact CG1-CD1 3.97Å; I60-F175 HydrophobicContact CG1-CE1 4.29Å; I60-F175 HydrophobicContact CG2-CD1 4.17Å; I60-F175 HydrophobicContact CG2-CE1 3.98Å
61	Y	98.7	Very high	97.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.1	171.9	-48.4	-21.4	0	0	0	110.1	P123 E125 E126 H127 R130 I132 I174 M176	Y61-P123 HydrophobicContact CD1-CB 3.66Å; Y61-P123 HydrophobicContact CD1-CG 3.52Å; Y61-P123 HydrophobicContact CD2-CG 4.11Å; Y61-P123 HydrophobicContact CE1-CB 4.18Å; Y61-P123 HydrophobicContact CE1-CG 3.64Å; Y61-P123 HydrophobicContact CE2-CG 4.16Å; Y61-P123 HydrophobicContact CG-CB 4.04Å; Y61-P123 HydrophobicContact CG-CG 3.8Å; Y61-E125 WeakPolarHBondContact CE1-O 3.35Å; Y61-E126 VanDerWaalsContact OH-CA 3.28Å; Y61-E126 WeakPolarHBondContact OH-CA 3.22Å; Y61-H127 PolarHBondContact OH-N 3.48Å; Y61-R130 HydrophobicContact CE2-CB 4.4Å; Y61-R130 VanDerWaalsContact CE2-O 3.23Å; Y61-R130 WeakPolarHBondContact CE2-O 3.36Å; Y61-R130 PolarHBondContact OH-O 3.01Å; Y61-I132 HydrophobicContact CD2-CD1 3.9Å; Y61-I132 HydrophobicContact CD2-CG1 4.34Å; Y61-I132 HydrophobicContact CE2-CD1 3.85Å; Y61-I132 HydrophobicContact CE2-CG1 4.24Å; Y61-I174 HydrophobicContact CD2-CG2 4.1Å; Y61-I174 HydrophobicContact CG-CG2 4.12Å; Y61-I174 PolarHBondContact N-O 3.11Å; Y61-I174 PolarHBondContact O-N 3.01Å; Y61-M176 HydrophobicContact CD1-CE 3.75Å; Y61-M176 HydrophobicContact CD2-CE 3.63Å; Y61-M176 HydrophobicContact CE1-CE 3.51Å; Y61-M176 HydrophobicContact CE2-CE 3.45Å; Y61-M176 VanDerWaalsContact CE2-CE 3.45Å; Y61-M176 HydrophobicContact CE2-SD 4.32Å; Y61-M176 HydrophobicContact CG-CE 3.78Å
62	N	98.8	Very high	97.9	Very high	12 Å²	12	44 Å²	44	6%	0.064	24%	0.238	C	C	.	.			trans	-117.8	94.9	171.1	-169.3	-3	0	0	0	110.8	N45 L64 E65 Y66 L173	N45-N62 PolarHBondContact OD1-ND2 3.05Å; N62-L64 PolarHBondContact O-N 3.39Å; N62-L64 WeakPolarHBondContact OD1-CB 3.31Å; N62-L64 PolarHBondContact OD1-N 3.47Å; N62-L64 VanDerWaalsContact OD1-N 3.13Å; N62-E65 HydrophobicContact CB-CB 4.46Å; N62-E65 HydrophobicContact CB-CG 4.22Å; N62-E65 PolarHBondContact O-N 3.05Å; N62-Y66 WeakPolarHBondContact O-CD1 3.47Å; N62-Y66 WeakPolarHBondContact O-CE1 3.26Å; N62-Y66 PolarHBondContact O-N 2.96Å; N62-L173 HydrophobicContact CB-CD2 3.57Å
63	P	98.8	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-22	176.6	23.2	-33.3	0	0	0	113.5	E65 Y66 A67 P92 M97 P172	P63-E65 PolarHBondContact O-N 3.45Å; P63-Y66 VanDerWaalsContact CA-CE1 3.47Å; P63-Y66 VanDerWaalsContact CA-CZ 3.43Å; P63-Y66 HydrophobicContact CB-CE1 4.31Å; P63-Y66 HydrophobicContact CB-CE2 4.22Å; P63-Y66 VanDerWaalsContact N-CE1 3.33Å; P63-A67 HydrophobicContact CB-CB 4.3Å; P63-A67 CarbonylContact O-C 3.59Å; P63-A67 VanDerWaalsContact O-C 3.3Å; P63-A67 VanDerWaalsContact O-CA 3.24Å; P63-A67 WeakPolarHBondContact O-CA 3.33Å; P63-A67 VanDerWaalsContact O-CB 3.26Å; P63-A67 WeakPolarHBondContact O-CB 3.24Å; P63-A67 PolarHBondContact O-N 3.1Å; P63-P92 HydrophobicContact CG-CB 4.4Å; P63-P92 HydrophobicContact CG-CG 3.78Å; P63-M97 WeakPolarHBondContact CB-O 3.45Å; P63-M97 HydrophobicContact CG-CE 4.42Å; P63-M97 HydrophobicContact CG-CG 4.25Å; P63-P172 VanDerWaalsContact CD-O 3.23Å; P63-P172 WeakPolarHBondContact CD-O 3.49Å
64	L	98.8	Very high	98.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-73.8	-1.4	173.5	-57.1	-170.2	0	0	0	113.2	E41 N45 N62 H71 M97 P172	E41-L64 HydrophobicContact CB-CD1 4.09Å; E41-L64 HydrophobicContact CG-CD1 4.09Å; N45-L64 VanDerWaalsContact ND2-CB 3.29Å; N45-L64 WeakPolarHBondContact ND2-CB 3.49Å; N45-L64 PolarHBondContact ND2-O 3.35Å; N62-L64 PolarHBondContact O-N 3.39Å; N62-L64 WeakPolarHBondContact OD1-CB 3.31Å; N62-L64 PolarHBondContact OD1-N 3.47Å; N62-L64 VanDerWaalsContact OD1-N 3.13Å; L64-H71 HydrophobicContact CD2-CB 4.25Å; L64-H71 VanDerWaalsContact CD2-CG 3.48Å; L64-H71 WeakPolarHBondContact CD2-ND1 3.39Å; L64-M97 HydrophobicContact CD2-CE 3.71Å; L64-M97 HydrophobicContact CG-CE 4.38Å; L64-P172 HydrophobicContact CD1-CB 3.46Å; L64-P172 VanDerWaalsContact CD1-CB 3.46Å; L64-P172 HydrophobicContact CD1-CG 4.16Å; L64-P172 HydrophobicContact CG-CB 3.72Å
65	E	98.5	Very high	98.3	Very high	91 Å²	91	36.8 Å²	36.8	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-104.3	-57.1	168.9	-67.4	-178	155.4	0	0	110.9	R49 N62 P63	R49-E65 IonicContact CZ-OE1 2.83Å; R49-E65 IonicContact NH1-OE1 2.83Å; R49-E65 PolarHBondContact NH1-OE1 3.06Å; N62-E65 HydrophobicContact CB-CB 4.46Å; N62-E65 HydrophobicContact CB-CG 4.22Å; N62-E65 PolarHBondContact O-N 3.05Å; P63-E65 PolarHBondContact O-N 3.45Å
66	Y	98.8	Very high	98.5	Very high	24 Å²	24	37.4 Å²	37.4	9%	0.094	18%	0.176	C	C	.	.	H	α-helix	trans	-86.1	-18.6	-174.3	65.7	-98.9	0	0	0	114.7	N62 P63 A98 V120 G121 P123 I132	N62-Y66 WeakPolarHBondContact O-CD1 3.47Å; N62-Y66 WeakPolarHBondContact O-CE1 3.26Å; N62-Y66 PolarHBondContact O-N 2.96Å; P63-Y66 VanDerWaalsContact CA-CE1 3.47Å; P63-Y66 VanDerWaalsContact CA-CZ 3.43Å; P63-Y66 HydrophobicContact CB-CE1 4.31Å; P63-Y66 HydrophobicContact CB-CE2 4.22Å; P63-Y66 VanDerWaalsContact N-CE1 3.33Å; Y66-A98 VanDerWaalsContact CE2-O 3.23Å; Y66-A98 WeakPolarHBondContact CE2-O 3.38Å; Y66-A98 WeakPolarHBondContact OH-CA 3.25Å; Y66-A98 PolarHBondContact OH-O 3.38Å; Y66-V120 HydrophobicContact CD2-CG1 4Å; Y66-V120 HydrophobicContact CE2-CG1 4.3Å; Y66-G121 WeakPolarHBondContact O-CA 3.24Å; Y66-G121 PolarHBondContact O-N 3.31Å; Y66-P123 HydrophobicContact CD1-CB 4.14Å; Y66-P123 HydrophobicContact CE1-CB 4.27Å; Y66-I132 HydrophobicContact CD2-CG2 4.1Å; Y66-I132 HydrophobicContact CE2-CB 4.47Å; Y66-I132 HydrophobicContact CE2-CD1 4.39Å; Y66-I132 HydrophobicContact CE2-CG1 3.98Å; Y66-I132 HydrophobicContact CE2-CG2 3.75Å
67	A	98.8	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	31	175.5	0	0	0	0	0	110.8	P63 D69 T70 H71 V120	P63-A67 HydrophobicContact CB-CB 4.3Å; P63-A67 CarbonylContact O-C 3.59Å; P63-A67 VanDerWaalsContact O-C 3.3Å; P63-A67 VanDerWaalsContact O-CA 3.24Å; P63-A67 WeakPolarHBondContact O-CA 3.33Å; P63-A67 VanDerWaalsContact O-CB 3.26Å; P63-A67 WeakPolarHBondContact O-CB 3.24Å; P63-A67 PolarHBondContact O-N 3.1Å; A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 2.79Å; A67-T70 PolarHBondContact O-OG1 3.44Å; A67-H71 WeakPolarHBondContact O-CB 3.35Å; A67-H71 PolarHBondContact O-N 2.87Å; A67-V120 HydrophobicContact CB-CG1 3.85Å; A67-V120 HydrophobicContact CB-CG2 4.27Å
68	W	98.8	Very high	98.7	Very high	46 Å²	46	37 Å²	37	17%	0.174	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-39.5	-175.7	-179.6	-106.2	0	0	0	112.4	L38 Q42 T70 H71 R72	L38-W68 HydrophobicContact CB-CH2 4.1Å; L38-W68 HydrophobicContact CB-CZ2 4.43Å; L38-W68 HydrophobicContact CD2-CH2 3.52Å; L38-W68 HydrophobicContact CD2-CZ2 3.93Å; L38-W68 HydrophobicContact CD2-CZ3 4.19Å; L38-W68 HydrophobicContact CG-CH2 4.36Å; Q42-W68 HydrophobicContact CG-CH2 3.71Å; Q42-W68 HydrophobicContact CG-CZ2 4.12Å; Q42-W68 HydrophobicContact CG-CZ3 4.36Å; W68-T70 PolarHBondContact O-N 3.04Å; W68-H71 PolarHBondContact O-N 3.06Å; W68-R72 WeakPolarHBondContact O-CB 3.42Å; W68-R72 PolarHBondContact O-N 3.04Å
69	D	98.8	Very high	98.7	Very high	83 Å²	83	31.8 Å²	31.8	44%	0.444	15%	0.146	S	C	.	.	H	α-helix	trans	-63.8	-46.2	-176.5	-68.2	-8.4	0	0	0	112.1	A67 C73	A67-D69 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 2.79Å; D69-C73 VanDerWaalsContact O-CB 3.3Å; D69-C73 WeakPolarHBondContact O-CB 3.49Å; D69-C73 PolarHBondContact O-N 2.73Å
70	T	98.9	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.3	-37.3	176	55.4	0	0	0	0	111.8	A67 W68 C73 Y74 T100 I116 V120 L135	A67-T70 PolarHBondContact O-OG1 3.44Å; W68-T70 PolarHBondContact O-N 3.04Å; T70-C73 PolarHBondContact O-N 2.95Å; T70-Y74 PolarHBondContact O-N 2.9Å; T70-T100 VanDerWaalsContact CB-O 3.22Å; T70-T100 WeakPolarHBondContact CB-O 3.1Å; T70-T100 PolarHBondContact OG1-O 3.37Å; T70-I116 VanDerWaalsContact O-CG2 3.22Å; T70-I116 WeakPolarHBondContact O-CG2 3.41Å; T70-V120 HydrophobicContact CG2-CG2 3.72Å; T70-L135 HydrophobicContact CG2-CD1 4.08Å; T70-L135 HydrophobicContact CG2-CD2 4.42Å; T70-L135 HydrophobicContact CG2-CG 4.34Å
71	H	98.9	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-47.9	176	-175.5	75.8	0	0	0	112	E41 L64 A67 W68 C73 Y74 V75 G101	E41-H71 VanDerWaalsContact CD-NE2 3.3Å; E41-H71 IonicContact OE1-CE1 2.85Å; E41-H71 PolarHBondContact OE1-CE1 3.03Å; E41-H71 IonicContact OE1-NE2 3.46Å; E41-H71 PolarHBondContact OE1-NE2 2.58Å; E41-H71 VanDerWaalsContact OE1-NE2 3.11Å; E41-H71 IonicContact OE2-CD2 2.83Å; E41-H71 IonicContact OE2-CE1 3.23Å; E41-H71 IonicContact OE2-NE2 3.57Å; E41-H71 PolarHBondContact OE2-NE2 3.39Å; L64-H71 HydrophobicContact CD2-CB 4.25Å; L64-H71 VanDerWaalsContact CD2-CG 3.48Å; L64-H71 WeakPolarHBondContact CD2-ND1 3.39Å; A67-H71 WeakPolarHBondContact O-CB 3.35Å; A67-H71 PolarHBondContact O-N 2.87Å; W68-H71 PolarHBondContact O-N 3.06Å; H71-C73 VanDerWaalsContact C-N 3.34Å; H71-C73 PolarHBondContact O-N 2.99Å; H71-Y74 WeakPolarHBondContact O-CA 3.39Å; H71-Y74 VanDerWaalsContact O-CB 3.31Å; H71-Y74 WeakPolarHBondContact O-CB 3.5Å; H71-Y74 PolarHBondContact O-N 3.49Å; H71-Y74 VanDerWaalsContact O-N 3.1Å; H71-V75 VanDerWaalsContact NE2-CG2 3.34Å; H71-V75 WeakPolarHBondContact NE2-CG2 3.36Å; H71-V75 WeakPolarHBondContact O-CG2 3.45Å; H71-V75 PolarHBondContact O-N 3.5Å; H71-G101 PolarHBondContact ND1-O 3.48Å
72	R	98.8	Very high	98.2	Very high	115 Å²	115	37.9 Å²	37.9	43%	0.434	20%	0.196	S	C	.	.	H	α-helix	trans	-60	-44.3	175.8	179.7	-178.8	172.8	-174	-2	111	L38 W68 Y74 V75 E76	L38-R72 HydrophobicContact CD1-CG 4.11Å; W68-R72 WeakPolarHBondContact O-CB 3.42Å; W68-R72 PolarHBondContact O-N 3.04Å; R72-Y74 VanDerWaalsContact C-N 3.28Å; R72-Y74 PolarHBondContact O-N 3.25Å; R72-V75 PolarHBondContact O-N 2.98Å; R72-E76 HydrophobicContact CG-CG 4.09Å; R72-E76 IonicContact CZ-OE1 2.58Å; R72-E76 VanDerWaalsContact CZ-OE1 3.23Å; R72-E76 VanDerWaalsContact NE-CD 3.33Å; R72-E76 IonicContact NE-OE1 2.73Å; R72-E76 PolarHBondContact NE-OE1 2.9Å; R72-E76 IonicContact NE-OE2 3.5Å; R72-E76 IonicContact NH2-OE1 3.73Å; R72-E76 PolarHBondContact NH2-OE1 3.04Å; R72-E76 WeakPolarHBondContact O-CB 3.36Å; R72-E76 WeakPolarHBondContact O-CG 3.23Å; R72-E76 PolarHBondContact O-N 3.43Å
73	C	98.9	Very high	98.1	Very high	35 Å²	35	37.8 Å²	37.8	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-55	-44.6	173.2	178.9	0	0	0	0	111.4	D69 T70 H71 K77 I116	D69-C73 VanDerWaalsContact O-CB 3.3Å; D69-C73 WeakPolarHBondContact O-CB 3.49Å; D69-C73 PolarHBondContact O-N 2.73Å; T70-C73 PolarHBondContact O-N 2.95Å; H71-C73 VanDerWaalsContact C-N 3.34Å; H71-C73 PolarHBondContact O-N 2.99Å; C73-K77 WeakPolarHBondContact O-CB 3.22Å; C73-K77 PolarHBondContact O-N 2.84Å; C73-I116 HydrophobicContact CB-CG2 4.1Å
74	Y	98.9	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-48.9	175.3	165.3	-101.6	0	0	0	113.1	T70 H71 R72 Y78 V102 P103 F162 F166 V167	T70-Y74 PolarHBondContact O-N 2.9Å; H71-Y74 WeakPolarHBondContact O-CA 3.39Å; H71-Y74 VanDerWaalsContact O-CB 3.31Å; H71-Y74 WeakPolarHBondContact O-CB 3.5Å; H71-Y74 PolarHBondContact O-N 3.49Å; H71-Y74 VanDerWaalsContact O-N 3.1Å; R72-Y74 VanDerWaalsContact C-N 3.28Å; R72-Y74 PolarHBondContact O-N 3.25Å; Y74-Y78 AromaticContact CD2-CD2 3.79Å; Y74-Y78 HydrophobicContact CD2-CD2 3.79Å; Y74-Y78 HydrophobicContact CE2-CD2 4.02Å; Y74-Y78 WeakPolarHBondContact O-CB 3.27Å; Y74-Y78 PolarHBondContact O-N 2.78Å; Y74-V102 HydrophobicContact CD2-CG1 3.79Å; Y74-V102 HydrophobicContact CD2-CG2 4.4Å; Y74-V102 HydrophobicContact CE2-CG1 4Å; Y74-V102 HydrophobicContact CG-CG1 4.09Å; Y74-V102 HydrophobicContact CG-CG2 4.16Å; Y74-P103 HydrophobicContact CE1-CG 4.37Å; Y74-F162 AromaticContact CE2-CE1 3.89Å; Y74-F162 HydrophobicContact CE2-CE1 3.89Å; Y74-F162 AromaticContact CE2-CZ 3.69Å; Y74-F162 HydrophobicContact CE2-CZ 3.69Å; Y74-F166 HydrophobicContact CD1-CZ 4.17Å; Y74-F166 HydrophobicContact CE1-CE1 4.03Å; Y74-F166 AromaticContact CE1-CE2 3.96Å; Y74-F166 HydrophobicContact CE1-CE2 3.96Å; Y74-F166 AromaticContact CE1-CZ 3.41Å; Y74-F166 HydrophobicContact CE1-CZ 3.41Å; Y74-F166 VanDerWaalsContact CE1-CZ 3.41Å; Y74-F166 AromaticContact CZ-CE2 3.82Å; Y74-F166 AromaticContact CZ-CZ 3.75Å; Y74-V167 PolarHBondContact OH-N 2.96Å; Y74-V167 PolarHBondContact OH-O 2.97Å; Y74-V167 VanDerWaalsContact OH-O 3.07Å
75	V	98.9	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-48.4	-177.9	178.5	0	0	0	0	111.1	F37 L38 H71 R72 K77 Y78 C79 F166	F37-V75 HydrophobicContact CB-CG1 4.36Å; F37-V75 HydrophobicContact CD1-CG1 3.69Å; F37-V75 HydrophobicContact CD1-CG2 3.97Å; F37-V75 HydrophobicContact CE1-CG1 4.32Å; F37-V75 HydrophobicContact CE1-CG2 3.82Å; F37-V75 HydrophobicContact CG-CG1 4.25Å; L38-V75 HydrophobicContact CD1-CG1 4.28Å; L38-V75 HydrophobicContact CD2-CB 3.82Å; L38-V75 HydrophobicContact CD2-CG1 3.9Å; L38-V75 HydrophobicContact CD2-CG2 3.92Å; L38-V75 HydrophobicContact CG-CB 4.19Å; L38-V75 HydrophobicContact CG-CG1 3.77Å; H71-V75 VanDerWaalsContact NE2-CG2 3.34Å; H71-V75 WeakPolarHBondContact NE2-CG2 3.36Å; H71-V75 WeakPolarHBondContact O-CG2 3.45Å; H71-V75 PolarHBondContact O-N 3.5Å; R72-V75 PolarHBondContact O-N 2.98Å; V75-K77 VanDerWaalsContact C-N 3.27Å; V75-K77 PolarHBondContact O-N 3.32Å; V75-Y78 PolarHBondContact O-N 3.46Å; V75-C79 HydrophobicContact CB-CB 4.49Å; V75-C79 HydrophobicContact CG1-CB 3.6Å; V75-C79 WeakPolarHBondContact O-CA 3.44Å; V75-C79 WeakPolarHBondContact O-CB 3.39Å; V75-C79 PolarHBondContact O-N 2.89Å; V75-F166 HydrophobicContact CG2-CZ 4.33Å
76	E	98.3	Very high	98.1	Very high	79 Å²	79	35.2 Å²	35.2	37%	0.369	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-37.2	179.1	-71.6	179.3	158.6	0	0	111.7	L38 R72 Q80	L38-E76 HydrophobicContact CD1-CG 4.22Å; R72-E76 HydrophobicContact CG-CG 4.09Å; R72-E76 IonicContact CZ-OE1 2.58Å; R72-E76 VanDerWaalsContact CZ-OE1 3.23Å; R72-E76 VanDerWaalsContact NE-CD 3.33Å; R72-E76 IonicContact NE-OE1 2.73Å; R72-E76 PolarHBondContact NE-OE1 2.9Å; R72-E76 IonicContact NE-OE2 3.5Å; R72-E76 IonicContact NH2-OE1 3.73Å; R72-E76 PolarHBondContact NH2-OE1 3.04Å; R72-E76 WeakPolarHBondContact O-CB 3.36Å; R72-E76 WeakPolarHBondContact O-CG 3.23Å; R72-E76 PolarHBondContact O-N 3.43Å; E76-Q80 PolarHBondContact O-NE2 3.27Å
77	K	98.6	Very high	98.1	Very high	73 Å²	73	34.2 Å²	34.2	32%	0.317	18%	0.182	S	C	.	.	H	α-helix	trans	-69.9	-42.7	178.4	-171.4	174.8	-177.2	-169.6	0	112.9	C73 V75 L114 K115 I116	C73-K77 WeakPolarHBondContact O-CB 3.22Å; C73-K77 PolarHBondContact O-N 2.84Å; V75-K77 VanDerWaalsContact C-N 3.27Å; V75-K77 PolarHBondContact O-N 3.32Å; K77-L114 PolarHBondContact NZ-O 3.39Å; K77-K115 PolarHBondContact NZ-O 2.94Å; K77-I116 HydrophobicContact CD-CD1 3.97Å
78	Y	98.8	Very high	98.1	Very high	6 Å²	6	34.2 Å²	34.2	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-114.7	-18.1	-165.6	-67.6	-53.5	0	0	0	115.5	Y74 V75 Q80 K83 L114 I116 P158 F162	Y74-Y78 AromaticContact CD2-CD2 3.79Å; Y74-Y78 HydrophobicContact CD2-CD2 3.79Å; Y74-Y78 HydrophobicContact CE2-CD2 4.02Å; Y74-Y78 WeakPolarHBondContact O-CB 3.27Å; Y74-Y78 PolarHBondContact O-N 2.78Å; V75-Y78 PolarHBondContact O-N 3.46Å; Y78-Q80 PolarHBondContact O-N 3.27Å; Y78-K83 WeakPolarHBondContact O-CE 3.26Å; Y78-K83 PolarHBondContact O-NZ 3.46Å; Y78-L114 HydrophobicContact CE2-CB 4.2Å; Y78-L114 HydrophobicContact CE2-CD2 4.26Å; Y78-L114 PolarHBondContact OH-O 2.98Å; Y78-I116 HydrophobicContact CD2-CD1 4.34Å; Y78-I116 HydrophobicContact CE2-CD1 3.9Å; Y78-P158 HydrophobicContact CE1-CB 4.06Å; Y78-P158 HydrophobicContact CE1-CG 4.32Å; Y78-P158 WeakPolarHBondContact OH-CB 3.08Å; Y78-P158 WeakPolarHBondContact OH-CG 2.96Å; Y78-F162 HydrophobicContact CD1-CB 3.7Å; Y78-F162 HydrophobicContact CD1-CD1 4.32Å; Y78-F162 AromaticContact CD1-CD2 3.18Å; Y78-F162 HydrophobicContact CD1-CD2 3.18Å; Y78-F162 AromaticContact CD1-CE2 3.86Å; Y78-F162 HydrophobicContact CD1-CE2 3.86Å; Y78-F162 AromaticContact CD1-CG 3.47Å; Y78-F162 HydrophobicContact CD1-CG 3.47Å; Y78-F162 VanDerWaalsContact CD1-CG 3.47Å; Y78-F162 AromaticContact CD2-CD2 3.96Å; Y78-F162 HydrophobicContact CD2-CD2 3.96Å; Y78-F162 HydrophobicContact CD2-CE1 4.5Å; Y78-F162 AromaticContact CD2-CE2 3.76Å; Y78-F162 HydrophobicContact CD2-CE2 3.76Å; Y78-F162 HydrophobicContact CD2-CG 4.45Å; Y78-F162 HydrophobicContact CD2-CZ 4.03Å; Y78-F162 AromaticContact CE1-CD2 3.53Å; Y78-F162 HydrophobicContact CE1-CD2 3.53Å; Y78-F162 HydrophobicContact CE1-CE2 4.06Å; Y78-F162 HydrophobicContact CE1-CG 4.25Å; Y78-F162 HydrophobicContact CE2-CD2 4.23Å; Y78-F162 AromaticContact CE2-CE2 3.94Å; Y78-F162 HydrophobicContact CE2-CE2 3.94Å; Y78-F162 HydrophobicContact CG-CB 4.19Å; Y78-F162 AromaticContact CG-CD1 3.98Å; Y78-F162 HydrophobicContact CG-CD1 3.98Å; Y78-F162 AromaticContact CG-CD2 3.43Å; Y78-F162 HydrophobicContact CG-CD2 3.43Å; Y78-F162 VanDerWaalsContact CG-CD2 3.43Å; Y78-F162 HydrophobicContact CG-CE1 4.19Å; Y78-F162 AromaticContact CG-CE2 3.71Å; Y78-F162 HydrophobicContact CG-CE2 3.71Å; Y78-F162 AromaticContact CG-CG 3.59Å; Y78-F162 HydrophobicContact CG-CG 3.59Å; Y78-F162 HydrophobicContact CG-CZ 4.07Å
79	C	98	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.			trans	-83.6	57.1	176.4	-165.8	0	0	0	0	111.8	S34 V75 F166 L211	S34-C79 WeakPolarHBondContact CB-O 3.49Å; S34-C79 PolarHBondContact N-O 2.95Å; V75-C79 HydrophobicContact CB-CB 4.49Å; V75-C79 HydrophobicContact CG1-CB 3.6Å; V75-C79 WeakPolarHBondContact O-CA 3.44Å; V75-C79 WeakPolarHBondContact O-CB 3.39Å; V75-C79 PolarHBondContact O-N 2.89Å; C79-F166 HydrophobicContact CB-CD2 4.4Å; C79-F166 HydrophobicContact CB-CE1 4.33Å; C79-F166 HydrophobicContact CB-CE2 3.77Å; C79-F166 HydrophobicContact CB-CZ 3.73Å; C79-L211 WeakPolarHBondContact SG-CD2 3.29Å
80	Q	96	Very high	98.1	Very high	87 Å²	87	29.6 Å²	29.6	41%	0.407	16%	0.16	S	C	.	.			trans	-89.7	159.4	175.6	-60.8	-58.6	-36.8	0	0	111.4	E76 Y78 K83	E76-Q80 PolarHBondContact O-NE2 3.27Å; Y78-Q80 PolarHBondContact O-N 3.27Å; Q80-K83 WeakPolarHBondContact O-CE 3.35Å; Q80-K83 PolarHBondContact O-NZ 3.07Å
81	P	94.9	Very high	98.1	Very high	90 Å²	90	30.5 Å²	30.5	58%	0.584	17%	0.165	S	C	*	.	S	Bend	trans	-52.1	157	175.1	-25.3	33.4	0	0	0	114	P33	P33-P81 HydrophobicContact CG-CB 4.41Å; P33-P81 HydrophobicContact CG-CG 3.94Å
82	G	94.3	Very high	98.1	Very high	50 Å²	50	30.6 Å²	30.6	52%	0.515	17%	0.165	S	C	.	.			trans	93.9	12.9	175	0	0	0	0	0	115.7
83	K	97.6	Very high	98	Very high	10 Å²	10	26 Å²	26	4%	0.043	15%	0.153	C	C	.	.			trans	-65.7	143.3	173.1	-55.7	-60.1	-177.6	-94.2	0	110	Y78 Q80 F162 C165 F166 L211 V213	Y78-K83 WeakPolarHBondContact O-CE 3.26Å; Y78-K83 PolarHBondContact O-NZ 3.46Å; Q80-K83 WeakPolarHBondContact O-CE 3.35Å; Q80-K83 PolarHBondContact O-NZ 3.07Å; K83-F162 WeakPolarHBondContact CE-O 3.06Å; K83-F162 PolarHBondContact NZ-O 3.11Å; K83-C165 WeakPolarHBondContact CD-O 3.42Å; K83-F166 HydrophobicContact CD-CB 4.15Å; K83-F166 HydrophobicContact CG-CB 4.46Å; K83-L211 HydrophobicContact CB-CB 4.46Å; K83-L211 HydrophobicContact CG-CD2 4.22Å; K83-V213 HydrophobicContact CB-CG1 3.78Å
84	T	97.9	Very high	97.9	Very high	39 Å²	39	25.7 Å²	25.7	24%	0.239	15%	0.151	C	C	.	.			trans	-128.9	-29.1	179.4	57.6	0	0	0	0	111.4	H164 S214 M215	T84-H164 PolarHBondContact N-O 3.12Å; T84-H164 PolarHBondContact OG1-O 3.26Å; T84-S214 PolarHBondContact O-N 3.43Å; T84-S214 PolarHBondContact O-OG 3.26Å; T84-M215 PolarHBondContact O-N 3.48Å
85	V	98.8	Very high	97.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127	-178.2	-176.6	0	0	0	0	110.5	F87 H164 C165 F166 M215 I217 V271 L274	V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE2 3.93Å; V85-F87 HydrophobicContact CG1-CZ 4.31Å; V85-H164 PolarHBondContact N-O 2.98Å; V85-C165 CarbonylContact O-C 3.55Å; V85-C165 VanDerWaalsContact O-CA 3.26Å; V85-C165 WeakPolarHBondContact O-CA 3.42Å; V85-F166 PolarHBondContact O-N 3.28Å; V85-M215 CarbonylContact C-O 3.57Å; V85-M215 WeakPolarHBondContact CA-O 3.46Å; V85-M215 HydrophobicContact CG2-CB 4.38Å; V85-I217 HydrophobicContact CG1-CD1 3.52Å; V85-I217 HydrophobicContact CG1-CG1 3.87Å; V85-V271 HydrophobicContact CG2-CG1 4.49Å; V85-V271 HydrophobicContact CG2-CG2 4.35Å; V85-L274 HydrophobicContact CG2-CD1 3.93Å
86	L	98.9	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.6	167.3	175.6	61.3	0	0	0	110.1	F166 H168 L204 V207 V208 L211 V213 M215 V216 I217	L86-F166 HydrophobicContact CD1-CB 4.38Å; L86-F166 HydrophobicContact CD1-CD1 4.44Å; L86-H168 HydrophobicContact CD1-CB 3.88Å; L86-L204 HydrophobicContact CD2-CD1 4.15Å; L86-V207 HydrophobicContact CD2-CG1 4.07Å; L86-V208 HydrophobicContact CD2-CG2 4.08Å; L86-L211 HydrophobicContact CB-CD1 4.47Å; L86-L211 HydrophobicContact CD1-CD1 3.82Å; L86-L211 HydrophobicContact CD2-CD1 4.15Å; L86-L211 HydrophobicContact CG-CD1 4.37Å; L86-V213 HydrophobicContact CB-CG1 4.3Å; L86-V213 HydrophobicContact CB-CG2 4.1Å; L86-M215 PolarHBondContact N-O 2.74Å; L86-V216 HydrophobicContact CB-CG2 4.3Å; L86-V216 HydrophobicContact CD2-CG2 4.38Å; L86-V216 CarbonylContact O-C 3.3Å; L86-V216 WeakPolarHBondContact O-CA 3.16Å; L86-I217 PolarHBondContact O-N 3.07Å
87	F	98.9	Very high	97.9	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.4	165.3	-69.6	-89.5	0	0	0	109.6	V85 F147 F151 F161 C165 F166 V167 H168 I217 V219 L266 V271	V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE2 3.93Å; V85-F87 HydrophobicContact CG1-CZ 4.31Å; F87-F147 HydrophobicContact CB-CZ 4.14Å; F87-F147 HydrophobicContact CD1-CE2 4.35Å; F87-F147 HydrophobicContact CD1-CZ 4.45Å; F87-F147 HydrophobicContact CG-CZ 4.22Å; F87-F151 AromaticContact CE1-CZ 3.93Å; F87-F151 HydrophobicContact CE1-CZ 3.93Å; F87-F151 HydrophobicContact CE2-CZ 4.11Å; F87-F151 HydrophobicContact CZ-CE1 4.2Å; F87-F151 AromaticContact CZ-CZ 3.65Å; F87-F151 HydrophobicContact CZ-CZ 3.65Å; F87-F161 HydrophobicContact CD2-CE2 4.13Å; F87-F161 AromaticContact CD2-CZ 3.79Å; F87-F161 HydrophobicContact CD2-CZ 3.79Å; F87-F161 AromaticContact CE2-CE2 3.77Å; F87-F161 HydrophobicContact CE2-CE2 3.77Å; F87-F161 AromaticContact CE2-CZ 3.9Å; F87-F161 HydrophobicContact CE2-CZ 3.9Å; F87-C165 HydrophobicContact CD2-CB 4.25Å; F87-C165 HydrophobicContact CE2-CB 3.97Å; F87-F166 PolarHBondContact N-O 3.5Å; F87-V167 HydrophobicContact CB-CB 4.48Å; F87-V167 HydrophobicContact CB-CG1 4.17Å; F87-V167 HydrophobicContact CB-CG2 4.15Å; F87-V167 WeakPolarHBondContact O-CA 3.3Å; F87-H168 PolarHBondContact O-N 2.88Å; F87-I217 WeakPolarHBondContact CA-O 3Å; F87-I217 HydrophobicContact CD1-CB 4.04Å; F87-I217 HydrophobicContact CD1-CG2 4.08Å; F87-I217 HydrophobicContact CE1-CB 4.22Å; F87-I217 HydrophobicContact CE1-CD1 3.96Å; F87-I217 HydrophobicContact CE1-CG2 4.1Å; F87-I217 HydrophobicContact CZ-CD1 4.12Å; F87-V219 HydrophobicContact CB-CG2 4.38Å; F87-V219 HydrophobicContact CD1-CG2 4.26Å; F87-L266 HydrophobicContact CE1-CD2 3.92Å; F87-L266 HydrophobicContact CZ-CD2 3.94Å; F87-V271 HydrophobicContact CZ-CG1 4.43Å
88	L	98.9	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.5	-175.9	-169.5	70.5	0	0	0	110.8	H168 L170 L204 V216 I217 V219 A223 A227	L88-H168 CarbonylContact C-O 3.53Å; L88-H168 WeakPolarHBondContact CA-O 3.33Å; L88-H168 HydrophobicContact CD1-CB 4.35Å; L88-L170 HydrophobicContact CD1-CB 4.4Å; L88-L170 HydrophobicContact CD2-CB 4.28Å; L88-L170 HydrophobicContact CG-CB 4.36Å; L88-L204 HydrophobicContact CD1-CD1 3.85Å; L88-L204 HydrophobicContact CD2-CD1 3.93Å; L88-L204 HydrophobicContact CD2-CD2 3.72Å; L88-V216 HydrophobicContact CB-CG1 4.06Å; L88-V216 HydrophobicContact CD2-CG1 4.36Å; L88-I217 PolarHBondContact N-O 3.04Å; L88-V219 PolarHBondContact O-N 2.91Å; L88-A223 HydrophobicContact CD2-CB 4.47Å; L88-A223 HydrophobicContact CG-CB 4.37Å; L88-A223 WeakPolarHBondContact O-CB 3.35Å; L88-A227 HydrophobicContact CD2-CB 3.87Å
89	G	98.7	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	172.7	167	0	0	0	0	0	112.2	H168 N169 L170	G89-H168 PolarHBondContact N-O 3.45Å; G89-N169 WeakPolarHBondContact CA-OD1 3.14Å; G89-N169 WeakPolarHBondContact O-CA 3.37Å; G89-L170 PolarHBondContact O-N 2.92Å
90	M	98.1	Very high	97.9	Very high	32 Å²	32	20.1 Å²	20.1	16%	0.158	13%	0.126	C	C	.	.	S	Bend	trans	-80.6	-63.1	-179.8	179.5	174.1	67.9	0	0	111.7	N169 C171 T184 P185 P186 V222	M90-N169 PolarHBondContact N-OD1 2.93Å; M90-C171 PolarHBondContact O-N 3.37Å; M90-T184 HydrophobicContact CE-CG2 3.53Å; M90-P185 HydrophobicContact CG-CG 4.08Å; M90-P185 HydrophobicContact SD-CG 4.29Å; M90-P186 HydrophobicContact SD-CG 4.48Å; M90-V222 HydrophobicContact CG-CB 4.43Å; M90-V222 HydrophobicContact CG-CG1 4.03Å; M90-V222 HydrophobicContact SD-CB 3.84Å; M90-V222 HydrophobicContact SD-CG1 3.71Å; M90-V222 HydrophobicContact SD-CG2 4.02Å
91	N	98.4	Very high	98.1	Very high	19 Å²	19	16 Å²	16	10%	0.102	11%	0.107	C	C	.	.	S	Bend	trans	-161.9	166.5	-179.3	79.6	-67	0	0	0	110.3	C171 L173 P185	N91-C171 WeakPolarHBondContact CA-O 3.37Å; N91-C171 HydrophobicContact CB-CB 4.09Å; N91-C171 WeakPolarHBondContact CB-O 3.48Å; N91-L173 WeakPolarHBondContact CB-O 3.25Å; N91-L173 PolarHBondContact ND2-O 3.48Å; N91-P185 HydrophobicContact CB-CG 4.5Å; N91-P185 WeakPolarHBondContact OD1-CD 3.34Å
92	P	98.6	Very high	98.3	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.013	8%	0.079	C	C	.	.			trans	-54.4	139.6	179.6	-27.8	33.4	0	0	0	113.8	P63 M97 A98 C171 P172 I174	P63-P92 HydrophobicContact CG-CB 4.4Å; P63-P92 HydrophobicContact CG-CG 3.78Å; P92-M97 HydrophobicContact CB-CB 3.85Å; P92-M97 HydrophobicContact CB-CG 4.2Å; P92-M97 HydrophobicContact CB-SD 4.46Å; P92-M97 HydrophobicContact CG-CB 4.23Å; P92-M97 HydrophobicContact CG-CG 4.05Å; P92-M97 HydrophobicContact CG-SD 3.84Å; P92-A98 HydrophobicContact CB-CB 4.5Å; P92-C171 VanDerWaalsContact CD-O 3.24Å; P92-C171 WeakPolarHBondContact CD-O 3.38Å; P92-P172 WeakPolarHBondContact CG-O 3.37Å; P92-I174 HydrophobicContact CB-CB 4.27Å
93	G	97.4	Very high	98.5	Very high	18 Å²	18	9.3 Å²	9.3	19%	0.186	5%	0.054	C	C	.	.			trans	-88.2	159.1	159.5	0	0	0	0	0	111.8	F95 A98 E141	G93-F95 VanDerWaalsContact C-N 3.29Å; G93-F95 PolarHBondContact O-N 3.2Å; G93-A98 VanDerWaalsContact O-CB 3.25Å; G93-A98 WeakPolarHBondContact O-CB 3.34Å; G93-A98 PolarHBondContact O-N 3.39Å; G93-E141 WeakPolarHBondContact CA-OE2 3.15Å
94	P	97.1	Very high	98.5	Very high	29 Å²	29	9.3 Å²	9.3	19%	0.188	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.2	-168	28.2	-36.3	0	0	0	114.7	Q99 I174	P94-Q99 PolarHBondContact O-NE2 3.44Å; P94-I174 HydrophobicContact CB-CD1 3.95Å
95	F	98.1	Very high	98.6	Very high	37 Å²	37	7.5 Å²	7.5	16%	0.162	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	2	-177.2	-52	-53.3	0	0	0	112.8	G93 Q139 E141	G93-F95 VanDerWaalsContact C-N 3.29Å; G93-F95 PolarHBondContact O-N 3.2Å; F95-Q139 HydrophobicContact CB-CB 4.15Å; F95-Q139 HydrophobicContact CD1-CB 3.94Å; F95-Q139 HydrophobicContact CD2-CB 4.28Å; F95-Q139 HydrophobicContact CE1-CB 4.45Å; F95-Q139 VanDerWaalsContact CE1-CD 3.5Å; F95-Q139 HydrophobicContact CG-CB 3.86Å; F95-E141 HydrophobicContact CB-CB 4.18Å; F95-E141 PolarHBondContact N-OE2 3.02Å
96	G	98.6	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-109.2	172.9	0	0	0	0	0	110.5	A98 Q99 T100 G105 E141	G96-A98 PolarHBondContact O-N 3.17Å; G96-A98 VanDerWaalsContact O-N 3.12Å; G96-Q99 WeakPolarHBondContact O-CA 3.48Å; G96-Q99 WeakPolarHBondContact O-CB 3.47Å; G96-Q99 PolarHBondContact O-N 3.37Å; G96-T100 PolarHBondContact O-N 3.4Å; G96-T100 VanDerWaalsContact O-N 3.09Å; G96-T100 PolarHBondContact O-OG1 2.75Å; G96-G105 CarbonylContact C-O 3.36Å; G96-G105 WeakPolarHBondContact CA-O 3.44Å; G96-E141 VanDerWaalsContact CA-CD 3.49Å; G96-E141 WeakPolarHBondContact CA-OE2 3.39Å; G96-E141 VanDerWaalsContact N-CD 3.32Å; G96-E141 PolarHBondContact N-OE2 3.17Å
97	M	98.9	Very high	98.6	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-57.2	-30.8	-175.5	-173.8	173.5	178.3	0	0	113.9	P63 L64 P92 Q99 T100 G101 V102 P103 N169	P63-M97 WeakPolarHBondContact CB-O 3.45Å; P63-M97 HydrophobicContact CG-CE 4.42Å; P63-M97 HydrophobicContact CG-CG 4.25Å; L64-M97 HydrophobicContact CD2-CE 3.71Å; L64-M97 HydrophobicContact CG-CE 4.38Å; P92-M97 HydrophobicContact CB-CB 3.85Å; P92-M97 HydrophobicContact CB-CG 4.2Å; P92-M97 HydrophobicContact CB-SD 4.46Å; P92-M97 HydrophobicContact CG-CB 4.23Å; P92-M97 HydrophobicContact CG-CG 4.05Å; P92-M97 HydrophobicContact CG-SD 3.84Å; M97-Q99 PolarHBondContact O-N 3.32Å; M97-T100 PolarHBondContact O-N 3.48Å; M97-G101 WeakPolarHBondContact O-CA 3.28Å; M97-G101 PolarHBondContact O-N 3.09Å; M97-V102 VanDerWaalsContact CA-O 3.24Å; M97-V102 WeakPolarHBondContact CA-O 3.29Å; M97-V102 WeakPolarHBondContact CB-O 3.35Å; M97-V102 WeakPolarHBondContact CG-O 3.09Å; M97-P103 HydrophobicContact CE-CG 4.45Å; M97-P103 HydrophobicContact SD-CB 4.42Å; M97-P103 HydrophobicContact SD-CG 4.17Å; M97-N169 HydrophobicContact SD-CB 4.44Å; M97-N169 PolarHBondContact SD-ND2 2.93Å
98	A	98.8	Very high	98.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-23.6	174.6	0	0	0	0	0	112.7	Y66 P92 G93 G96 I132 I174	Y66-A98 VanDerWaalsContact CE2-O 3.23Å; Y66-A98 WeakPolarHBondContact CE2-O 3.38Å; Y66-A98 WeakPolarHBondContact OH-CA 3.25Å; Y66-A98 PolarHBondContact OH-O 3.38Å; P92-A98 HydrophobicContact CB-CB 4.5Å; G93-A98 VanDerWaalsContact O-CB 3.25Å; G93-A98 WeakPolarHBondContact O-CB 3.34Å; G93-A98 PolarHBondContact O-N 3.39Å; G96-A98 PolarHBondContact O-N 3.17Å; G96-A98 VanDerWaalsContact O-N 3.12Å; A98-I132 HydrophobicContact CB-CD1 4.39Å; A98-I132 VanDerWaalsContact O-CD1 3.31Å; A98-I132 WeakPolarHBondContact O-CD1 3.34Å; A98-I174 HydrophobicContact CB-CD1 4.39Å; A98-I174 HydrophobicContact CB-CG2 4.34Å
99	Q	98.8	Very high	98.5	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-94.4	-30.8	176.9	-56.8	-64.5	-34.3	0	0	111.9	P94 G96 M97 R131 G134 C137	P94-Q99 PolarHBondContact O-NE2 3.44Å; G96-Q99 WeakPolarHBondContact O-CA 3.48Å; G96-Q99 WeakPolarHBondContact O-CB 3.47Å; G96-Q99 PolarHBondContact O-N 3.37Å; M97-Q99 PolarHBondContact O-N 3.32Å; Q99-R131 PolarHBondContact NE2-O 2.92Å; Q99-G134 CarbonylContact O-C 3.56Å; Q99-G134 VanDerWaalsContact O-CA 3.23Å; Q99-G134 WeakPolarHBondContact O-CA 3.45Å; Q99-C137 HydrophobicContact CB-CB 4.24Å; Q99-C137 HydrophobicContact CG-CB 4.01Å
100	T	98.9	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-116.7	-13	-164.5	62.3	0	0	0	0	114.7	T70 G96 M97 V102 G105 V107 V110 L135	T70-T100 VanDerWaalsContact CB-O 3.22Å; T70-T100 WeakPolarHBondContact CB-O 3.1Å; T70-T100 PolarHBondContact OG1-O 3.37Å; G96-T100 PolarHBondContact O-N 3.4Å; G96-T100 VanDerWaalsContact O-N 3.09Å; G96-T100 PolarHBondContact O-OG1 2.75Å; M97-T100 PolarHBondContact O-N 3.48Å; T100-V102 PolarHBondContact O-N 3.04Å; T100-V102 VanDerWaalsContact O-N 3.14Å; T100-V102 PolarHBondContact OG1-N 2.82Å; T100-G105 WeakPolarHBondContact CG2-O 3.33Å; T100-G105 PolarHBondContact OG1-O 3.08Å; T100-V107 HydrophobicContact CG2-CB 4.49Å; T100-V107 HydrophobicContact CG2-CG2 3.75Å; T100-V110 HydrophobicContact CG2-CB 4.41Å; T100-V110 HydrophobicContact CG2-CG1 4.47Å; T100-V110 HydrophobicContact CG2-CG2 4.2Å; T100-L135 HydrophobicContact CG2-CD2 3.91Å
101	G	98.8	Very high	98.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	71.8	-8.9	-169.9	0	0	0	0	0	114.3	H71 M97	H71-G101 PolarHBondContact ND1-O 3.48Å; M97-G101 WeakPolarHBondContact O-CA 3.28Å; M97-G101 PolarHBondContact O-N 3.09Å
102	V	98.9	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-96.5	133.2	-176.3	-178	0	0	0	0	111.1	Y74 M97 T100 F104 G105 V110 L114 I116	Y74-V102 HydrophobicContact CD2-CG1 3.79Å; Y74-V102 HydrophobicContact CD2-CG2 4.4Å; Y74-V102 HydrophobicContact CE2-CG1 4Å; Y74-V102 HydrophobicContact CG-CG1 4.09Å; Y74-V102 HydrophobicContact CG-CG2 4.16Å; M97-V102 VanDerWaalsContact CA-O 3.24Å; M97-V102 WeakPolarHBondContact CA-O 3.29Å; M97-V102 WeakPolarHBondContact CB-O 3.35Å; M97-V102 WeakPolarHBondContact CG-O 3.09Å; T100-V102 PolarHBondContact O-N 3.04Å; T100-V102 VanDerWaalsContact O-N 3.14Å; T100-V102 PolarHBondContact OG1-N 2.82Å; V102-F104 PolarHBondContact O-N 3.35Å; V102-G105 WeakPolarHBondContact O-CA 3.5Å; V102-G105 PolarHBondContact O-N 3Å; V102-V110 HydrophobicContact CB-CG2 3.84Å; V102-V110 HydrophobicContact CG1-CG2 4.16Å; V102-V110 HydrophobicContact CG2-CG1 3.93Å; V102-V110 HydrophobicContact CG2-CG2 4.12Å; V102-L114 HydrophobicContact CG1-CD1 3.87Å; V102-I116 HydrophobicContact CG2-CG1 4.41Å; V102-I116 HydrophobicContact CG2-CG2 4.23Å
103	P	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	135.5	174.3	-27.6	36.8	0	0	0	112.5	Y74 M97 G105 W148 V167	Y74-P103 HydrophobicContact CE1-CG 4.37Å; M97-P103 HydrophobicContact CE-CG 4.45Å; M97-P103 HydrophobicContact SD-CB 4.42Å; M97-P103 HydrophobicContact SD-CG 4.17Å; P103-G105 PolarHBondContact O-N 3.21Å; P103-W148 PolarHBondContact O-NE1 3.39Å; P103-V167 HydrophobicContact CB-CB 4.41Å; P103-V167 HydrophobicContact CB-CG1 3.86Å
104	F	98.8	Very high	98.6	Very high	11 Å²	11	17.8 Å²	17.8	5%	0.048	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	23.7	-170.8	-69.1	-83.7	0	0	0	113.2	V102 E106 G144 F147 W148 V167 V219 P247	V102-F104 PolarHBondContact O-N 3.35Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 2.95Å; F104-G144 WeakPolarHBondContact O-CA 3.49Å; F104-F147 HydrophobicContact CB-CB 4.17Å; F104-F147 HydrophobicContact CB-CD1 3.97Å; F104-F147 HydrophobicContact CB-CG 4.09Å; F104-F147 HydrophobicContact CD1-CB 4.09Å; F104-F147 HydrophobicContact CD1-CD2 4.42Å; F104-F147 HydrophobicContact CD1-CG 4.23Å; F104-F147 HydrophobicContact CD2-CD1 4.41Å; F104-F147 HydrophobicContact CD2-CD2 4.28Å; F104-F147 HydrophobicContact CD2-CE2 4.37Å; F104-F147 HydrophobicContact CD2-CG 4.3Å; F104-F147 HydrophobicContact CD2-CZ 4.48Å; F104-F147 HydrophobicContact CE2-CD2 4.45Å; F104-F147 HydrophobicContact CE2-CE2 4.43Å; F104-F147 HydrophobicContact CG-CB 4.17Å; F104-F147 HydrophobicContact CG-CD1 4.19Å; F104-F147 HydrophobicContact CG-CD2 4.27Å; F104-F147 AromaticContact CG-CG 3.95Å; F104-F147 HydrophobicContact CG-CG 3.95Å; F104-W148 PolarHBondContact O-NE1 3.2Å; F104-W148 VanDerWaalsContact O-NE1 3.16Å; F104-V167 HydrophobicContact CD2-CG1 3.97Å; F104-V167 HydrophobicContact CE2-CG1 4.47Å; F104-V219 HydrophobicContact CE1-CG1 4.16Å; F104-V219 HydrophobicContact CE2-CB 4.26Å; F104-V219 HydrophobicContact CE2-CG1 4.36Å; F104-V219 HydrophobicContact CE2-CG2 4.26Å; F104-V219 HydrophobicContact CZ-CB 3.83Å; F104-V219 HydrophobicContact CZ-CG1 3.58Å; F104-V219 HydrophobicContact CZ-CG2 4.27Å; F104-P247 HydrophobicContact CE1-CG 4.13Å
105	G	98.8	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.			trans	-80.6	71.2	-162.3	0	0	0	0	0	113.9	G96 T100 V102 P103 V107	G96-G105 CarbonylContact C-O 3.36Å; G96-G105 WeakPolarHBondContact CA-O 3.44Å; T100-G105 WeakPolarHBondContact CG2-O 3.33Å; T100-G105 PolarHBondContact OG1-O 3.08Å; V102-G105 WeakPolarHBondContact O-CA 3.5Å; V102-G105 PolarHBondContact O-N 3Å; P103-G105 PolarHBondContact O-N 3.21Å; G105-V107 PolarHBondContact O-N 3.12Å
106	E	98.8	Very high	98.7	Very high	15 Å²	15	21 Å²	21	7%	0.07	10%	0.102	C	C	.	.			trans	-60.1	132.3	165.9	-176.6	-89.3	165.1	0	0	110.2	F104 K108 S109 V110 S140 E141 A145	F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 2.95Å; E106-K108 PolarHBondContact O-N 3.32Å; E106-K108 VanDerWaalsContact OE1-CB 3.25Å; E106-K108 WeakPolarHBondContact OE1-CB 3.46Å; E106-K108 PolarHBondContact OE1-N 2.77Å; E106-K108 WeakPolarHBondContact OE2-CB 3.24Å; E106-K108 PolarHBondContact OE2-N 3.45Å; E106-S109 WeakPolarHBondContact O-CB 3.36Å; E106-S109 PolarHBondContact O-N 3.47Å; E106-S109 WeakPolarHBondContact OE2-CB 3.34Å; E106-S109 PolarHBondContact OE2-N 3.47Å; E106-S109 PolarHBondContact OE2-OG 2.72Å; E106-V110 WeakPolarHBondContact O-CG2 3.27Å; E106-V110 PolarHBondContact O-N 2.89Å; E106-S140 VanDerWaalsContact CG-OG 3.25Å; E106-S140 WeakPolarHBondContact CG-OG 3.49Å; E106-S140 PolarHBondContact OE1-OG 3.13Å; E106-E141 HydrophobicContact CB-CB 4.42Å; E106-A145 HydrophobicContact CB-CB 4.5Å; E106-A145 HydrophobicContact CG-CB 4.06Å
107	V	98.8	Very high	98.7	Very high	15 Å²	15	25 Å²	25	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-53.9	-47.5	-166.8	174.9	0	0	0	0	112.6	T100 G105 S109 V110 V111 L135 C137	T100-V107 HydrophobicContact CG2-CB 4.49Å; T100-V107 HydrophobicContact CG2-CG2 3.75Å; G105-V107 PolarHBondContact O-N 3.12Å; V107-S109 VanDerWaalsContact C-N 3.32Å; V107-S109 PolarHBondContact O-N 3.13Å; V107-V110 PolarHBondContact O-N 3.12Å; V107-V111 HydrophobicContact CG1-CG2 4.24Å; V107-V111 WeakPolarHBondContact O-CB 3.49Å; V107-V111 WeakPolarHBondContact O-CG2 2.98Å; V107-V111 PolarHBondContact O-N 3.15Å; V107-L135 WeakPolarHBondContact CG1-O 3.45Å; V107-C137 HydrophobicContact CG2-CB 4.03Å
108	K	98.4	Very high	98.7	Very high	121 Å²	121	26.9 Å²	26.9	53%	0.526	15%	0.15	S	C	.	.	H	α-helix	trans	-61.4	-42.9	-178.9	-169.7	180	177.8	56.5	0	111.3	E106 D112	E106-K108 PolarHBondContact O-N 3.32Å; E106-K108 VanDerWaalsContact OE1-CB 3.25Å; E106-K108 WeakPolarHBondContact OE1-CB 3.46Å; E106-K108 PolarHBondContact OE1-N 2.77Å; E106-K108 WeakPolarHBondContact OE2-CB 3.24Å; E106-K108 PolarHBondContact OE2-N 3.45Å; K108-D112 HydrophobicContact CG-CB 4.47Å; K108-D112 WeakPolarHBondContact CG-OD2 3.35Å; K108-D112 IonicContact NZ-OD2 2.73Å; K108-D112 PolarHBondContact NZ-OD2 3.2Å; K108-D112 WeakPolarHBondContact O-CA 3.48Å; K108-D112 WeakPolarHBondContact O-CB 3.29Å; K108-D112 PolarHBondContact O-N 2.93Å
109	S	98.6	Very high	98.6	Very high	14 Å²	14	34.1 Å²	34.1	10%	0.098	18%	0.184	C	C	.	.	I	π-helix	trans	-65.1	-42	177.9	-54.6	0	0	0	0	111.5	E106 V107 W113 L114	E106-S109 WeakPolarHBondContact O-CB 3.36Å; E106-S109 PolarHBondContact O-N 3.47Å; E106-S109 WeakPolarHBondContact OE2-CB 3.34Å; E106-S109 PolarHBondContact OE2-N 3.47Å; E106-S109 PolarHBondContact OE2-OG 2.72Å; V107-S109 VanDerWaalsContact C-N 3.32Å; V107-S109 PolarHBondContact O-N 3.13Å; S109-W113 WeakPolarHBondContact O-CB 3.46Å; S109-W113 PolarHBondContact O-N 3.4Å; S109-W113 VanDerWaalsContact O-N 3.16Å; S109-L114 PolarHBondContact O-N 3.36Å
110	V	98.8	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-64.8	-46.9	179	172.6	0	0	0	0	111.9	T100 V102 E106 V107 L114 K115 I116 L135	T100-V110 HydrophobicContact CG2-CB 4.41Å; T100-V110 HydrophobicContact CG2-CG1 4.47Å; T100-V110 HydrophobicContact CG2-CG2 4.2Å; V102-V110 HydrophobicContact CB-CG2 3.84Å; V102-V110 HydrophobicContact CG1-CG2 4.16Å; V102-V110 HydrophobicContact CG2-CG1 3.93Å; V102-V110 HydrophobicContact CG2-CG2 4.12Å; E106-V110 WeakPolarHBondContact O-CG2 3.27Å; E106-V110 PolarHBondContact O-N 2.89Å; V107-V110 PolarHBondContact O-N 3.12Å; V110-L114 HydrophobicContact CG2-CD1 4.32Å; V110-L114 CarbonylContact O-C 3.19Å; V110-L114 WeakPolarHBondContact O-CB 3.42Å; V110-K115 PolarHBondContact O-N 2.88Å; V110-I116 HydrophobicContact CG1-CB 3.75Å; V110-I116 HydrophobicContact CG1-CG1 4.36Å; V110-I116 HydrophobicContact CG1-CG2 4.27Å; V110-I116 PolarHBondContact O-N 2.97Å; V110-L135 HydrophobicContact CG1-CD2 4.17Å
111	V	98.6	Very high	98.6	Very high	55 Å²	55	37.5 Å²	37.5	33%	0.333	21%	0.211	S	C	.	.	I	π-helix	trans	-80.3	-51	-176.9	176.6	0	0	0	0	111.4	V107 K115 L135	V107-V111 HydrophobicContact CG1-CG2 4.24Å; V107-V111 WeakPolarHBondContact O-CB 3.49Å; V107-V111 WeakPolarHBondContact O-CG2 2.98Å; V107-V111 PolarHBondContact O-N 3.15Å; V111-K115 WeakPolarHBondContact O-CA 3.47Å; V111-K115 WeakPolarHBondContact O-CD 3.39Å; V111-L135 HydrophobicContact CG2-CB 4.23Å; V111-L135 HydrophobicContact CG2-CD1 4.32Å; V111-L135 HydrophobicContact CG2-CD2 4.25Å; V111-L135 HydrophobicContact CG2-CG 4.5Å
112	D	98.4	Very high	98.6	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	24%	0.243	S	C	.	.	I	π-helix	trans	-81.6	-30.2	-169.2	-63.1	-10.5	0	0	0	113	K108 K115	K108-D112 HydrophobicContact CG-CB 4.47Å; K108-D112 WeakPolarHBondContact CG-OD2 3.35Å; K108-D112 IonicContact NZ-OD2 2.73Å; K108-D112 PolarHBondContact NZ-OD2 3.2Å; K108-D112 WeakPolarHBondContact O-CA 3.48Å; K108-D112 WeakPolarHBondContact O-CB 3.29Å; K108-D112 PolarHBondContact O-N 2.93Å; D112-K115 WeakPolarHBondContact O-CD 3.47Å; D112-K115 WeakPolarHBondContact O-CE 3.33Å; D112-K115 PolarHBondContact O-NZ 2.83Å
113	W	98.7	Very high	98.5	Very high	11 Å²	11	46.7 Å²	46.7	4%	0.042	25%	0.248	C	C	.	.	I	π-helix	trans	-111.2	-53.8	-174.9	-172.6	60.6	0	0	0	112.5	S109 K115 W148 F151 R152 G156 P158	S109-W113 WeakPolarHBondContact O-CB 3.46Å; S109-W113 PolarHBondContact O-N 3.4Å; S109-W113 VanDerWaalsContact O-N 3.16Å; W113-K115 PolarHBondContact O-N 3.49Å; W113-W148 HydrophobicContact CE3-CE3 4.38Å; W113-W148 HydrophobicContact CH2-CE3 4.41Å; W113-W148 HydrophobicContact CZ3-CD2 4.33Å; W113-W148 AromaticContact CZ3-CE3 3.54Å; W113-W148 HydrophobicContact CZ3-CE3 3.54Å; W113-W148 HydrophobicContact CZ3-CZ3 4.08Å; W113-F151 HydrophobicContact CH2-CB 4.1Å; W113-R152 HydrophobicContact CD2-CB 3.89Å; W113-R152 HydrophobicContact CD2-CG 4.16Å; W113-R152 HydrophobicContact CE3-CB 4.41Å; W113-R152 HydrophobicContact CG-CB 4.25Å; W113-R152 HydrophobicContact CG-CG 4.04Å; W113-R152 HydrophobicContact CZ2-CB 3.99Å; W113-G156 PolarHBondContact NE1-O 2.86Å; W113-P158 HydrophobicContact CD2-CB 4.44Å; W113-P158 HydrophobicContact CH2-CB 4.17Å; W113-P158 HydrophobicContact CZ2-CB 4.05Å; W113-P158 HydrophobicContact CZ3-CB 4.4Å
114	L	98.8	Very high	98.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-71.6	-15.7	177	-58	178.2	0	0	0	112.7	K77 Y78 V102 S109 V110 I116 W148 P158 F162	K77-L114 PolarHBondContact NZ-O 3.39Å; Y78-L114 HydrophobicContact CE2-CB 4.2Å; Y78-L114 HydrophobicContact CE2-CD2 4.26Å; Y78-L114 PolarHBondContact OH-O 2.98Å; V102-L114 HydrophobicContact CG1-CD1 3.87Å; S109-L114 PolarHBondContact O-N 3.36Å; V110-L114 HydrophobicContact CG2-CD1 4.32Å; V110-L114 CarbonylContact O-C 3.19Å; V110-L114 WeakPolarHBondContact O-CB 3.42Å; L114-I116 VanDerWaalsContact C-N 3.26Å; L114-I116 HydrophobicContact CB-CG1 3.83Å; L114-I116 PolarHBondContact O-N 3.06Å; L114-W148 HydrophobicContact CD1-CD2 4.29Å; L114-W148 HydrophobicContact CD1-CZ2 4.09Å; L114-W148 HydrophobicContact CD2-CE3 4.44Å; L114-W148 HydrophobicContact CD2-CZ3 4.36Å; L114-P158 HydrophobicContact CD2-CB 4.11Å; L114-F162 HydrophobicContact CD2-CE2 3.58Å; L114-F162 HydrophobicContact CD2-CZ 4Å
115	K	98.7	Very high	98.2	Very high	130 Å²	130	56.2 Å²	56.2	57%	0.565	31%	0.314	S	S	*	.			trans	48.1	48.7	-177.7	-45.6	-59.8	-164.1	-179	0	112	K77 V110 V111 D112 W113	K77-K115 PolarHBondContact NZ-O 2.94Å; V110-K115 PolarHBondContact O-N 2.88Å; V111-K115 WeakPolarHBondContact O-CA 3.47Å; V111-K115 WeakPolarHBondContact O-CD 3.39Å; D112-K115 WeakPolarHBondContact O-CD 3.47Å; D112-K115 WeakPolarHBondContact O-CE 3.33Å; D112-K115 PolarHBondContact O-NZ 2.83Å; W113-K115 PolarHBondContact O-N 3.49Å
116	I	98.8	Very high	98.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	32%	0.324	C	S	.	.			trans	-93.8	133.9	174.1	-56.9	-53.5	0	0	0	108.6	T70 C73 K77 Y78 V102 V110 L114	T70-I116 VanDerWaalsContact O-CG2 3.22Å; T70-I116 WeakPolarHBondContact O-CG2 3.41Å; C73-I116 HydrophobicContact CB-CG2 4.1Å; K77-I116 HydrophobicContact CD-CD1 3.97Å; Y78-I116 HydrophobicContact CD2-CD1 4.34Å; Y78-I116 HydrophobicContact CE2-CD1 3.9Å; V102-I116 HydrophobicContact CG2-CG1 4.41Å; V102-I116 HydrophobicContact CG2-CG2 4.23Å; V110-I116 HydrophobicContact CG1-CB 3.75Å; V110-I116 HydrophobicContact CG1-CG1 4.36Å; V110-I116 HydrophobicContact CG1-CG2 4.27Å; V110-I116 PolarHBondContact O-N 2.97Å; L114-I116 VanDerWaalsContact C-N 3.26Å; L114-I116 HydrophobicContact CB-CG1 3.83Å; L114-I116 PolarHBondContact O-N 3.06Å
117	S	97.8	Very high	98.1	Very high	83 Å²	83	58.3 Å²	58.3	58%	0.58	32%	0.323	S	S	*	.			trans	-133.3	166.2	175.9	58.1	0	0	0	0	109.5
118	G	98.1	Very high	98.1	Very high	42 Å²	42	61.7 Å²	61.7	43%	0.433	35%	0.345	S	S	.	.			trans	147.3	169.5	-178.2	0	0	0	0	0	111
119	E	98.3	Very high	98	Very high	153 Å²	153	62.8 Å²	62.8	72%	0.715	35%	0.35	S	S	*	.			trans	-80.9	147.5	174.8	-61.1	-165.6	161.1	0	0	110.8
120	V	98.8	Very high	97.9	Very high	35 Å²	35	64.9 Å²	64.9	21%	0.212	36%	0.356	C	S	.	.			trans	-126.9	113.8	171.7	-177.9	0	0	0	0	107.4	Y66 A67 T70 I132	Y66-V120 HydrophobicContact CD2-CG1 4Å; Y66-V120 HydrophobicContact CE2-CG1 4.3Å; A67-V120 HydrophobicContact CB-CG1 3.85Å; A67-V120 HydrophobicContact CB-CG2 4.27Å; T70-V120 HydrophobicContact CG2-CG2 3.72Å; V120-I132 HydrophobicContact CG1-CG2 3.74Å
121	G	98.5	Very high	97.9	Very high	36 Å²	36	72.4 Å²	72.4	37%	0.371	38%	0.384	S	S	.	.			trans	-76.1	-153.3	172.6	0	0	0	0	0	112.2	Y66	Y66-G121 WeakPolarHBondContact O-CA 3.24Å; Y66-G121 PolarHBondContact O-N 3.31Å
122	R	97.8	Very high	97.9	Very high	174 Å²	174	70 Å²	70	66%	0.657	37%	0.37	S	S	*	.			trans	-136.6	150.6	-179.2	-60.2	-175.4	-173.7	178.6	5.1	111
123	P	97.7	Very high	97.9	Very high	19 Å²	19	71.6 Å²	71.6	12%	0.123	38%	0.378	C	S	.	.			trans	-66.2	157.9	168.6	31.4	-35.8	0	0	0	110.2	Y61 Y66 E125 E126 I132	Y61-P123 HydrophobicContact CD1-CB 3.66Å; Y61-P123 HydrophobicContact CD1-CG 3.52Å; Y61-P123 HydrophobicContact CD2-CG 4.11Å; Y61-P123 HydrophobicContact CE1-CB 4.18Å; Y61-P123 HydrophobicContact CE1-CG 3.64Å; Y61-P123 HydrophobicContact CE2-CG 4.16Å; Y61-P123 HydrophobicContact CG-CB 4.04Å; Y61-P123 HydrophobicContact CG-CG 3.8Å; Y66-P123 HydrophobicContact CD1-CB 4.14Å; Y66-P123 HydrophobicContact CE1-CB 4.27Å; P123-E125 PolarHBondContact O-N 3.39Å; P123-E126 HydrophobicContact CG-CG 3.62Å; P123-I132 HydrophobicContact CG-CG1 4.19Å
124	A	94.1	Very high	97.9	Very high	119 Å²	119	71.4 Å²	71.4	98%	0.983	38%	0.379	S	S	*	.	S	Bend	trans	-59	-34.5	-176.7	0	0	0	0	0	113.5
125	E	96.8	Very high	97.9	Very high	93 Å²	93	73.6 Å²	73.6	44%	0.435	39%	0.39	S	S	.	.	S	Bend	trans	-132.8	122.6	176.3	-169.7	-175.2	-174.8	0	0	109.9	R58 Y59 Y61 P123	R58-E125 IonicContact CZ-OE1 3.29Å; R58-E125 VanDerWaalsContact CZ-OE1 3.29Å; R58-E125 IonicContact CZ-OE2 3.65Å; R58-E125 IonicContact NH1-OE1 3.09Å; R58-E125 PolarHBondContact NH1-OE1 3.43Å; R58-E125 VanDerWaalsContact NH1-OE1 3.09Å; R58-E125 IonicContact NH1-OE2 2.75Å; R58-E125 PolarHBondContact NH1-OE2 3.22Å; R58-E125 IonicContact NH2-OE1 2.67Å; R58-E125 PolarHBondContact NH2-OE1 3.19Å; R58-E125 IonicContact NH2-OE2 3.63Å; Y59-E125 HydrophobicContact CD1-CG 4.12Å; Y59-E125 HydrophobicContact CE1-CG 3.88Å; Y61-E125 WeakPolarHBondContact CE1-O 3.35Å; P123-E125 PolarHBondContact O-N 3.39Å
126	E	98.3	Very high	97.8	Very high	47 Å²	47	70.1 Å²	70.1	22%	0.22	39%	0.391	C	S	.	.			trans	-105.3	134.1	178.9	-70	-174.6	114.3	0	0	112.3	Y61 P123 R131 I132	Y61-E126 VanDerWaalsContact OH-CA 3.28Å; Y61-E126 WeakPolarHBondContact OH-CA 3.22Å; P123-E126 HydrophobicContact CG-CG 3.62Å; E126-R131 WeakPolarHBondContact OE1-CA 3.36Å; E126-I132 PolarHBondContact OE1-N 3.26Å
127	H	98.3	Very high	97.8	Very high	12 Å²	12	70.3 Å²	70.3	6%	0.056	39%	0.393	C	S	.	.			trans	-70.5	132.5	163.5	-178.8	-85.8	0	0	0	109.9	Y59 Y61 K129 R130 A178 S179 G180	Y59-H127 HydrophobicContact CD1-CB 4.03Å; Y59-H127 HydrophobicContact CD2-CB 3.8Å; Y59-H127 HydrophobicContact CE1-CB 4.01Å; Y59-H127 HydrophobicContact CE2-CB 3.81Å; Y59-H127 AromaticContact CE2-CD2 3.42Å; Y59-H127 VanDerWaalsContact CE2-CD2 3.42Å; Y59-H127 WeakPolarHBondContact CE2-CD2 3.5Å; Y59-H127 AromaticContact CE2-CG 3.99Å; Y59-H127 HydrophobicContact CG-CB 3.92Å; Y59-H127 AromaticContact CZ-CD2 3.82Å; Y61-H127 PolarHBondContact OH-N 3.48Å; H127-K129 PolarHBondContact ND1-N 2.81Å; H127-K129 PolarHBondContact O-N 3.16Å; H127-R130 HydrophobicContact CB-CB 4.28Å; H127-R130 CarbonylContact O-C 3.6Å; H127-R130 WeakPolarHBondContact O-CA 3.16Å; H127-R130 PolarHBondContact O-N 3.44Å; H127-A178 PolarHBondContact CD2-O 2.92Å; H127-A178 PolarHBondContact NE2-O 3.32Å; H127-S179 PolarHBondContact CE1-O 2.88Å; H127-S179 PolarHBondContact NE2-O 3.37Å; H127-G180 VanDerWaalsContact CE1-CA 3.49Å; H127-G180 WeakPolarHBondContact CE1-CA 3.27Å; H127-G180 PolarHBondContact NE2-N 2.78Å
128	P	96.9	Very high	97.7	Very high	85 Å²	85	72.9 Å²	72.9	55%	0.552	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.8	-174	-28.8	34.9	0	0	0	115.9
129	K	96.2	Very high	97.7	Very high	145 Å²	145	75.5 Å²	75.5	63%	0.63	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	1.5	177.3	-55.7	-180	-177.4	174.5	0	114.2	H127	H127-K129 PolarHBondContact ND1-N 2.81Å; H127-K129 PolarHBondContact O-N 3.16Å
130	R	97.3	Very high	97.6	Very high	58 Å²	58	71.2 Å²	71.2	22%	0.219	39%	0.393	C	S	.	.	S	Bend	trans	-140.4	48.6	-172.8	-61.2	-71.7	-177	-90.2	-5.9	109.7	Y61 H127 M176 G180	Y61-R130 HydrophobicContact CE2-CB 4.4Å; Y61-R130 VanDerWaalsContact CE2-O 3.23Å; Y61-R130 WeakPolarHBondContact CE2-O 3.36Å; Y61-R130 PolarHBondContact OH-O 3.01Å; H127-R130 HydrophobicContact CB-CB 4.28Å; H127-R130 CarbonylContact O-C 3.6Å; H127-R130 WeakPolarHBondContact O-CA 3.16Å; H127-R130 PolarHBondContact O-N 3.44Å; R130-M176 HydrophobicContact CB-SD 3.6Å; R130-M176 HydrophobicContact CG-SD 3.5Å; R130-M176 VanDerWaalsContact CG-SD 3.5Å; R130-G180 VanDerWaalsContact CZ-O 3.27Å; R130-G180 PolarHBondContact NE-O 2.8Å; R130-G180 VanDerWaalsContact NE-O 3.1Å; R130-G180 PolarHBondContact NH2-O 3.37Å
131	R	98.1	Very high	97.5	Very high	157 Å²	157	70.4 Å²	70.4	59%	0.592	39%	0.387	S	S	*	.			trans	-70.5	145.9	175.4	-67.6	-178.8	176.6	177	-1.7	110.5	Q99 E126 L133	Q99-R131 PolarHBondContact NE2-O 2.92Å; E126-R131 WeakPolarHBondContact OE1-CA 3.36Å; R131-L133 HydrophobicContact CB-CD2 4.36Å
132	I	98.8	Very high	97.4	Very high	5 Å²	5	71.8 Å²	71.8	3%	0.026	39%	0.388	C	S	.	.			trans	-88.9	115.1	171.1	-55.9	-45.7	0	0	0	107.8	Y61 Y66 A98 V120 P123 E126	Y61-I132 HydrophobicContact CD2-CD1 3.9Å; Y61-I132 HydrophobicContact CD2-CG1 4.34Å; Y61-I132 HydrophobicContact CE2-CD1 3.85Å; Y61-I132 HydrophobicContact CE2-CG1 4.24Å; Y66-I132 HydrophobicContact CD2-CG2 4.1Å; Y66-I132 HydrophobicContact CE2-CB 4.47Å; Y66-I132 HydrophobicContact CE2-CD1 4.39Å; Y66-I132 HydrophobicContact CE2-CG1 3.98Å; Y66-I132 HydrophobicContact CE2-CG2 3.75Å; A98-I132 HydrophobicContact CB-CD1 4.39Å; A98-I132 VanDerWaalsContact O-CD1 3.31Å; A98-I132 WeakPolarHBondContact O-CD1 3.34Å; V120-I132 HydrophobicContact CG1-CG2 3.74Å; P123-I132 HydrophobicContact CG-CG1 4.19Å; E126-I132 PolarHBondContact OE1-N 3.26Å
133	L	98.5	Very high	97.4	Very high	96 Å²	96	64.3 Å²	64.3	50%	0.503	36%	0.363	S	S	.	.			trans	-108.5	2.6	178.3	-56.1	179.4	0	0	0	111.5	R131 G136 C137	R131-L133 HydrophobicContact CB-CD2 4.36Å; L133-G136 PolarHBondContact O-N 3.2Å; L133-C137 HydrophobicContact CB-CB 4.04Å
134	G	98.6	Very high	97.4	Very high	6 Å²	6	63.4 Å²	63.4	6%	0.062	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	64.7	-146.8	179.7	0	0	0	0	0	112.8	Q99 G136 C137	Q99-G134 CarbonylContact O-C 3.56Å; Q99-G134 VanDerWaalsContact O-CA 3.23Å; Q99-G134 WeakPolarHBondContact O-CA 3.45Å; G134-G136 PolarHBondContact O-N 3.25Å; G134-G136 VanDerWaalsContact O-N 3.1Å; G134-C137 WeakPolarHBondContact O-CB 3.42Å; G134-C137 PolarHBondContact O-N 3.39Å; G134-C137 VanDerWaalsContact O-N 3.11Å
135	L	98.6	Very high	97.7	Very high	47 Å²	47	59.3 Å²	59.3	25%	0.246	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-66.8	-4.9	173.7	-55	-177.1	0	0	0	113.5	T70 T100 V107 V110 V111	T70-L135 HydrophobicContact CG2-CD1 4.08Å; T70-L135 HydrophobicContact CG2-CD2 4.42Å; T70-L135 HydrophobicContact CG2-CG 4.34Å; T100-L135 HydrophobicContact CG2-CD2 3.91Å; V107-L135 WeakPolarHBondContact CG1-O 3.45Å; V110-L135 HydrophobicContact CG1-CD2 4.17Å; V111-L135 HydrophobicContact CG2-CB 4.23Å; V111-L135 HydrophobicContact CG2-CD1 4.32Å; V111-L135 HydrophobicContact CG2-CD2 4.25Å; V111-L135 HydrophobicContact CG2-CG 4.5Å
136	G	97.6	Very high	97.7	Very high	56 Å²	56	57.7 Å²	57.7	58%	0.577	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-89.7	0.5	171.7	0	0	0	0	0	114.5	L133 G134 T138	L133-G136 PolarHBondContact O-N 3.2Å; G134-G136 PolarHBondContact O-N 3.25Å; G134-G136 VanDerWaalsContact O-N 3.1Å; G136-T138 PolarHBondContact O-N 2.79Å
137	C	98.1	Very high	97.8	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.061	30%	0.303	C	S	.	.			trans	-64.9	126.8	178.9	-167.2	0	0	0	0	111.3	Q99 V107 L133 G134	Q99-C137 HydrophobicContact CB-CB 4.24Å; Q99-C137 HydrophobicContact CG-CB 4.01Å; V107-C137 HydrophobicContact CG2-CB 4.03Å; L133-C137 HydrophobicContact CB-CB 4.04Å; G134-C137 WeakPolarHBondContact O-CB 3.42Å; G134-C137 PolarHBondContact O-N 3.39Å; G134-C137 VanDerWaalsContact O-N 3.11Å
138	T	96.7	Very high	97.8	Very high	137 Å²	137	55 Å²	55	84%	0.84	30%	0.3	S	S	*	.			trans	-90.2	-8.5	-178.7	56.4	0	0	0	0	113.7	G136	G136-T138 PolarHBondContact O-N 2.79Å
139	Q	97	Very high	97.9	Very high	96 Å²	96	52 Å²	52	45%	0.449	28%	0.284	S	S	.	.			trans	-82.5	128.2	177	-71.2	-178.6	86.6	0	0	110.1	F95	F95-Q139 HydrophobicContact CB-CB 4.15Å; F95-Q139 HydrophobicContact CD1-CB 3.94Å; F95-Q139 HydrophobicContact CD2-CB 4.28Å; F95-Q139 HydrophobicContact CE1-CB 4.45Å; F95-Q139 VanDerWaalsContact CE1-CD 3.5Å; F95-Q139 HydrophobicContact CG-CB 3.86Å
140	S	96	Very high	98	Very high	63 Å²	63	45.3 Å²	45.3	44%	0.441	26%	0.255	S	S	.	.			trans	-90.1	128.2	177	-169.2	0	0	0	0	111	E106 V142	E106-S140 VanDerWaalsContact CG-OG 3.25Å; E106-S140 WeakPolarHBondContact CG-OG 3.49Å; E106-S140 PolarHBondContact OE1-OG 3.13Å; S140-V142 PolarHBondContact O-N 2.95Å
141	E	96.7	Very high	98	Very high	19 Å²	19	42.7 Å²	42.7	9%	0.089	25%	0.245	C	C	.	.			trans	-81.6	104.9	171.7	-176.2	168.6	101.8	0	0	110.6	G93 F95 G96 E106 S143 G144 A145	G93-E141 WeakPolarHBondContact CA-OE2 3.15Å; F95-E141 HydrophobicContact CB-CB 4.18Å; F95-E141 PolarHBondContact N-OE2 3.02Å; G96-E141 VanDerWaalsContact CA-CD 3.49Å; G96-E141 WeakPolarHBondContact CA-OE2 3.39Å; G96-E141 VanDerWaalsContact N-CD 3.32Å; G96-E141 PolarHBondContact N-OE2 3.17Å; E106-E141 HydrophobicContact CB-CB 4.42Å; E141-S143 VanDerWaalsContact C-N 3.26Å; E141-S143 PolarHBondContact O-N 2.9Å; E141-S143 VanDerWaalsContact O-N 3.15Å; E141-G144 WeakPolarHBondContact O-CA 3.24Å; E141-G144 PolarHBondContact O-N 3.36Å; E141-A145 PolarHBondContact O-N 3.01Å
142	V	97.4	Very high	98	Very high	65 Å²	65	41 Å²	41	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-52.5	-40.6	-176.3	179.8	0	0	0	0	113.4	S140 G144 R146 P249	S140-V142 PolarHBondContact O-N 2.95Å; V142-G144 VanDerWaalsContact C-N 3.35Å; V142-R146 HydrophobicContact CG1-CG 4.49Å; V142-R146 WeakPolarHBondContact O-CB 3.37Å; V142-R146 WeakPolarHBondContact O-CG 3.41Å; V142-R146 PolarHBondContact O-N 3.41Å; V142-P249 HydrophobicContact CB-CG 4.11Å; V142-P249 HydrophobicContact CG1-CB 4.3Å; V142-P249 HydrophobicContact CG1-CG 4.13Å
143	S	98.1	Very high	97.9	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.119	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-45.4	177.2	-61	0	0	0	0	111.6	E141 F147 P247 S248	E141-S143 VanDerWaalsContact C-N 3.26Å; E141-S143 PolarHBondContact O-N 2.9Å; E141-S143 VanDerWaalsContact O-N 3.15Å; S143-F147 WeakPolarHBondContact O-CB 3.28Å; S143-F147 PolarHBondContact O-N 3.39Å; S143-P247 WeakPolarHBondContact O-CG 3.47Å; S143-S248 WeakPolarHBondContact OG-CA 3.09Å
144	G	98.5	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-45	179.5	0	0	0	0	0	113	F104 E141 V142 R146 F147 W148	F104-G144 WeakPolarHBondContact O-CA 3.49Å; E141-G144 WeakPolarHBondContact O-CA 3.24Å; E141-G144 PolarHBondContact O-N 3.36Å; V142-G144 VanDerWaalsContact C-N 3.35Å; G144-R146 VanDerWaalsContact C-N 3.3Å; G144-R146 PolarHBondContact O-N 3.17Å; G144-F147 PolarHBondContact O-N 3.49Å; G144-W148 PolarHBondContact O-N 3.27Å
145	A	98.5	Very high	97.7	Very high	33 Å²	33	46.1 Å²	46.1	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-42.3	175.8	0	0	0	0	0	112.1	E106 E141 G149	E106-A145 HydrophobicContact CB-CB 4.5Å; E106-A145 HydrophobicContact CG-CB 4.06Å; E141-A145 PolarHBondContact O-N 3.01Å; A145-G149 VanDerWaalsContact O-CA 3.28Å; A145-G149 WeakPolarHBondContact O-CA 3.26Å; A145-G149 PolarHBondContact O-N 3.13Å
146	R	98.6	Very high	97.6	Very high	58 Å²	58	45.9 Å²	45.9	22%	0.219	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-48.3	174.5	-76.3	172.7	176.9	172.5	-2.2	111.6	V142 G144 F150 P247 N255 W258	V142-R146 HydrophobicContact CG1-CG 4.49Å; V142-R146 WeakPolarHBondContact O-CB 3.37Å; V142-R146 WeakPolarHBondContact O-CG 3.41Å; V142-R146 PolarHBondContact O-N 3.41Å; G144-R146 VanDerWaalsContact C-N 3.3Å; G144-R146 PolarHBondContact O-N 3.17Å; R146-F150 VanDerWaalsContact O-CB 3.27Å; R146-F150 WeakPolarHBondContact O-CB 3.47Å; R146-F150 PolarHBondContact O-N 3.12Å; R146-P247 HydrophobicContact CB-CB 3.82Å; R146-P247 VanDerWaalsContact CD-O 3.25Å; R146-P247 WeakPolarHBondContact CD-O 3.44Å; R146-P247 PolarHBondContact NH1-O 2.84Å; R146-N255 PolarHBondContact NH1-OD1 2.75Å; R146-N255 VanDerWaalsContact NH1-OD1 3.16Å; R146-N255 PolarHBondContact NH2-OD1 3.24Å; R146-W258 HydrophobicContact CB-CE3 4.02Å; R146-W258 HydrophobicContact CB-CZ3 4.19Å; R146-W258 WeakPolarHBondContact O-CZ3 3.49Å
147	F	98.8	Very high	97.6	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-57.4	-177.2	-176.4	-85.8	0	0	0	111.9	F87 F104 S143 G144 F150 F151 V167 V219 P247 W258	F87-F147 HydrophobicContact CB-CZ 4.14Å; F87-F147 HydrophobicContact CD1-CE2 4.35Å; F87-F147 HydrophobicContact CD1-CZ 4.45Å; F87-F147 HydrophobicContact CG-CZ 4.22Å; F104-F147 HydrophobicContact CB-CB 4.17Å; F104-F147 HydrophobicContact CB-CD1 3.97Å; F104-F147 HydrophobicContact CB-CG 4.09Å; F104-F147 HydrophobicContact CD1-CB 4.09Å; F104-F147 HydrophobicContact CD1-CD2 4.42Å; F104-F147 HydrophobicContact CD1-CG 4.23Å; F104-F147 HydrophobicContact CD2-CD1 4.41Å; F104-F147 HydrophobicContact CD2-CD2 4.28Å; F104-F147 HydrophobicContact CD2-CE2 4.37Å; F104-F147 HydrophobicContact CD2-CG 4.3Å; F104-F147 HydrophobicContact CD2-CZ 4.48Å; F104-F147 HydrophobicContact CE2-CD2 4.45Å; F104-F147 HydrophobicContact CE2-CE2 4.43Å; F104-F147 HydrophobicContact CG-CB 4.17Å; F104-F147 HydrophobicContact CG-CD1 4.19Å; F104-F147 HydrophobicContact CG-CD2 4.27Å; F104-F147 AromaticContact CG-CG 3.95Å; F104-F147 HydrophobicContact CG-CG 3.95Å; S143-F147 WeakPolarHBondContact O-CB 3.28Å; S143-F147 PolarHBondContact O-N 3.39Å; G144-F147 PolarHBondContact O-N 3.49Å; F147-F150 PolarHBondContact O-N 2.91Å; F147-F151 HydrophobicContact CD1-CD2 4.09Å; F147-F151 HydrophobicContact CD1-CE2 4.21Å; F147-F151 HydrophobicContact CD2-CE2 4.18Å; F147-F151 AromaticContact CE1-CD2 3.79Å; F147-F151 HydrophobicContact CE1-CD2 3.79Å; F147-F151 AromaticContact CE1-CE2 3.73Å; F147-F151 HydrophobicContact CE1-CE2 3.73Å; F147-F151 AromaticContact CE2-CE2 3.71Å; F147-F151 HydrophobicContact CE2-CE2 3.71Å; F147-F151 HydrophobicContact CG-CE2 4.42Å; F147-F151 HydrophobicContact CZ-CD2 4.03Å; F147-F151 AromaticContact CZ-CE2 3.47Å; F147-F151 HydrophobicContact CZ-CE2 3.47Å; F147-F151 VanDerWaalsContact CZ-CE2 3.47Å; F147-F151 HydrophobicContact CZ-CZ 4.48Å; F147-F151 VanDerWaalsContact O-CD2 3.25Å; F147-F151 WeakPolarHBondContact O-CD2 3.44Å; F147-F151 PolarHBondContact O-N 3.36Å; F147-V167 HydrophobicContact CE1-CG1 4.12Å; F147-V167 HydrophobicContact CE1-CG2 3.88Å; F147-V167 HydrophobicContact CZ-CG1 3.95Å; F147-V167 HydrophobicContact CZ-CG2 3.87Å; F147-V219 HydrophobicContact CE2-CG2 4.02Å; F147-P247 HydrophobicContact CB-CG 4.46Å; F147-W258 HydrophobicContact CD2-CH2 4.47Å
148	W	98.8	Very high	97.6	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-75.1	-32.3	-178	-68.5	124.4	0	0	0	112.7	P103 F104 W113 L114 G144 F150 F151 R152 F161 F162 V167	P103-W148 PolarHBondContact O-NE1 3.39Å; F104-W148 PolarHBondContact O-NE1 3.2Å; F104-W148 VanDerWaalsContact O-NE1 3.16Å; W113-W148 HydrophobicContact CE3-CE3 4.38Å; W113-W148 HydrophobicContact CH2-CE3 4.41Å; W113-W148 HydrophobicContact CZ3-CD2 4.33Å; W113-W148 AromaticContact CZ3-CE3 3.54Å; W113-W148 HydrophobicContact CZ3-CE3 3.54Å; W113-W148 HydrophobicContact CZ3-CZ3 4.08Å; L114-W148 HydrophobicContact CD1-CD2 4.29Å; L114-W148 HydrophobicContact CD1-CZ2 4.09Å; L114-W148 HydrophobicContact CD2-CE3 4.44Å; L114-W148 HydrophobicContact CD2-CZ3 4.36Å; G144-W148 PolarHBondContact O-N 3.27Å; W148-F150 VanDerWaalsContact C-N 3.29Å; W148-F150 PolarHBondContact O-N 2.91Å; W148-F151 PolarHBondContact O-N 3.31Å; W148-R152 VanDerWaalsContact O-CB 3.25Å; W148-R152 WeakPolarHBondContact O-CB 3.38Å; W148-R152 PolarHBondContact O-N 2.98Å; W148-F161 HydrophobicContact CH2-CE1 4.17Å; W148-F161 HydrophobicContact CZ3-CD1 4.16Å; W148-F161 AromaticContact CZ3-CE1 3.87Å; W148-F161 HydrophobicContact CZ3-CE1 3.87Å; W148-F161 HydrophobicContact CZ3-CZ 4.27Å; W148-F162 HydrophobicContact CH2-CE1 4.18Å; W148-F162 HydrophobicContact CH2-CE2 4.46Å; W148-F162 AromaticContact CH2-CZ 3.54Å; W148-F162 HydrophobicContact CH2-CZ 3.54Å; W148-F162 HydrophobicContact CZ3-CE2 4.41Å; W148-F162 AromaticContact CZ3-CZ 3.86Å; W148-F162 HydrophobicContact CZ3-CZ 3.86Å; W148-V167 HydrophobicContact CH2-CB 4.03Å; W148-V167 HydrophobicContact CH2-CG2 3.38Å; W148-V167 HydrophobicContact CZ2-CB 4.22Å; W148-V167 HydrophobicContact CZ2-CG1 4.49Å; W148-V167 HydrophobicContact CZ2-CG2 4Å; W148-V167 HydrophobicContact CZ3-CG2 4.11Å
149	G	98.4	Very high	97.6	Very high	20 Å²	20	47.1 Å²	47.1	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-38.3	173	0	0	0	0	0	112.8	A145 K153	A145-G149 VanDerWaalsContact O-CA 3.28Å; A145-G149 WeakPolarHBondContact O-CA 3.26Å; A145-G149 PolarHBondContact O-N 3.13Å; G149-K153 VanDerWaalsContact O-CG 3.32Å; G149-K153 WeakPolarHBondContact O-CG 3.47Å; G149-K153 PolarHBondContact O-N 3.12Å; G149-K153 VanDerWaalsContact O-N 3.09Å
150	F	98.2	Very high	97.6	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-51.1	174.4	170.5	-105.5	0	0	0	112.4	R146 F147 W148 R152 K153 L154 W258 E259 A262 K263 L266	R146-F150 VanDerWaalsContact O-CB 3.27Å; R146-F150 WeakPolarHBondContact O-CB 3.47Å; R146-F150 PolarHBondContact O-N 3.12Å; F147-F150 PolarHBondContact O-N 2.91Å; W148-F150 VanDerWaalsContact C-N 3.29Å; W148-F150 PolarHBondContact O-N 2.91Å; F150-R152 VanDerWaalsContact C-N 3.32Å; F150-R152 PolarHBondContact O-N 3.45Å; F150-K153 PolarHBondContact O-N 3.34Å; F150-L154 HydrophobicContact CD1-CD1 4.17Å; F150-L154 HydrophobicContact CD2-CD1 4.34Å; F150-L154 HydrophobicContact CE1-CD1 3.5Å; F150-L154 VanDerWaalsContact CE1-CD1 3.5Å; F150-L154 HydrophobicContact CE2-CD1 3.7Å; F150-L154 HydrophobicContact CE2-CG 4.16Å; F150-L154 HydrophobicContact CZ-CD1 3.25Å; F150-L154 HydrophobicContact CZ-CG 4.19Å; F150-L154 PolarHBondContact O-N 2.97Å; F150-L154 VanDerWaalsContact O-N 3.07Å; F150-W258 HydrophobicContact CB-CH2 4.32Å; F150-W258 HydrophobicContact CB-CZ3 3.72Å; F150-W258 HydrophobicContact CD1-CH2 4.4Å; F150-W258 HydrophobicContact CD1-CZ3 4.47Å; F150-W258 HydrophobicContact CG-CH2 4.47Å; F150-W258 HydrophobicContact CG-CZ3 4.08Å; F150-E259 HydrophobicContact CB-CG 4.32Å; F150-E259 HydrophobicContact CD2-CB 4.01Å; F150-E259 HydrophobicContact CD2-CG 4.06Å; F150-A262 HydrophobicContact CZ-CB 4.47Å; F150-K263 HydrophobicContact CE2-CB 3.97Å; F150-K263 HydrophobicContact CZ-CB 4.07Å; F150-L266 HydrophobicContact CE1-CD1 3.62Å; F150-L266 HydrophobicContact CZ-CD1 3.99Å
151	F	98.4	Very high	97.8	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-32.2	179.4	-70.3	-63.1	0	0	0	112.9	F87 W113 F147 W148 L154 C155 F161 L266 L275	F87-F151 AromaticContact CE1-CZ 3.93Å; F87-F151 HydrophobicContact CE1-CZ 3.93Å; F87-F151 HydrophobicContact CE2-CZ 4.11Å; F87-F151 HydrophobicContact CZ-CE1 4.2Å; F87-F151 AromaticContact CZ-CZ 3.65Å; F87-F151 HydrophobicContact CZ-CZ 3.65Å; W113-F151 HydrophobicContact CH2-CB 4.1Å; F147-F151 HydrophobicContact CD1-CD2 4.09Å; F147-F151 HydrophobicContact CD1-CE2 4.21Å; F147-F151 HydrophobicContact CD2-CE2 4.18Å; F147-F151 AromaticContact CE1-CD2 3.79Å; F147-F151 HydrophobicContact CE1-CD2 3.79Å; F147-F151 AromaticContact CE1-CE2 3.73Å; F147-F151 HydrophobicContact CE1-CE2 3.73Å; F147-F151 AromaticContact CE2-CE2 3.71Å; F147-F151 HydrophobicContact CE2-CE2 3.71Å; F147-F151 HydrophobicContact CG-CE2 4.42Å; F147-F151 HydrophobicContact CZ-CD2 4.03Å; F147-F151 AromaticContact CZ-CE2 3.47Å; F147-F151 HydrophobicContact CZ-CE2 3.47Å; F147-F151 VanDerWaalsContact CZ-CE2 3.47Å; F147-F151 HydrophobicContact CZ-CZ 4.48Å; F147-F151 VanDerWaalsContact O-CD2 3.25Å; F147-F151 WeakPolarHBondContact O-CD2 3.44Å; F147-F151 PolarHBondContact O-N 3.36Å; W148-F151 PolarHBondContact O-N 3.31Å; F151-L154 PolarHBondContact O-N 3.33Å; F151-C155 VanDerWaalsContact O-CB 3.25Å; F151-C155 WeakPolarHBondContact O-CB 3.19Å; F151-C155 PolarHBondContact O-N 2.94Å; F151-C155 PolarHBondContact O-SG 3.34Å; F151-F161 HydrophobicContact CB-CD2 4.02Å; F151-F161 HydrophobicContact CB-CE2 4.44Å; F151-F161 AromaticContact CD1-CD2 3.45Å; F151-F161 HydrophobicContact CD1-CD2 3.45Å; F151-F161 VanDerWaalsContact CD1-CD2 3.45Å; F151-F161 AromaticContact CD1-CE2 3.53Å; F151-F161 HydrophobicContact CD1-CE2 3.53Å; F151-F161 HydrophobicContact CD2-CD2 4.25Å; F151-F161 AromaticContact CD2-CE2 3.82Å; F151-F161 HydrophobicContact CD2-CE2 3.82Å; F151-F161 HydrophobicContact CD2-CZ 4.44Å; F151-F161 AromaticContact CE1-CD2 3.93Å; F151-F161 HydrophobicContact CE1-CD2 3.93Å; F151-F161 AromaticContact CE1-CE2 3.59Å; F151-F161 HydrophobicContact CE1-CE2 3.59Å; F151-F161 AromaticContact CE2-CE2 3.88Å; F151-F161 HydrophobicContact CE2-CE2 3.88Å; F151-F161 HydrophobicContact CE2-CZ 4.47Å; F151-F161 AromaticContact CG-CD2 3.63Å; F151-F161 HydrophobicContact CG-CD2 3.63Å; F151-F161 AromaticContact CG-CE2 3.65Å; F151-F161 HydrophobicContact CG-CE2 3.65Å; F151-F161 AromaticContact CZ-CE2 3.76Å; F151-F161 HydrophobicContact CZ-CE2 3.76Å; F151-L266 HydrophobicContact CE1-CD1 4.13Å; F151-L266 HydrophobicContact CZ-CD1 4.17Å; F151-L275 HydrophobicContact CD1-CD1 3.99Å; F151-L275 HydrophobicContact CE1-CD1 3.72Å
152	R	97.9	Very high	97.8	Very high	122 Å²	122	40.5 Å²	40.5	46%	0.46	21%	0.21	S	C	.	.	H	α-helix	trans	-59.2	-45.7	170.1	178.4	172.5	-176.3	-176.9	2.4	112.2	W113 W148 F150 L154 G156	W113-R152 HydrophobicContact CD2-CB 3.89Å; W113-R152 HydrophobicContact CD2-CG 4.16Å; W113-R152 HydrophobicContact CE3-CB 4.41Å; W113-R152 HydrophobicContact CG-CB 4.25Å; W113-R152 HydrophobicContact CG-CG 4.04Å; W113-R152 HydrophobicContact CZ2-CB 3.99Å; W148-R152 VanDerWaalsContact O-CB 3.25Å; W148-R152 WeakPolarHBondContact O-CB 3.38Å; W148-R152 PolarHBondContact O-N 2.98Å; F150-R152 VanDerWaalsContact C-N 3.32Å; F150-R152 PolarHBondContact O-N 3.45Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 3.06Å; R152-G156 WeakPolarHBondContact O-CA 3.46Å; R152-G156 PolarHBondContact O-N 2.87Å
153	K	96.8	Very high	97.9	Very high	143 Å²	143	44.9 Å²	44.9	62%	0.622	22%	0.22	S	C	*	.	H	α-helix	trans	-63.6	-37.4	176.7	-72	167.8	-179.2	171.9	0	112.3	G149 F150 E259	G149-K153 VanDerWaalsContact O-CG 3.32Å; G149-K153 WeakPolarHBondContact O-CG 3.47Å; G149-K153 PolarHBondContact O-N 3.12Å; G149-K153 VanDerWaalsContact O-N 3.09Å; F150-K153 PolarHBondContact O-N 3.34Å; K153-E259 IonicContact NZ-OE1 2.73Å; K153-E259 PolarHBondContact NZ-OE1 2.82Å; K153-E259 IonicContact NZ-OE2 2.75Å; K153-E259 PolarHBondContact NZ-OE2 2.89Å
154	L	96.1	Very high	97.9	Very high	61 Å²	61	46.2 Å²	46.2	32%	0.319	22%	0.224	S	C	.	.	H	α-helix	trans	-77.9	-40.6	-178	-72.6	-175.5	0	0	0	113.7	F150 F151 R152 L272	F150-L154 HydrophobicContact CD1-CD1 4.17Å; F150-L154 HydrophobicContact CD2-CD1 4.34Å; F150-L154 HydrophobicContact CE1-CD1 3.5Å; F150-L154 VanDerWaalsContact CE1-CD1 3.5Å; F150-L154 HydrophobicContact CE2-CD1 3.7Å; F150-L154 HydrophobicContact CE2-CG 4.16Å; F150-L154 HydrophobicContact CZ-CD1 3.25Å; F150-L154 HydrophobicContact CZ-CG 4.19Å; F150-L154 PolarHBondContact O-N 2.97Å; F150-L154 VanDerWaalsContact O-N 3.07Å; F151-L154 PolarHBondContact O-N 3.33Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 3.06Å; L154-L272 HydrophobicContact CD1-CD2 3.97Å
155	C	97	Very high	97.9	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-103.4	-18.3	-167.1	-50.8	0	0	0	0	112.5	F151 E157 Q160 F161	F151-C155 VanDerWaalsContact O-CB 3.25Å; F151-C155 WeakPolarHBondContact O-CB 3.19Å; F151-C155 PolarHBondContact O-N 2.94Å; F151-C155 PolarHBondContact O-SG 3.34Å; C155-E157 PolarHBondContact O-N 2.82Å; C155-Q160 HydrophobicContact CB-CB 3.98Å; C155-Q160 HydrophobicContact CB-CG 4Å; C155-F161 HydrophobicContact CB-CB 4.35Å
156	G	96.6	Very high	97.9	Very high	41 Å²	41	44.6 Å²	44.6	42%	0.423	21%	0.211	S	C	.	.	S	Bend	trans	71.3	-72.7	-171	0	0	0	0	0	111.3	W113 R152	W113-G156 PolarHBondContact NE1-O 2.86Å; R152-G156 WeakPolarHBondContact O-CA 3.46Å; R152-G156 PolarHBondContact O-N 2.87Å
157	E	96.8	Very high	97.9	Very high	125 Å²	125	41.9 Å²	41.9	58%	0.584	20%	0.2	S	C	*	.	S	Bend	trans	-99.5	148.1	179.4	-63.2	-53.7	141.4	0	0	111.9	C155 E159 Q160	C155-E157 PolarHBondContact O-N 2.82Å; E157-E159 VanDerWaalsContact C-N 3.29Å; E157-E159 PolarHBondContact O-N 3.35Å; E157-Q160 PolarHBondContact O-N 2.86Å
158	P	98.1	Very high	97.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-32.9	-179.4	26.5	-33.7	0	0	0	112.6	Y78 W113 L114 Q160 F161 F162	Y78-P158 HydrophobicContact CE1-CB 4.06Å; Y78-P158 HydrophobicContact CE1-CG 4.32Å; Y78-P158 WeakPolarHBondContact OH-CB 3.08Å; Y78-P158 WeakPolarHBondContact OH-CG 2.96Å; W113-P158 HydrophobicContact CD2-CB 4.44Å; W113-P158 HydrophobicContact CH2-CB 4.17Å; W113-P158 HydrophobicContact CZ2-CB 4.05Å; W113-P158 HydrophobicContact CZ3-CB 4.4Å; L114-P158 HydrophobicContact CD2-CB 4.11Å; P158-Q160 PolarHBondContact O-N 3.11Å; P158-F161 WeakPolarHBondContact O-CB 3.31Å; P158-F161 PolarHBondContact O-N 3.11Å; P158-F162 HydrophobicContact CB-CD2 4.06Å; P158-F162 HydrophobicContact CB-CE2 4.09Å; P158-F162 WeakPolarHBondContact O-CD2 3.35Å; P158-F162 PolarHBondContact O-N 2.85Å
159	E	97.4	Very high	97.9	Very high	100 Å²	100	42.3 Å²	42.3	47%	0.467	20%	0.203	S	C	.	.	H	α-helix	trans	-57.8	-34.9	179.7	-68.4	67.2	-145.7	0	0	111.8	E157 F161 F162 R163	E157-E159 VanDerWaalsContact C-N 3.29Å; E157-E159 PolarHBondContact O-N 3.35Å; E159-F161 VanDerWaalsContact C-N 3.34Å; E159-F161 PolarHBondContact O-N 3.42Å; E159-F162 PolarHBondContact O-N 3.34Å; E159-R163 WeakPolarHBondContact O-CB 3.46Å; E159-R163 PolarHBondContact O-N 2.77Å
160	Q	97.5	Very high	97.9	Very high	34 Å²	34	41.5 Å²	41.5	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-36.7	177.5	179.5	61.1	35.8	0	0	111.9	C155 E157 P158 L275 S276	C155-Q160 HydrophobicContact CB-CB 3.98Å; C155-Q160 HydrophobicContact CB-CG 4Å; E157-Q160 PolarHBondContact O-N 2.86Å; P158-Q160 PolarHBondContact O-N 3.11Å; Q160-L275 VanDerWaalsContact CG-O 3.24Å; Q160-L275 WeakPolarHBondContact CG-O 3.14Å; Q160-L275 PolarHBondContact NE2-O 3.43Å; Q160-L275 VanDerWaalsContact NE2-O 3.08Å; Q160-S276 VanDerWaalsContact NE2-C 3.31Å; Q160-S276 PolarHBondContact NE2-O 2.73Å
161	F	98.4	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.3	-50.4	171.4	173.6	-92.5	0	0	0	111.2	F87 W148 F151 C155 P158 E159 R163 H164 C165 V167 L275	F87-F161 HydrophobicContact CD2-CE2 4.13Å; F87-F161 AromaticContact CD2-CZ 3.79Å; F87-F161 HydrophobicContact CD2-CZ 3.79Å; F87-F161 AromaticContact CE2-CE2 3.77Å; F87-F161 HydrophobicContact CE2-CE2 3.77Å; F87-F161 AromaticContact CE2-CZ 3.9Å; F87-F161 HydrophobicContact CE2-CZ 3.9Å; W148-F161 HydrophobicContact CH2-CE1 4.17Å; W148-F161 HydrophobicContact CZ3-CD1 4.16Å; W148-F161 AromaticContact CZ3-CE1 3.87Å; W148-F161 HydrophobicContact CZ3-CE1 3.87Å; W148-F161 HydrophobicContact CZ3-CZ 4.27Å; F151-F161 HydrophobicContact CB-CD2 4.02Å; F151-F161 HydrophobicContact CB-CE2 4.44Å; F151-F161 AromaticContact CD1-CD2 3.45Å; F151-F161 HydrophobicContact CD1-CD2 3.45Å; F151-F161 VanDerWaalsContact CD1-CD2 3.45Å; F151-F161 AromaticContact CD1-CE2 3.53Å; F151-F161 HydrophobicContact CD1-CE2 3.53Å; F151-F161 HydrophobicContact CD2-CD2 4.25Å; F151-F161 AromaticContact CD2-CE2 3.82Å; F151-F161 HydrophobicContact CD2-CE2 3.82Å; F151-F161 HydrophobicContact CD2-CZ 4.44Å; F151-F161 AromaticContact CE1-CD2 3.93Å; F151-F161 HydrophobicContact CE1-CD2 3.93Å; F151-F161 AromaticContact CE1-CE2 3.59Å; F151-F161 HydrophobicContact CE1-CE2 3.59Å; F151-F161 AromaticContact CE2-CE2 3.88Å; F151-F161 HydrophobicContact CE2-CE2 3.88Å; F151-F161 HydrophobicContact CE2-CZ 4.47Å; F151-F161 AromaticContact CG-CD2 3.63Å; F151-F161 HydrophobicContact CG-CD2 3.63Å; F151-F161 AromaticContact CG-CE2 3.65Å; F151-F161 HydrophobicContact CG-CE2 3.65Å; F151-F161 AromaticContact CZ-CE2 3.76Å; F151-F161 HydrophobicContact CZ-CE2 3.76Å; C155-F161 HydrophobicContact CB-CB 4.35Å; P158-F161 WeakPolarHBondContact O-CB 3.31Å; P158-F161 PolarHBondContact O-N 3.11Å; E159-F161 VanDerWaalsContact C-N 3.34Å; E159-F161 PolarHBondContact O-N 3.42Å; F161-R163 PolarHBondContact O-N 3.46Å; F161-H164 PolarHBondContact O-N 2.77Å; F161-C165 HydrophobicContact CD1-CB 4.17Å; F161-C165 HydrophobicContact CD2-CB 4.07Å; F161-C165 HydrophobicContact CE1-CB 3.76Å; F161-C165 HydrophobicContact CE2-CB 3.67Å; F161-C165 HydrophobicContact CG-CB 4.31Å; F161-C165 HydrophobicContact CZ-CB 3.51Å; F161-C165 WeakPolarHBondContact O-CB 3.08Å; F161-C165 PolarHBondContact O-N 3.07Å; F161-V167 HydrophobicContact CE1-CG2 3.7Å; F161-V167 HydrophobicContact CZ-CG2 3.63Å; F161-L275 HydrophobicContact CD2-CD2 3.81Å; F161-L275 HydrophobicContact CG-CD2 4.49Å
162	F	98.6	Very high	98	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.022	19%	0.193	C	C	.	.	H	α-helix	trans	-74.5	-10	-173.2	-70.1	-70	0	0	0	114.4	Y74 Y78 K83 L114 W148 P158 E159 H164 C165 F166	Y74-F162 AromaticContact CE2-CE1 3.89Å; Y74-F162 HydrophobicContact CE2-CE1 3.89Å; Y74-F162 AromaticContact CE2-CZ 3.69Å; Y74-F162 HydrophobicContact CE2-CZ 3.69Å; Y78-F162 HydrophobicContact CD1-CB 3.7Å; Y78-F162 HydrophobicContact CD1-CD1 4.32Å; Y78-F162 AromaticContact CD1-CD2 3.18Å; Y78-F162 HydrophobicContact CD1-CD2 3.18Å; Y78-F162 AromaticContact CD1-CE2 3.86Å; Y78-F162 HydrophobicContact CD1-CE2 3.86Å; Y78-F162 AromaticContact CD1-CG 3.47Å; Y78-F162 HydrophobicContact CD1-CG 3.47Å; Y78-F162 VanDerWaalsContact CD1-CG 3.47Å; Y78-F162 AromaticContact CD2-CD2 3.96Å; Y78-F162 HydrophobicContact CD2-CD2 3.96Å; Y78-F162 HydrophobicContact CD2-CE1 4.5Å; Y78-F162 AromaticContact CD2-CE2 3.76Å; Y78-F162 HydrophobicContact CD2-CE2 3.76Å; Y78-F162 HydrophobicContact CD2-CG 4.45Å; Y78-F162 HydrophobicContact CD2-CZ 4.03Å; Y78-F162 AromaticContact CE1-CD2 3.53Å; Y78-F162 HydrophobicContact CE1-CD2 3.53Å; Y78-F162 HydrophobicContact CE1-CE2 4.06Å; Y78-F162 HydrophobicContact CE1-CG 4.25Å; Y78-F162 HydrophobicContact CE2-CD2 4.23Å; Y78-F162 AromaticContact CE2-CE2 3.94Å; Y78-F162 HydrophobicContact CE2-CE2 3.94Å; Y78-F162 HydrophobicContact CG-CB 4.19Å; Y78-F162 AromaticContact CG-CD1 3.98Å; Y78-F162 HydrophobicContact CG-CD1 3.98Å; Y78-F162 AromaticContact CG-CD2 3.43Å; Y78-F162 HydrophobicContact CG-CD2 3.43Å; Y78-F162 VanDerWaalsContact CG-CD2 3.43Å; Y78-F162 HydrophobicContact CG-CE1 4.19Å; Y78-F162 AromaticContact CG-CE2 3.71Å; Y78-F162 HydrophobicContact CG-CE2 3.71Å; Y78-F162 AromaticContact CG-CG 3.59Å; Y78-F162 HydrophobicContact CG-CG 3.59Å; Y78-F162 HydrophobicContact CG-CZ 4.07Å; K83-F162 WeakPolarHBondContact CE-O 3.06Å; K83-F162 PolarHBondContact NZ-O 3.11Å; L114-F162 HydrophobicContact CD2-CE2 3.58Å; L114-F162 HydrophobicContact CD2-CZ 4Å; W148-F162 HydrophobicContact CH2-CE1 4.18Å; W148-F162 HydrophobicContact CH2-CE2 4.46Å; W148-F162 AromaticContact CH2-CZ 3.54Å; W148-F162 HydrophobicContact CH2-CZ 3.54Å; W148-F162 HydrophobicContact CZ3-CE2 4.41Å; W148-F162 AromaticContact CZ3-CZ 3.86Å; W148-F162 HydrophobicContact CZ3-CZ 3.86Å; P158-F162 HydrophobicContact CB-CD2 4.06Å; P158-F162 HydrophobicContact CB-CE2 4.09Å; P158-F162 WeakPolarHBondContact O-CD2 3.35Å; P158-F162 PolarHBondContact O-N 2.85Å; E159-F162 PolarHBondContact O-N 3.34Å; F162-H164 PolarHBondContact O-N 3.32Å; F162-C165 WeakPolarHBondContact CA-O 3.23Å; F162-C165 WeakPolarHBondContact CD1-O 3.48Å; F162-F166 AromaticContact CD1-CD2 3.89Å; F162-F166 HydrophobicContact CD1-CD2 3.89Å; F162-F166 HydrophobicContact CD1-CE2 4.37Å; F162-F166 HydrophobicContact CE1-CD2 4.05Å; F162-F166 HydrophobicContact CE1-CE2 4.32Å
163	R	97.6	Very high	98	Very high	158 Å²	158	35.8 Å²	35.8	60%	0.596	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-41	170.9	-173.6	178.8	179	167.6	-0.9	111.7	E159 F161	E159-R163 WeakPolarHBondContact O-CB 3.46Å; E159-R163 PolarHBondContact O-N 2.77Å; F161-R163 PolarHBondContact O-N 3.46Å
164	H	98.2	Very high	98.1	Very high	44 Å²	44	29 Å²	29	20%	0.204	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-17.6	-174.9	-65.9	-58.7	0	0	0	113.9	T84 V85 F161 F162 L274	T84-H164 PolarHBondContact N-O 3.12Å; T84-H164 PolarHBondContact OG1-O 3.26Å; V85-H164 PolarHBondContact N-O 2.98Å; F161-H164 PolarHBondContact O-N 2.77Å; F162-H164 PolarHBondContact O-N 3.32Å; H164-L274 HydrophobicContact CB-CB 4.09Å; H164-L274 HydrophobicContact CB-CD1 4.47Å; H164-L274 PolarHBondContact CD2-O 3.38Å; H164-L274 VanDerWaalsContact CD2-O 3.31Å
165	C	98.8	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.3	-174.7	-58.1	0	0	0	0	112.2	K83 V85 F87 F161 F162	K83-C165 WeakPolarHBondContact CD-O 3.42Å; V85-C165 CarbonylContact O-C 3.55Å; V85-C165 VanDerWaalsContact O-CA 3.26Å; V85-C165 WeakPolarHBondContact O-CA 3.42Å; F87-C165 HydrophobicContact CD2-CB 4.25Å; F87-C165 HydrophobicContact CE2-CB 3.97Å; F161-C165 HydrophobicContact CD1-CB 4.17Å; F161-C165 HydrophobicContact CD2-CB 4.07Å; F161-C165 HydrophobicContact CE1-CB 3.76Å; F161-C165 HydrophobicContact CE2-CB 3.67Å; F161-C165 HydrophobicContact CG-CB 4.31Å; F161-C165 HydrophobicContact CZ-CB 3.51Å; F161-C165 WeakPolarHBondContact O-CB 3.08Å; F161-C165 PolarHBondContact O-N 3.07Å; F162-C165 WeakPolarHBondContact CA-O 3.23Å; F162-C165 WeakPolarHBondContact CD1-O 3.48Å
166	F	98.9	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.2	167.3	-157.6	-113.2	0	0	0	110.1	F37 Y74 V75 C79 K83 V85 L86 F87 F162 L211	F37-F166 HydrophobicContact CD2-CE1 4.34Å; F37-F166 HydrophobicContact CE1-CE1 4.16Å; F37-F166 HydrophobicContact CE2-CD1 4Å; F37-F166 AromaticContact CE2-CE1 3.7Å; F37-F166 HydrophobicContact CE2-CE1 3.7Å; F37-F166 HydrophobicContact CZ-CD1 4.28Å; F37-F166 AromaticContact CZ-CE1 3.61Å; F37-F166 HydrophobicContact CZ-CE1 3.61Å; Y74-F166 HydrophobicContact CD1-CZ 4.17Å; Y74-F166 HydrophobicContact CE1-CE1 4.03Å; Y74-F166 AromaticContact CE1-CE2 3.96Å; Y74-F166 HydrophobicContact CE1-CE2 3.96Å; Y74-F166 AromaticContact CE1-CZ 3.41Å; Y74-F166 HydrophobicContact CE1-CZ 3.41Å; Y74-F166 VanDerWaalsContact CE1-CZ 3.41Å; Y74-F166 AromaticContact CZ-CE2 3.82Å; Y74-F166 AromaticContact CZ-CZ 3.75Å; V75-F166 HydrophobicContact CG2-CZ 4.33Å; C79-F166 HydrophobicContact CB-CD2 4.4Å; C79-F166 HydrophobicContact CB-CE1 4.33Å; C79-F166 HydrophobicContact CB-CE2 3.77Å; C79-F166 HydrophobicContact CB-CZ 3.73Å; K83-F166 HydrophobicContact CD-CB 4.15Å; K83-F166 HydrophobicContact CG-CB 4.46Å; V85-F166 PolarHBondContact O-N 3.28Å; L86-F166 HydrophobicContact CD1-CB 4.38Å; L86-F166 HydrophobicContact CD1-CD1 4.44Å; F87-F166 PolarHBondContact N-O 3.5Å; F162-F166 AromaticContact CD1-CD2 3.89Å; F162-F166 HydrophobicContact CD1-CD2 3.89Å; F162-F166 HydrophobicContact CD1-CE2 4.37Å; F162-F166 HydrophobicContact CE1-CD2 4.05Å; F162-F166 HydrophobicContact CE1-CE2 4.32Å; F166-L211 HydrophobicContact CB-CD1 4.4Å; F166-L211 HydrophobicContact CB-CD2 4.42Å; F166-L211 HydrophobicContact CD1-CD1 4.15Å; F166-L211 HydrophobicContact CD1-CD2 4.07Å; F166-L211 HydrophobicContact CG-CD2 4.29Å
167	V	98.9	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134	-178.3	-166.8	0	0	0	0	109.5	Y74 F87 P103 F104 F147 W148 F161	Y74-V167 PolarHBondContact OH-N 2.96Å; Y74-V167 PolarHBondContact OH-O 2.97Å; Y74-V167 VanDerWaalsContact OH-O 3.07Å; F87-V167 HydrophobicContact CB-CB 4.48Å; F87-V167 HydrophobicContact CB-CG1 4.17Å; F87-V167 HydrophobicContact CB-CG2 4.15Å; F87-V167 WeakPolarHBondContact O-CA 3.3Å; P103-V167 HydrophobicContact CB-CB 4.41Å; P103-V167 HydrophobicContact CB-CG1 3.86Å; F104-V167 HydrophobicContact CD2-CG1 3.97Å; F104-V167 HydrophobicContact CE2-CG1 4.47Å; F147-V167 HydrophobicContact CE1-CG1 4.12Å; F147-V167 HydrophobicContact CE1-CG2 3.88Å; F147-V167 HydrophobicContact CZ-CG1 3.95Å; F147-V167 HydrophobicContact CZ-CG2 3.87Å; W148-V167 HydrophobicContact CH2-CB 4.03Å; W148-V167 HydrophobicContact CH2-CG2 3.38Å; W148-V167 HydrophobicContact CZ2-CB 4.22Å; W148-V167 HydrophobicContact CZ2-CG1 4.49Å; W148-V167 HydrophobicContact CZ2-CG2 4Å; W148-V167 HydrophobicContact CZ3-CG2 4.11Å; F161-V167 HydrophobicContact CE1-CG2 3.7Å; F161-V167 HydrophobicContact CZ-CG2 3.63Å
168	H	98.9	Very high	98.4	Very high	9 Å²	9	22 Å²	22	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.2	179	-174	52.4	0	0	0	110.4	F37 E41 L86 F87 L88 G89	F37-H168 HydrophobicContact CZ-CB 4.19Å; F37-H168 AromaticContact CZ-CE1 3.94Å; F37-H168 AromaticContact CZ-CG 3.78Å; F37-H168 AromaticContact CZ-ND1 3.47Å; F37-H168 WeakPolarHBondContact CZ-ND1 3.18Å; E41-H168 IonicContact OE1-CE1 3.42Å; E41-H168 PolarHBondContact OE1-CE1 3.31Å; E41-H168 IonicContact OE1-ND1 3.9Å; E41-H168 PolarHBondContact OE1-ND1 2.82Å; L86-H168 HydrophobicContact CD1-CB 3.88Å; F87-H168 PolarHBondContact O-N 2.88Å; L88-H168 CarbonylContact C-O 3.53Å; L88-H168 WeakPolarHBondContact CA-O 3.33Å; L88-H168 HydrophobicContact CD1-CB 4.35Å; G89-H168 PolarHBondContact N-O 3.45Å
169	N	98.8	Very high	98.3	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.027	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.8	171.1	-89.9	-37.7	0	0	0	109.6	G89 M90 M97 C171	G89-N169 WeakPolarHBondContact CA-OD1 3.14Å; G89-N169 WeakPolarHBondContact O-CA 3.37Å; M90-N169 PolarHBondContact N-OD1 2.93Å; M97-N169 HydrophobicContact SD-CB 4.44Å; M97-N169 PolarHBondContact SD-ND2 2.93Å; N169-C171 VanDerWaalsContact C-N 3.3Å; N169-C171 PolarHBondContact O-N 2.84Å
170	L	98.6	Very high	98.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	11%	0.112	C	C	.	.	S	Bend	trans	-56.5	-45.3	174.6	174.6	67.4	0	0	0	112	L88 G89 L197 C200 L204 R226	L88-L170 HydrophobicContact CD1-CB 4.4Å; L88-L170 HydrophobicContact CD2-CB 4.28Å; L88-L170 HydrophobicContact CG-CB 4.36Å; G89-L170 PolarHBondContact O-N 2.92Å; L170-L197 HydrophobicContact CD2-CD2 4.04Å; L170-C200 HydrophobicContact CD1-CB 4.07Å; L170-C200 HydrophobicContact CG-CB 4.18Å; L170-C200 VanDerWaalsContact O-CB 3.23Å; L170-C200 WeakPolarHBondContact O-CB 3.43Å; L170-C200 PolarHBondContact O-SG 3.21Å; L170-C200 VanDerWaalsContact O-SG 3.4Å; L170-L204 HydrophobicContact CD1-CB 4.39Å; L170-L204 HydrophobicContact CD1-CD2 4.02Å; L170-R226 HydrophobicContact CD1-CB 4.44Å; L170-R226 HydrophobicContact CD2-CB 3.44Å; L170-R226 VanDerWaalsContact CD2-CB 3.44Å; L170-R226 HydrophobicContact CD2-CG 3.72Å
171	C	98.7	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.			trans	-120.9	127.7	-179.5	174.6	0	0	0	0	109.8	M90 N91 P92 N169 L173	M90-C171 PolarHBondContact O-N 3.37Å; N91-C171 WeakPolarHBondContact CA-O 3.37Å; N91-C171 HydrophobicContact CB-CB 4.09Å; N91-C171 WeakPolarHBondContact CB-O 3.48Å; P92-C171 VanDerWaalsContact CD-O 3.24Å; P92-C171 WeakPolarHBondContact CD-O 3.38Å; N169-C171 VanDerWaalsContact C-N 3.3Å; N169-C171 PolarHBondContact O-N 2.84Å; C171-L173 VanDerWaalsContact C-N 3.3Å; C171-L173 PolarHBondContact O-N 3.25Å; C171-L173 PolarHBondContact SG-N 2.86Å; C171-L173 VanDerWaalsContact SG-N 3.43Å
172	P	98.7	Very high	98.1	Very high	3 Å²	3	25 Å²	25	2%	0.019	13%	0.132	C	C	.	.			trans	-80	-11.8	179.1	32.7	-35.9	0	0	0	113	L44 L48 P63 L64 P92	L44-P172 HydrophobicContact CD2-CG 4.03Å; L48-P172 HydrophobicContact CD1-CG 3.49Å; L48-P172 VanDerWaalsContact CD1-CG 3.49Å; P63-P172 VanDerWaalsContact CD-O 3.23Å; P63-P172 WeakPolarHBondContact CD-O 3.49Å; L64-P172 HydrophobicContact CD1-CB 3.46Å; L64-P172 VanDerWaalsContact CD1-CB 3.46Å; L64-P172 HydrophobicContact CD1-CG 4.16Å; L64-P172 HydrophobicContact CG-CB 3.72Å; P92-P172 WeakPolarHBondContact CG-O 3.37Å
173	L	98.8	Very high	98	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.042	13%	0.133	C	C	.	.			trans	-85.3	145.1	-174.7	-56.1	-178.4	0	0	0	112.8	L48 I60 N62 N91 C171 F175 L196	L48-L173 HydrophobicContact CB-CD1 4.41Å; L48-L173 HydrophobicContact CD1-CD1 4.15Å; L48-L173 HydrophobicContact CD1-CD2 4.27Å; L48-L173 HydrophobicContact CD1-CG 4Å; L48-L173 HydrophobicContact CD2-CD1 4.24Å; I60-L173 HydrophobicContact CG2-CB 4.32Å; I60-L173 HydrophobicContact CG2-CD1 4.17Å; I60-L173 HydrophobicContact CG2-CD2 4.29Å; I60-L173 HydrophobicContact CG2-CG 4.49Å; N62-L173 HydrophobicContact CB-CD2 3.57Å; N91-L173 WeakPolarHBondContact CB-O 3.25Å; N91-L173 PolarHBondContact ND2-O 3.48Å; C171-L173 VanDerWaalsContact C-N 3.3Å; C171-L173 PolarHBondContact O-N 3.25Å; C171-L173 PolarHBondContact SG-N 2.86Å; C171-L173 VanDerWaalsContact SG-N 3.43Å; L173-F175 HydrophobicContact CB-CE1 4.22Å; L173-F175 HydrophobicContact CB-CE2 3.74Å; L173-F175 HydrophobicContact CB-CZ 3.53Å; L173-F175 HydrophobicContact CD1-CE1 4.13Å; L173-F175 HydrophobicContact CD1-CZ 3.73Å; L173-F175 HydrophobicContact CG-CZ 4.27Å; L173-L196 HydrophobicContact CD1-CD1 4.11Å
174	I	98.6	Very high	97.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.4	165	-179.9	173.8	0	0	0	109.6	I60 Y61 P92 P94 A98 N182	I60-I174 WeakPolarHBondContact CA-O 3.25Å; Y61-I174 HydrophobicContact CD2-CG2 4.1Å; Y61-I174 HydrophobicContact CG-CG2 4.12Å; Y61-I174 PolarHBondContact N-O 3.11Å; Y61-I174 PolarHBondContact O-N 3.01Å; P92-I174 HydrophobicContact CB-CB 4.27Å; P94-I174 HydrophobicContact CB-CD1 3.95Å; A98-I174 HydrophobicContact CB-CD1 4.39Å; A98-I174 HydrophobicContact CB-CG2 4.34Å; I174-N182 WeakPolarHBondContact CG1-OD1 3.34Å
175	F	98.5	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.6	-176.7	-54.3	-87.2	0	0	0	110.4	F53 V57 I60 L173 L183 L188 L196	F53-F175 HydrophobicContact CD1-CE1 4.01Å; F53-F175 HydrophobicContact CD2-CE1 4.15Å; F53-F175 AromaticContact CE1-CE1 3.72Å; F53-F175 HydrophobicContact CE1-CE1 3.72Å; F53-F175 HydrophobicContact CE1-CZ 4.04Å; F53-F175 AromaticContact CE2-CE1 3.85Å; F53-F175 HydrophobicContact CE2-CE1 3.85Å; F53-F175 HydrophobicContact CE2-CZ 4.48Å; F53-F175 HydrophobicContact CG-CE1 4.21Å; F53-F175 AromaticContact CZ-CE1 3.62Å; F53-F175 HydrophobicContact CZ-CE1 3.62Å; F53-F175 AromaticContact CZ-CZ 3.9Å; F53-F175 HydrophobicContact CZ-CZ 3.9Å; V57-F175 HydrophobicContact CG1-CB 4.48Å; V57-F175 HydrophobicContact CG1-CD1 3.99Å; V57-F175 HydrophobicContact CG2-CB 4.48Å; V57-F175 HydrophobicContact CG2-CD1 4.32Å; I60-F175 HydrophobicContact CD1-CD1 4.31Å; I60-F175 HydrophobicContact CD1-CE1 4.24Å; I60-F175 HydrophobicContact CG1-CD1 3.97Å; I60-F175 HydrophobicContact CG1-CE1 4.29Å; I60-F175 HydrophobicContact CG2-CD1 4.17Å; I60-F175 HydrophobicContact CG2-CE1 3.98Å; L173-F175 HydrophobicContact CB-CE1 4.22Å; L173-F175 HydrophobicContact CB-CE2 3.74Å; L173-F175 HydrophobicContact CB-CZ 3.53Å; L173-F175 HydrophobicContact CD1-CE1 4.13Å; L173-F175 HydrophobicContact CD1-CZ 3.73Å; L173-F175 HydrophobicContact CG-CZ 4.27Å; F175-L183 HydrophobicContact CB-CB 4.01Å; F175-L183 PolarHBondContact O-N 3.24Å; F175-L188 HydrophobicContact CB-CD2 4.22Å; F175-L188 HydrophobicContact CD1-CD2 4.32Å; F175-L188 HydrophobicContact CD2-CD1 4.07Å; F175-L188 HydrophobicContact CD2-CD2 4.37Å; F175-L188 HydrophobicContact CE1-CD1 4.4Å; F175-L188 HydrophobicContact CE2-CD1 3.91Å; F175-L188 HydrophobicContact CG-CD1 4.4Å; F175-L188 HydrophobicContact CG-CD2 4.05Å; F175-L188 HydrophobicContact CZ-CD1 4.08Å; F175-L196 HydrophobicContact CE2-CD2 3.75Å; F175-L196 HydrophobicContact CZ-CD1 4.49Å; F175-L196 HydrophobicContact CZ-CD2 3.52Å
176	M	98.4	Very high	97.3	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.7	176.8	-65.5	159.3	-75.1	0	0	111.6	R58 Y59 Y61 R130 K181	R58-M176 PolarHBondContact N-O 3.47Å; Y59-M176 PolarHBondContact N-O 3.02Å; Y59-M176 PolarHBondContact O-N 3.29Å; Y61-M176 HydrophobicContact CD1-CE 3.75Å; Y61-M176 HydrophobicContact CD2-CE 3.63Å; Y61-M176 HydrophobicContact CE1-CE 3.51Å; Y61-M176 HydrophobicContact CE2-CE 3.45Å; Y61-M176 VanDerWaalsContact CE2-CE 3.45Å; Y61-M176 HydrophobicContact CE2-SD 4.32Å; Y61-M176 HydrophobicContact CG-CE 3.78Å; R130-M176 HydrophobicContact CB-SD 3.6Å; R130-M176 HydrophobicContact CG-SD 3.5Å; R130-M176 VanDerWaalsContact CG-SD 3.5Å; M176-K181 CarbonylContact C-O 3.39Å; M176-K181 VanDerWaalsContact CA-O 3.25Å; M176-K181 WeakPolarHBondContact CA-O 3.37Å
177	S	98.1	Very high	97.2	Very high	17 Å²	17	22.9 Å²	22.9	12%	0.119	14%	0.136	C	C	.	.			trans	-74.3	173.6	169.7	75.4	0	0	0	0	111.8	P56 S179 G180 K181	P56-S177 VanDerWaalsContact O-CA 3.31Å; P56-S177 WeakPolarHBondContact O-CA 3.35Å; S177-S179 PolarHBondContact O-N 2.81Å; S177-S179 VanDerWaalsContact O-N 3.09Å; S177-S179 PolarHBondContact OG-N 3.08Å; S177-S179 PolarHBondContact OG-OG 3.19Å; S177-G180 PolarHBondContact O-N 3.13Å; S177-K181 PolarHBondContact N-O 2.83Å; S177-K181 WeakPolarHBondContact OG-CB 3.33Å; S177-K181 PolarHBondContact OG-N 3.2Å
178	A	97.7	Very high	97.1	Very high	70 Å²	70	23.2 Å²	23.2	58%	0.579	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.6	176.7	0	0	0	0	0	114.1	R58 H127 G180	R58-A178 HydrophobicContact CB-CB 4.23Å; R58-A178 HydrophobicContact CG-CB 4.22Å; H127-A178 PolarHBondContact CD2-O 2.92Å; H127-A178 PolarHBondContact NE2-O 3.32Å; A178-G180 VanDerWaalsContact C-N 3.33Å
179	S	97.4	Very high	97	Very high	75 Å²	75	24.7 Å²	24.7	52%	0.524	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.2	176.7	64.9	0	0	0	0	114.2	H127 S177 K181	H127-S179 PolarHBondContact CE1-O 2.88Å; H127-S179 PolarHBondContact NE2-O 3.37Å; S177-S179 PolarHBondContact O-N 2.81Å; S177-S179 VanDerWaalsContact O-N 3.09Å; S177-S179 PolarHBondContact OG-N 3.08Å; S177-S179 PolarHBondContact OG-OG 3.19Å; S179-K181 VanDerWaalsContact C-N 3.31Å
180	G	96.3	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.17	C	C	.	.			trans	78.6	13	-173.1	0	0	0	0	0	113.6	H127 R130 S177 A178 N182	H127-G180 VanDerWaalsContact CE1-CA 3.49Å; H127-G180 WeakPolarHBondContact CE1-CA 3.27Å; H127-G180 PolarHBondContact NE2-N 2.78Å; R130-G180 VanDerWaalsContact CZ-O 3.27Å; R130-G180 PolarHBondContact NE-O 2.8Å; R130-G180 VanDerWaalsContact NE-O 3.1Å; R130-G180 PolarHBondContact NH2-O 3.37Å; S177-G180 PolarHBondContact O-N 3.13Å; A178-G180 VanDerWaalsContact C-N 3.33Å; G180-N182 PolarHBondContact O-N 2.91Å
181	K	96.3	Very high	96.8	Very high	105 Å²	105	30.4 Å²	30.4	46%	0.457	20%	0.197	S	C	.	.			trans	-67.8	127.4	171.2	-176.9	-167.2	164.8	-162	0	108.1	M176 S177 S179 L183 E187	M176-K181 CarbonylContact C-O 3.39Å; M176-K181 VanDerWaalsContact CA-O 3.25Å; M176-K181 WeakPolarHBondContact CA-O 3.37Å; S177-K181 PolarHBondContact N-O 2.83Å; S177-K181 WeakPolarHBondContact OG-CB 3.33Å; S177-K181 PolarHBondContact OG-N 3.2Å; S179-K181 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 3.35Å; K181-E187 IonicContact NZ-OE1 3.23Å; K181-E187 PolarHBondContact NZ-OE1 2.83Å
182	N	95.6	Very high	96.7	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.1	172.5	-177	91.7	0	0	0	110.6	I174 G180	I174-N182 WeakPolarHBondContact CG1-OD1 3.34Å; G180-N182 PolarHBondContact O-N 2.91Å
183	L	96.8	Very high	96.7	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.6	172.2	-58.9	170.7	0	0	0	107.9	P56 V57 F175 K181 E187 L188	P56-L183 HydrophobicContact CB-CD1 4.26Å; P56-L183 HydrophobicContact CG-CD1 3.91Å; P56-L183 HydrophobicContact CG-CD2 4.3Å; V57-L183 HydrophobicContact CG2-CD1 4.06Å; F175-L183 HydrophobicContact CB-CB 4.01Å; F175-L183 PolarHBondContact O-N 3.24Å; K181-L183 PolarHBondContact O-N 3.35Å; L183-E187 HydrophobicContact CD2-CB 4.42Å; L183-L188 HydrophobicContact CB-CD2 4.47Å
184	T	93.5	Very high	96.6	Very high	26 Å²	26	37.7 Å²	37.7	16%	0.16	23%	0.228	C	C	.	.			trans	-81.2	158.2	173.3	57.1	0	0	0	0	110.4	M90 P186 E187	M90-T184 HydrophobicContact CE-CG2 3.53Å; T184-P186 VanDerWaalsContact C-CD 3.43Å; T184-P186 VanDerWaalsContact C-N 3.28Å; T184-P186 VanDerWaalsContact O-N 3.15Å; T184-E187 WeakPolarHBondContact CB-OE2 3.4Å; T184-E187 PolarHBondContact N-OE2 2.96Å; T184-E187 WeakPolarHBondContact O-CA 3.43Å; T184-E187 WeakPolarHBondContact O-CB 3.47Å; T184-E187 PolarHBondContact O-N 3.39Å; T184-E187 PolarHBondContact OG1-OE2 2.84Å
185	P	92.4	Very high	96.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-48.8	-40.8	177.9	-27.4	33.3	0	0	0	114.5	M90 N91 E187 L188 R193 L197	M90-P185 HydrophobicContact CG-CG 4.08Å; M90-P185 HydrophobicContact SD-CG 4.29Å; N91-P185 HydrophobicContact CB-CG 4.5Å; N91-P185 WeakPolarHBondContact OD1-CD 3.34Å; P185-E187 PolarHBondContact O-N 3.48Å; P185-L188 WeakPolarHBondContact O-CB 3.3Å; P185-L188 WeakPolarHBondContact O-CG 3.23Å; P185-L188 PolarHBondContact O-N 2.83Å; P185-L188 VanDerWaalsContact O-N 3.11Å; P185-R193 WeakPolarHBondContact O-CD 3.22Å; P185-R193 WeakPolarHBondContact O-CG 3.24Å; P185-L197 HydrophobicContact CB-CD1 4.43Å; P185-L197 HydrophobicContact CB-CD2 4.37Å
186	P	93.9	Very high	96.6	Very high	62 Å²	62	44.6 Å²	44.6	40%	0.403	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.1	-26.2	173.8	-25.9	36.4	0	0	0	115.5	M90 T184 L188 R193 V222	M90-P186 HydrophobicContact SD-CG 4.48Å; T184-P186 VanDerWaalsContact C-CD 3.43Å; T184-P186 VanDerWaalsContact C-N 3.28Å; T184-P186 VanDerWaalsContact O-N 3.15Å; P186-L188 VanDerWaalsContact C-N 3.3Å; P186-R193 PolarHBondContact O-NH1 3.1Å; P186-V222 HydrophobicContact CG-CG2 3.92Å
187	E	95.4	Very high	96.5	Very high	68 Å²	68	44.6 Å²	44.6	32%	0.318	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-82.2	-4.6	177.9	-65.8	170.5	100.5	0	0	113	K181 L183 T184 P185	K181-E187 IonicContact NZ-OE1 3.23Å; K181-E187 PolarHBondContact NZ-OE1 2.83Å; L183-E187 HydrophobicContact CD2-CB 4.42Å; T184-E187 WeakPolarHBondContact CB-OE2 3.4Å; T184-E187 PolarHBondContact N-OE2 2.96Å; T184-E187 WeakPolarHBondContact O-CA 3.43Å; T184-E187 WeakPolarHBondContact O-CB 3.47Å; T184-E187 PolarHBondContact O-N 3.39Å; T184-E187 PolarHBondContact OG1-OE2 2.84Å; P185-E187 PolarHBondContact O-N 3.48Å
188	L	97.2	Very high	96.5	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-79.9	154	176.9	-58.2	179.9	0	0	0	112	F53 V57 F175 L183 P185 P186 A190 R193 L196	F53-L188 HydrophobicContact CE1-CD1 4.26Å; V57-L188 HydrophobicContact CG2-CD2 3.45Å; V57-L188 VanDerWaalsContact CG2-CD2 3.45Å; F175-L188 HydrophobicContact CB-CD2 4.22Å; F175-L188 HydrophobicContact CD1-CD2 4.32Å; F175-L188 HydrophobicContact CD2-CD1 4.07Å; F175-L188 HydrophobicContact CD2-CD2 4.37Å; F175-L188 HydrophobicContact CE1-CD1 4.4Å; F175-L188 HydrophobicContact CE2-CD1 3.91Å; F175-L188 HydrophobicContact CG-CD1 4.4Å; F175-L188 HydrophobicContact CG-CD2 4.05Å; F175-L188 HydrophobicContact CZ-CD1 4.08Å; L183-L188 HydrophobicContact CB-CD2 4.47Å; P185-L188 WeakPolarHBondContact O-CB 3.3Å; P185-L188 WeakPolarHBondContact O-CG 3.23Å; P185-L188 PolarHBondContact O-N 2.83Å; P185-L188 VanDerWaalsContact O-N 3.11Å; P186-L188 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 2.95Å; L188-R193 HydrophobicContact CB-CB 4.11Å; L188-R193 PolarHBondContact O-NH1 3.46Å; L188-L196 HydrophobicContact CD1-CD2 3.8Å
189	P	96.7	Very high	96.6	Very high	41 Å²	41	45.6 Å²	45.6	27%	0.266	26%	0.257	S	S	.	.			trans	-51.7	136.1	170.7	-26	35.6	0	0	0	111.5	A191 E192 R193	P189-A191 VanDerWaalsContact C-N 3.33Å; P189-A191 PolarHBondContact O-N 3.21Å; P189-E192 HydrophobicContact CB-CB 4.41Å; P189-E192 HydrophobicContact CB-CG 4.26Å; P189-E192 PolarHBondContact O-N 3.19Å; P189-E192 VanDerWaalsContact O-N 3.12Å; P189-R193 WeakPolarHBondContact O-CB 3.19Å; P189-R193 PolarHBondContact O-N 2.73Å
190	A	96.4	Very high	96.6	Very high	57 Å²	57	42 Å²	42	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-57.2	-41.9	-167.2	0	0	0	0	0	113.8	L188 R193 E194	L188-A190 PolarHBondContact O-N 2.95Å; A190-R193 PolarHBondContact O-N 2.75Å; A190-E194 PolarHBondContact O-N 2.81Å
191	A	96.9	Very high	96.7	Very high	71 Å²	71	42.7 Å²	42.7	59%	0.587	24%	0.235	S	C	*	.	H	α-helix	trans	-67.2	-41.2	179.5	0	0	0	0	0	112.6	P189 K195	P189-A191 VanDerWaalsContact C-N 3.33Å; P189-A191 PolarHBondContact O-N 3.21Å; A191-K195 WeakPolarHBondContact O-CG 3.22Å; A191-K195 PolarHBondContact O-N 3.13Å; A191-K195 VanDerWaalsContact O-N 3.15Å
192	E	97.9	Very high	96.8	Very high	44 Å²	44	40.5 Å²	40.5	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-42.2	177	-63.1	174.3	-171.6	0	0	110.9	F53 G54 P189 K195 L196	F53-E192 WeakPolarHBondContact CA-OE2 3.25Å; F53-E192 HydrophobicContact CD1-CB 4.05Å; F53-E192 HydrophobicContact CE1-CB 4.34Å; G54-E192 VanDerWaalsContact N-CD 3.32Å; G54-E192 PolarHBondContact N-OE1 3.3Å; G54-E192 PolarHBondContact N-OE2 2.85Å; P189-E192 HydrophobicContact CB-CB 4.41Å; P189-E192 HydrophobicContact CB-CG 4.26Å; P189-E192 PolarHBondContact O-N 3.19Å; P189-E192 VanDerWaalsContact O-N 3.12Å; E192-K195 PolarHBondContact O-N 3.22Å; E192-L196 WeakPolarHBondContact O-CB 3.38Å; E192-L196 PolarHBondContact O-N 2.84Å
193	R	97.3	Very high	97	Very high	61 Å²	61	40 Å²	40	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-48.1	175	-177.9	179.8	63.6	-129	0.9	112	P185 P186 L188 P189 A190 L196 L197	P185-R193 WeakPolarHBondContact O-CD 3.22Å; P185-R193 WeakPolarHBondContact O-CG 3.24Å; P186-R193 PolarHBondContact O-NH1 3.1Å; L188-R193 HydrophobicContact CB-CB 4.11Å; L188-R193 PolarHBondContact O-NH1 3.46Å; P189-R193 WeakPolarHBondContact O-CB 3.19Å; P189-R193 PolarHBondContact O-N 2.73Å; A190-R193 PolarHBondContact O-N 2.75Å; R193-L196 PolarHBondContact O-N 3.03Å; R193-L197 HydrophobicContact CG-CD1 3.64Å; R193-L197 HydrophobicContact CG-CG 4.27Å; R193-L197 WeakPolarHBondContact O-CB 3.07Å; R193-L197 VanDerWaalsContact O-CG 3.29Å; R193-L197 WeakPolarHBondContact O-CG 3.26Å; R193-L197 PolarHBondContact O-N 2.93Å
194	E	97.1	Very high	97.1	Very high	59 Å²	59	39.8 Å²	39.8	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-68	-39.9	-179.5	-71.1	-48.3	126.9	0	0	111.7	A190 L196 L197 S198 R226 R229	A190-E194 PolarHBondContact O-N 2.81Å; E194-L196 PolarHBondContact O-N 3.43Å; E194-L197 PolarHBondContact O-N 3.21Å; E194-S198 WeakPolarHBondContact O-CB 3.43Å; E194-S198 PolarHBondContact O-N 3.44Å; E194-S198 PolarHBondContact O-OG 3.03Å; E194-S198 VanDerWaalsContact O-OG 3.1Å; E194-R226 IonicContact OE1-CZ 3.86Å; E194-R226 IonicContact OE1-NH1 2.79Å; E194-R226 IonicContact OE1-NH2 2.98Å; E194-R226 PolarHBondContact OE1-NH2 3.35Å; E194-R226 IonicContact OE2-CZ 3.94Å; E194-R226 IonicContact OE2-NH1 2.73Å; E194-R226 PolarHBondContact OE2-NH1 3.02Å; E194-R226 IonicContact OE2-NH2 3.7Å; E194-R226 PolarHBondContact OE2-NH2 3.05Å; E194-R229 IonicContact OE2-CZ 3.95Å; E194-R229 IonicContact OE2-NH1 3.75Å; E194-R229 PolarHBondContact OE2-NH1 3.49Å
195	K	98.1	Very high	97.3	Very high	145 Å²	145	39.7 Å²	39.7	63%	0.63	24%	0.235	S	C	*	.	H	α-helix	trans	-58	-48.7	173.3	-73.5	176.7	-178.6	-177.3	0	111.8	L51 A191 E192 L199	L51-K195 HydrophobicContact CD2-CB 4.43Å; A191-K195 WeakPolarHBondContact O-CG 3.22Å; A191-K195 PolarHBondContact O-N 3.13Å; A191-K195 VanDerWaalsContact O-N 3.15Å; E192-K195 PolarHBondContact O-N 3.22Å; K195-L199 PolarHBondContact O-N 3.45Å
196	L	98.6	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-54.2	176.4	170.8	64.6	0	0	0	111.5	L48 L51 F53 L173 F175 L188 E192 R193 E194 S198 L199 C200	L48-L196 HydrophobicContact CD2-CD1 3.42Å; L48-L196 VanDerWaalsContact CD2-CD1 3.42Å; L51-L196 HydrophobicContact CD1-CB 4.1Å; L51-L196 HydrophobicContact CD1-CD1 3.97Å; F53-L196 HydrophobicContact CE1-CB 4.38Å; F53-L196 HydrophobicContact CE1-CD2 4.27Å; F53-L196 HydrophobicContact CZ-CB 4.4Å; F53-L196 HydrophobicContact CZ-CD1 4.36Å; F53-L196 HydrophobicContact CZ-CD2 4.38Å; L173-L196 HydrophobicContact CD1-CD1 4.11Å; F175-L196 HydrophobicContact CE2-CD2 3.75Å; F175-L196 HydrophobicContact CZ-CD1 4.49Å; F175-L196 HydrophobicContact CZ-CD2 3.52Å; L188-L196 HydrophobicContact CD1-CD2 3.8Å; E192-L196 WeakPolarHBondContact O-CB 3.38Å; E192-L196 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 3.03Å; E194-L196 PolarHBondContact O-N 3.43Å; L196-S198 VanDerWaalsContact C-N 3.33Å; L196-S198 PolarHBondContact O-N 2.98Å; L196-L199 PolarHBondContact O-N 3.01Å; L196-C200 PolarHBondContact O-N 3.49Å; L196-C200 VanDerWaalsContact O-N 3.13Å; L196-C200 PolarHBondContact O-SG 3.09Å
197	L	97.9	Very high	97.8	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-27.7	-172.4	-66.6	178	0	0	0	112.2	L170 P185 R193 E194 L199 C200 D201	L170-L197 HydrophobicContact CD2-CD2 4.04Å; P185-L197 HydrophobicContact CB-CD1 4.43Å; P185-L197 HydrophobicContact CB-CD2 4.37Å; R193-L197 HydrophobicContact CG-CD1 3.64Å; R193-L197 HydrophobicContact CG-CG 4.27Å; R193-L197 WeakPolarHBondContact O-CB 3.07Å; R193-L197 VanDerWaalsContact O-CG 3.29Å; R193-L197 WeakPolarHBondContact O-CG 3.26Å; R193-L197 PolarHBondContact O-N 2.93Å; E194-L197 PolarHBondContact O-N 3.21Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 3.06Å; L197-C200 PolarHBondContact O-N 3.16Å; L197-D201 VanDerWaalsContact O-CB 3.25Å; L197-D201 WeakPolarHBondContact O-CB 3.49Å; L197-D201 PolarHBondContact O-N 3.35Å
198	S	97.9	Very high	98	Very high	62 Å²	62	38.7 Å²	38.7	43%	0.434	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-36.8	171.3	-72.4	0	0	0	0	113	E194 L196 A202	E194-S198 WeakPolarHBondContact O-CB 3.43Å; E194-S198 PolarHBondContact O-N 3.44Å; E194-S198 PolarHBondContact O-OG 3.03Å; E194-S198 VanDerWaalsContact O-OG 3.1Å; L196-S198 VanDerWaalsContact C-N 3.33Å; L196-S198 PolarHBondContact O-N 2.98Å; S198-A202 PolarHBondContact O-N 3.01Å
199	L	98.6	Very high	98	Very high	45 Å²	45	45 Å²	45	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-43.4	174.4	-62.9	176.7	0	0	0	111.1	L44 L47 L48 L51 K195 L196 L197 A202 A203	L44-L199 HydrophobicContact CD1-CB 4.06Å; L47-L199 HydrophobicContact CB-CD1 4.04Å; L47-L199 HydrophobicContact CB-CD2 4.3Å; L47-L199 HydrophobicContact CD1-CD2 4.21Å; L48-L199 HydrophobicContact CD2-CD1 4.3Å; L51-L199 HydrophobicContact CD1-CD1 4.08Å; L51-L199 HydrophobicContact CD2-CD1 4.13Å; L51-L199 HydrophobicContact CG-CD1 4.22Å; K195-L199 PolarHBondContact O-N 3.45Å; L196-L199 PolarHBondContact O-N 3.01Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 3.06Å; L199-A202 PolarHBondContact O-N 2.8Å; L199-A203 PolarHBondContact O-N 3.35Å
200	C	98.7	Very high	98	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-39.8	174.9	-69.2	0	0	0	0	112.8	L170 L196 L197 A202 A203 L204	L170-C200 HydrophobicContact CD1-CB 4.07Å; L170-C200 HydrophobicContact CG-CB 4.18Å; L170-C200 VanDerWaalsContact O-CB 3.23Å; L170-C200 WeakPolarHBondContact O-CB 3.43Å; L170-C200 PolarHBondContact O-SG 3.21Å; L170-C200 VanDerWaalsContact O-SG 3.4Å; L196-C200 PolarHBondContact O-N 3.49Å; L196-C200 VanDerWaalsContact O-N 3.13Å; L196-C200 PolarHBondContact O-SG 3.09Å; L197-C200 PolarHBondContact O-N 3.16Å; C200-A202 VanDerWaalsContact C-N 3.35Å; C200-A202 PolarHBondContact O-N 3.45Å; C200-A203 PolarHBondContact O-N 3.28Å; C200-L204 WeakPolarHBondContact O-CB 3.47Å; C200-L204 PolarHBondContact O-N 2.83Å
201	D	98.5	Very high	98	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-42.1	177.5	-72.3	-14.2	0	0	0	110.5	L197 L204 C205 R226 A230	L197-D201 VanDerWaalsContact O-CB 3.25Å; L197-D201 WeakPolarHBondContact O-CB 3.49Å; L197-D201 PolarHBondContact O-N 3.35Å; D201-L204 PolarHBondContact O-N 3.39Å; D201-C205 PolarHBondContact O-N 2.74Å; D201-C205 PolarHBondContact O-SG 3.05Å; D201-R226 IonicContact OD2-NH1 3.25Å; D201-A230 HydrophobicContact CB-CB 3.6Å
202	A	98.4	Very high	98	Very high	59 Å²	59	44 Å²	44	49%	0.488	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-43.5	175.7	0	0	0	0	0	112.4	S198 L199 C200 L204 C205 K206	S198-A202 PolarHBondContact O-N 3.01Å; L199-A202 PolarHBondContact O-N 2.8Å; C200-A202 VanDerWaalsContact C-N 3.35Å; C200-A202 PolarHBondContact O-N 3.45Å; A202-L204 VanDerWaalsContact C-N 3.34Å; A202-C205 PolarHBondContact O-N 3.23Å; A202-K206 PolarHBondContact O-N 3.2Å
203	A	98.7	Very high	98	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-37.6	176.2	0	0	0	0	0	112.2	L44 L199 C200 C205 K206 V207	L44-A203 HydrophobicContact CB-CB 3.92Å; L44-A203 HydrophobicContact CD1-CB 4Å; L44-A203 HydrophobicContact CD2-CB 3.8Å; L44-A203 HydrophobicContact CG-CB 4.1Å; L199-A203 PolarHBondContact O-N 3.35Å; C200-A203 PolarHBondContact O-N 3.28Å; A203-C205 VanDerWaalsContact C-N 3.28Å; A203-C205 PolarHBondContact O-N 3.02Å; A203-K206 WeakPolarHBondContact O-CB 3.25Å; A203-K206 PolarHBondContact O-N 3.07Å; A203-V207 WeakPolarHBondContact O-CG2 3.46Å; A203-V207 PolarHBondContact O-N 3.22Å
204	L	98.8	Very high	98.1	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-39.1	175.2	176.1	63.4	0	0	0	111.8	L86 L88 L170 C200 D201 A202 V207 V208 A227 A230	L86-L204 HydrophobicContact CD2-CD1 4.15Å; L88-L204 HydrophobicContact CD1-CD1 3.85Å; L88-L204 HydrophobicContact CD2-CD1 3.93Å; L88-L204 HydrophobicContact CD2-CD2 3.72Å; L170-L204 HydrophobicContact CD1-CB 4.39Å; L170-L204 HydrophobicContact CD1-CD2 4.02Å; C200-L204 WeakPolarHBondContact O-CB 3.47Å; C200-L204 PolarHBondContact O-N 2.83Å; D201-L204 PolarHBondContact O-N 3.39Å; A202-L204 VanDerWaalsContact C-N 3.34Å; L204-V207 PolarHBondContact O-N 3.35Å; L204-V208 HydrophobicContact CD1-CG2 4.15Å; L204-V208 HydrophobicContact CG-CG2 4.46Å; L204-V208 WeakPolarHBondContact O-CB 3.2Å; L204-V208 WeakPolarHBondContact O-CG2 3.31Å; L204-V208 PolarHBondContact O-N 2.99Å; L204-A227 HydrophobicContact CD2-CB 3.94Å; L204-A230 HydrophobicContact CD2-CB 4.35Å
205	C	98.6	Very high	98.2	Very high	25 Å²	25	40.7 Å²	40.7	17%	0.169	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-45.1	176.9	-62.5	0	0	0	0	111.1	D201 A202 A203 V207 V208 E209	D201-C205 PolarHBondContact O-N 2.74Å; D201-C205 PolarHBondContact O-SG 3.05Å; A202-C205 PolarHBondContact O-N 3.23Å; A203-C205 VanDerWaalsContact C-N 3.28Å; A203-C205 PolarHBondContact O-N 3.02Å; C205-V207 VanDerWaalsContact C-N 3.35Å; C205-V207 PolarHBondContact O-N 3.42Å; C205-V208 PolarHBondContact O-N 3.5Å; C205-E209 PolarHBondContact O-N 3.5Å
206	K	98.4	Very high	98.2	Very high	100 Å²	100	33.8 Å²	33.8	44%	0.435	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-41	175	-65.2	-179.5	173.1	-177	0	112.3	A40 E43 A202 A203 E209 A210	A40-K206 HydrophobicContact CB-CB 3.9Å; A40-K206 HydrophobicContact CB-CD 4.43Å; E43-K206 IonicContact OE2-NZ 3.19Å; E43-K206 PolarHBondContact OE2-NZ 3.03Å; A202-K206 PolarHBondContact O-N 3.2Å; A203-K206 WeakPolarHBondContact O-CB 3.25Å; A203-K206 PolarHBondContact O-N 3.07Å; K206-E209 PolarHBondContact O-N 3.37Å; K206-A210 VanDerWaalsContact O-CB 3.29Å; K206-A210 WeakPolarHBondContact O-CB 3.08Å; K206-A210 PolarHBondContact O-N 3.07Å
207	V	98.4	Very high	98.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-44.3	176.2	161.6	0	0	0	0	111.4	F37 A40 L86 A203 L204 C205 E209 A210 L211	F37-V207 HydrophobicContact CD2-CB 4.4Å; F37-V207 HydrophobicContact CD2-CG1 3.81Å; F37-V207 HydrophobicContact CD2-CG2 4.1Å; F37-V207 HydrophobicContact CE2-CB 4.28Å; F37-V207 HydrophobicContact CE2-CG1 3.39Å; F37-V207 HydrophobicContact CE2-CG2 3.99Å; F37-V207 HydrophobicContact CZ-CG1 4.36Å; A40-V207 HydrophobicContact CB-CG2 4.27Å; L86-V207 HydrophobicContact CD2-CG1 4.07Å; A203-V207 WeakPolarHBondContact O-CG2 3.46Å; A203-V207 PolarHBondContact O-N 3.22Å; L204-V207 PolarHBondContact O-N 3.35Å; C205-V207 VanDerWaalsContact C-N 3.35Å; C205-V207 PolarHBondContact O-N 3.42Å; V207-E209 VanDerWaalsContact C-N 3.32Å; V207-E209 PolarHBondContact O-N 3.38Å; V207-A210 PolarHBondContact O-N 3.18Å; V207-L211 HydrophobicContact CG1-CD1 3.83Å; V207-L211 HydrophobicContact CG1-CG 4.45Å; V207-L211 WeakPolarHBondContact O-CB 3.49Å; V207-L211 VanDerWaalsContact O-CG 3.25Å; V207-L211 WeakPolarHBondContact O-CG 3.25Å; V207-L211 PolarHBondContact O-N 3.04Å
208	V	98.4	Very high	98.3	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-41	178.1	164.3	0	0	0	0	111.1	L86 L204 C205 D212 V213 V216 L231 V239	L86-V208 HydrophobicContact CD2-CG2 4.08Å; L204-V208 HydrophobicContact CD1-CG2 4.15Å; L204-V208 HydrophobicContact CG-CG2 4.46Å; L204-V208 WeakPolarHBondContact O-CB 3.2Å; L204-V208 WeakPolarHBondContact O-CG2 3.31Å; L204-V208 PolarHBondContact O-N 2.99Å; C205-V208 PolarHBondContact O-N 3.5Å; V208-D212 PolarHBondContact O-N 3.26Å; V208-V213 HydrophobicContact CB-CG2 4.37Å; V208-V213 HydrophobicContact CG1-CG2 3.96Å; V208-V213 HydrophobicContact CG2-CG2 4.27Å; V208-V216 HydrophobicContact CG2-CG2 3.83Å; V208-L231 HydrophobicContact CB-CD2 4.26Å; V208-L231 HydrophobicContact CG1-CD2 4.18Å; V208-L231 HydrophobicContact CG2-CD2 4.18Å; V208-V239 HydrophobicContact CG1-CG1 4.28Å; V208-V239 HydrophobicContact CG1-CG2 3.89Å
209	E	96.9	Very high	98.3	Very high	139 Å²	139	30.8 Å²	30.8	65%	0.65	17%	0.172	S	C	*	.	H	α-helix	trans	-67.2	-41.8	174.5	-178	177.7	-169.6	0	0	112.7	C205 K206 V207 L211 D212	C205-E209 PolarHBondContact O-N 3.5Å; K206-E209 PolarHBondContact O-N 3.37Å; V207-E209 VanDerWaalsContact C-N 3.32Å; V207-E209 PolarHBondContact O-N 3.38Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 3.05Å; E209-D212 PolarHBondContact O-N 3.3Å
210	A	97.1	Very high	98.3	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-37.3	177.8	0	0	0	0	0	112.3	P33 R36 K206 V207	P33-A210 WeakPolarHBondContact CB-O 3.24Å; R36-A210 HydrophobicContact CB-CB 3.8Å; R36-A210 PolarHBondContact NH2-O 3.44Å; K206-A210 VanDerWaalsContact O-CB 3.29Å; K206-A210 WeakPolarHBondContact O-CB 3.08Å; K206-A210 PolarHBondContact O-N 3.07Å; V207-A210 PolarHBondContact O-N 3.18Å
211	L	97.4	Very high	98.2	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-83.6	-18.5	179.4	-64.5	172.5	0	0	0	113.8	F37 C79 K83 L86 F166 V207 E209 V213	F37-L211 HydrophobicContact CD2-CD1 4.27Å; F37-L211 HydrophobicContact CD2-CD2 4.04Å; F37-L211 HydrophobicContact CD2-CG 4.08Å; F37-L211 HydrophobicContact CE2-CD1 4.12Å; F37-L211 HydrophobicContact CE2-CD2 4.47Å; F37-L211 HydrophobicContact CE2-CG 4.43Å; C79-L211 WeakPolarHBondContact SG-CD2 3.29Å; K83-L211 HydrophobicContact CB-CB 4.46Å; K83-L211 HydrophobicContact CG-CD2 4.22Å; L86-L211 HydrophobicContact CB-CD1 4.47Å; L86-L211 HydrophobicContact CD1-CD1 3.82Å; L86-L211 HydrophobicContact CD2-CD1 4.15Å; L86-L211 HydrophobicContact CG-CD1 4.37Å; F166-L211 HydrophobicContact CB-CD1 4.4Å; F166-L211 HydrophobicContact CB-CD2 4.42Å; F166-L211 HydrophobicContact CD1-CD1 4.15Å; F166-L211 HydrophobicContact CD1-CD2 4.07Å; F166-L211 HydrophobicContact CG-CD2 4.29Å; V207-L211 HydrophobicContact CG1-CD1 3.83Å; V207-L211 HydrophobicContact CG1-CG 4.45Å; V207-L211 WeakPolarHBondContact O-CB 3.49Å; V207-L211 VanDerWaalsContact O-CG 3.25Å; V207-L211 WeakPolarHBondContact O-CG 3.25Å; V207-L211 PolarHBondContact O-N 3.04Å; E209-L211 VanDerWaalsContact C-N 3.29Å; E209-L211 PolarHBondContact O-N 3.05Å; L211-V213 VanDerWaalsContact C-N 3.29Å; L211-V213 HydrophobicContact CB-CG1 3.75Å; L211-V213 HydrophobicContact CD1-CG1 4.47Å; L211-V213 PolarHBondContact O-N 2.93Å
212	D	96.8	Very high	98	Very high	137 Å²	137	37 Å²	37	73%	0.733	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	44.1	-173.2	-167.3	33.3	0	0	0	113.2	V208 E209	V208-D212 PolarHBondContact O-N 3.26Å; E209-D212 PolarHBondContact O-N 3.3Å
213	V	98.4	Very high	98	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.036	18%	0.181	C	C	.	.			trans	-83.8	144.9	-178.2	-69.6	0	0	0	0	111.9	K83 L86 V208 L211 V216 V239	K83-V213 HydrophobicContact CB-CG1 3.78Å; L86-V213 HydrophobicContact CB-CG1 4.3Å; L86-V213 HydrophobicContact CB-CG2 4.1Å; V208-V213 HydrophobicContact CB-CG2 4.37Å; V208-V213 HydrophobicContact CG1-CG2 3.96Å; V208-V213 HydrophobicContact CG2-CG2 4.27Å; L211-V213 VanDerWaalsContact C-N 3.29Å; L211-V213 HydrophobicContact CB-CG1 3.75Å; L211-V213 HydrophobicContact CD1-CG1 4.47Å; L211-V213 PolarHBondContact O-N 2.93Å; V213-V216 HydrophobicContact CG2-CG2 4.44Å; V213-V239 WeakPolarHBondContact O-CG2 3.38Å
214	S	98.3	Very high	98	Very high	68 Å²	68	34.9 Å²	34.9	48%	0.476	18%	0.182	S	C	.	.	S	Bend	trans	-96.1	-10.7	174	56.9	0	0	0	0	113.4	T84 V239 R240	T84-S214 PolarHBondContact O-N 3.43Å; T84-S214 PolarHBondContact O-OG 3.26Å; S214-V239 WeakPolarHBondContact O-CA 3.32Å; S214-R240 PolarHBondContact O-N 2.9Å
215	M	98.8	Very high	98	Very high	21 Å²	21	40.7 Å²	40.7	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.5	178	-169.5	-176.6	-58	0	0	112.3	T84 V85 L86 I217 R240 L269 V271	T84-M215 PolarHBondContact O-N 3.48Å; V85-M215 CarbonylContact C-O 3.57Å; V85-M215 WeakPolarHBondContact CA-O 3.46Å; V85-M215 HydrophobicContact CG2-CB 4.38Å; L86-M215 PolarHBondContact N-O 2.74Å; M215-I217 HydrophobicContact CG-CG1 4.03Å; M215-I217 HydrophobicContact SD-CD1 3.82Å; M215-I217 HydrophobicContact SD-CG1 3.78Å; M215-R240 CarbonylContact C-O 3.53Å; M215-R240 VanDerWaalsContact CA-O 3.26Å; M215-R240 WeakPolarHBondContact CA-O 3.45Å; M215-R240 HydrophobicContact CG-CB 4.42Å; M215-R240 WeakPolarHBondContact CG-O 3.22Å; M215-L269 HydrophobicContact SD-CD1 4.45Å; M215-V271 HydrophobicContact SD-CG2 4.17Å
216	V	98.9	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.2	165.6	179.8	0	0	0	0	109.1	L86 L88 V208 V213 A227 L231 V239 R240 V241 E242	L86-V216 HydrophobicContact CB-CG2 4.3Å; L86-V216 HydrophobicContact CD2-CG2 4.38Å; L86-V216 CarbonylContact O-C 3.3Å; L86-V216 WeakPolarHBondContact O-CA 3.16Å; L88-V216 HydrophobicContact CB-CG1 4.06Å; L88-V216 HydrophobicContact CD2-CG1 4.36Å; V208-V216 HydrophobicContact CG2-CG2 3.83Å; V213-V216 HydrophobicContact CG2-CG2 4.44Å; V216-A227 HydrophobicContact CG1-CB 3.9Å; V216-L231 HydrophobicContact CG2-CD1 4.1Å; V216-V239 HydrophobicContact CG2-CG1 3.81Å; V216-R240 PolarHBondContact N-O 3.17Å; V216-V241 HydrophobicContact CB-CG2 4.47Å; V216-V241 WeakPolarHBondContact O-CA 3.23Å; V216-E242 PolarHBondContact O-N 3.4Å
217	I	98.9	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	104.9	176.6	-57.9	179.4	0	0	0	108.8	V85 L86 F87 L88 M215 V219 E242 V244 L266 L269 V271	V85-I217 HydrophobicContact CG1-CD1 3.52Å; V85-I217 HydrophobicContact CG1-CG1 3.87Å; L86-I217 PolarHBondContact O-N 3.07Å; F87-I217 WeakPolarHBondContact CA-O 3Å; F87-I217 HydrophobicContact CD1-CB 4.04Å; F87-I217 HydrophobicContact CD1-CG2 4.08Å; F87-I217 HydrophobicContact CE1-CB 4.22Å; F87-I217 HydrophobicContact CE1-CD1 3.96Å; F87-I217 HydrophobicContact CE1-CG2 4.1Å; F87-I217 HydrophobicContact CZ-CD1 4.12Å; L88-I217 PolarHBondContact N-O 3.04Å; M215-I217 HydrophobicContact CG-CG1 4.03Å; M215-I217 HydrophobicContact SD-CD1 3.82Å; M215-I217 HydrophobicContact SD-CG1 3.78Å; I217-V219 PolarHBondContact O-N 2.86Å; I217-E242 CarbonylContact C-O 3.52Å; I217-E242 WeakPolarHBondContact CA-O 3.13Å; I217-V244 HydrophobicContact CG2-CB 4.24Å; I217-V244 HydrophobicContact CG2-CG1 3.63Å; I217-V244 HydrophobicContact CG2-CG2 3.83Å; I217-L266 HydrophobicContact CD1-CD2 3.97Å; I217-L269 HydrophobicContact CD1-CD1 3.97Å; I217-L269 HydrophobicContact CG1-CD1 4.37Å; I217-V271 HydrophobicContact CD1-CG2 3.88Å
218	G	98.9	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.9	172.3	0	0	0	0	0	111.5	G220 E242 G243 V244	G218-G220 PolarHBondContact O-N 3.39Å; G218-G220 VanDerWaalsContact O-N 3.13Å; G218-E242 PolarHBondContact N-O 2.64Å; G218-G243 WeakPolarHBondContact O-CA 3.28Å; G218-V244 PolarHBondContact O-N 3.4Å
219	V	98.7	Very high	97.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	88.8	173.2	-174.4	0	0	0	0	108.2	F87 L88 F104 F147 I217 V244 H246	F87-V219 HydrophobicContact CB-CG2 4.38Å; F87-V219 HydrophobicContact CD1-CG2 4.26Å; L88-V219 PolarHBondContact O-N 2.91Å; F104-V219 HydrophobicContact CE1-CG1 4.16Å; F104-V219 HydrophobicContact CE2-CB 4.26Å; F104-V219 HydrophobicContact CE2-CG1 4.36Å; F104-V219 HydrophobicContact CE2-CG2 4.26Å; F104-V219 HydrophobicContact CZ-CB 3.83Å; F104-V219 HydrophobicContact CZ-CG1 3.58Å; F104-V219 HydrophobicContact CZ-CG2 4.27Å; F147-V219 HydrophobicContact CE2-CG2 4.02Å; I217-V219 PolarHBondContact O-N 2.86Å; V219-V244 HydrophobicContact CB-CG2 4.36Å; V219-V244 HydrophobicContact CG1-CG2 4.41Å; V219-V244 HydrophobicContact CG2-CG2 4.05Å; V219-H246 PolarHBondContact O-CD2 2.89Å
220	G	97.8	Very high	98	Very high	13 Å²	13	40.8 Å²	40.8	13%	0.134	20%	0.198	C	C	.	.	S	Bend	trans	95.7	162.1	-171.1	0	0	0	0	0	113.9	G218 V222 A223 E224 V244	G218-G220 PolarHBondContact O-N 3.39Å; G218-G220 VanDerWaalsContact O-N 3.13Å; G220-V222 PolarHBondContact O-N 2.99Å; G220-A223 PolarHBondContact O-N 2.86Å; G220-E224 PolarHBondContact O-N 3.36Å; G220-E224 VanDerWaalsContact O-N 3.16Å; G220-V244 PolarHBondContact N-O 3.06Å
221	K	96.8	Very high	98	Very high	133 Å²	133	40.8 Å²	40.8	58%	0.578	20%	0.198	S	C	*	.	H	α-helix	trans	-66.4	-35.1	-167.5	-72.8	-70.7	168.1	-160.4	0	114.7	E224 Q225	K221-E224 IonicContact NZ-OE1 3.87Å; K221-E224 IonicContact NZ-OE2 3.11Å; K221-E224 PolarHBondContact NZ-OE2 3.26Å; K221-Q225 WeakPolarHBondContact O-CB 3.41Å; K221-Q225 VanDerWaalsContact O-CG 3.25Å; K221-Q225 WeakPolarHBondContact O-CG 3.44Å; K221-Q225 PolarHBondContact O-N 3.28Å
222	V	95.1	Very high	98.1	Very high	43 Å²	43	44.9 Å²	44.9	26%	0.261	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-49.3	179.9	178	0	0	0	0	110.7	M90 P186 G220 Q225 R226	M90-V222 HydrophobicContact CG-CB 4.43Å; M90-V222 HydrophobicContact CG-CG1 4.03Å; M90-V222 HydrophobicContact SD-CB 3.84Å; M90-V222 HydrophobicContact SD-CG1 3.71Å; M90-V222 HydrophobicContact SD-CG2 4.02Å; P186-V222 HydrophobicContact CG-CG2 3.92Å; G220-V222 PolarHBondContact O-N 2.99Å; V222-Q225 PolarHBondContact O-N 2.82Å; V222-R226 HydrophobicContact CG1-CG 4.42Å; V222-R226 WeakPolarHBondContact O-CB 3.38Å; V222-R226 VanDerWaalsContact O-CG 3.3Å; V222-R226 WeakPolarHBondContact O-CG 3.46Å; V222-R226 PolarHBondContact O-N 2.83Å
223	A	98.1	Very high	98.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-43.2	179.4	0	0	0	0	0	111.6	L88 G220 R226 A227	L88-A223 HydrophobicContact CD2-CB 4.47Å; L88-A223 HydrophobicContact CG-CB 4.37Å; L88-A223 WeakPolarHBondContact O-CB 3.35Å; G220-A223 PolarHBondContact O-N 2.86Å; A223-R226 PolarHBondContact O-N 3.14Å; A223-A227 VanDerWaalsContact O-CB 3.31Å; A223-A227 WeakPolarHBondContact O-CB 3.04Å; A223-A227 PolarHBondContact O-N 3.29Å
224	E	98.6	Very high	98	Very high	24 Å²	24	45.1 Å²	45.1	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-52.5	176.1	-177.8	-166.1	160.6	0	0	111.8	G220 K221 R226 R228 V241	G220-E224 PolarHBondContact O-N 3.36Å; G220-E224 VanDerWaalsContact O-N 3.16Å; K221-E224 IonicContact NZ-OE1 3.87Å; K221-E224 IonicContact NZ-OE2 3.11Å; K221-E224 PolarHBondContact NZ-OE2 3.26Å; E224-R226 PolarHBondContact O-N 3.28Å; E224-R228 WeakPolarHBondContact O-CB 3.48Å; E224-R228 PolarHBondContact O-N 2.85Å; E224-R228 IonicContact OE1-NH2 2.73Å; E224-R228 PolarHBondContact OE1-NH2 2.85Å; E224-V241 HydrophobicContact CG-CG1 4.47Å
225	Q	98	Very high	97.9	Very high	125 Å²	125	44.3 Å²	44.3	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-67.4	-38.5	-176.1	-72.2	174.3	-14	0	0	112.1	K221 V222 R228 R229	K221-Q225 WeakPolarHBondContact O-CB 3.41Å; K221-Q225 VanDerWaalsContact O-CG 3.25Å; K221-Q225 WeakPolarHBondContact O-CG 3.44Å; K221-Q225 PolarHBondContact O-N 3.28Å; V222-Q225 PolarHBondContact O-N 2.82Å; Q225-R228 PolarHBondContact O-N 3.14Å; Q225-R229 WeakPolarHBondContact O-CB 3.25Å; Q225-R229 PolarHBondContact O-N 2.82Å
226	R	97.4	Very high	97.7	Very high	36 Å²	36	45.8 Å²	45.8	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-44.9	178.1	-74	-73.6	169.2	168.8	-1.8	111.8	L170 E194 D201 V222 A223 E224 R228 R229 A230	L170-R226 HydrophobicContact CD1-CB 4.44Å; L170-R226 HydrophobicContact CD2-CB 3.44Å; L170-R226 VanDerWaalsContact CD2-CB 3.44Å; L170-R226 HydrophobicContact CD2-CG 3.72Å; E194-R226 IonicContact OE1-CZ 3.86Å; E194-R226 IonicContact OE1-NH1 2.79Å; E194-R226 IonicContact OE1-NH2 2.98Å; E194-R226 PolarHBondContact OE1-NH2 3.35Å; E194-R226 IonicContact OE2-CZ 3.94Å; E194-R226 IonicContact OE2-NH1 2.73Å; E194-R226 PolarHBondContact OE2-NH1 3.02Å; E194-R226 IonicContact OE2-NH2 3.7Å; E194-R226 PolarHBondContact OE2-NH2 3.05Å; D201-R226 IonicContact OD2-NH1 3.25Å; V222-R226 HydrophobicContact CG1-CG 4.42Å; V222-R226 WeakPolarHBondContact O-CB 3.38Å; V222-R226 VanDerWaalsContact O-CG 3.3Å; V222-R226 WeakPolarHBondContact O-CG 3.46Å; V222-R226 PolarHBondContact O-N 2.83Å; A223-R226 PolarHBondContact O-N 3.14Å; E224-R226 PolarHBondContact O-N 3.28Å; R226-R228 VanDerWaalsContact C-N 3.31Å; R226-R228 PolarHBondContact O-N 3.04Å; R226-R229 PolarHBondContact O-N 3.12Å; R226-A230 WeakPolarHBondContact O-CB 3.39Å; R226-A230 PolarHBondContact O-N 3.3Å
227	A	98.6	Very high	97.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-45.8	173.4	0	0	0	0	0	111.9	L88 L204 V216 A223 R229 A230 L231 V241	L88-A227 HydrophobicContact CD2-CB 3.87Å; L204-A227 HydrophobicContact CD2-CB 3.94Å; V216-A227 HydrophobicContact CG1-CB 3.9Å; A223-A227 VanDerWaalsContact O-CB 3.31Å; A223-A227 WeakPolarHBondContact O-CB 3.04Å; A223-A227 PolarHBondContact O-N 3.29Å; A227-R229 PolarHBondContact O-N 3.06Å; A227-A230 PolarHBondContact O-N 2.85Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 VanDerWaalsContact O-CG 3.32Å; A227-L231 WeakPolarHBondContact O-CG 3.25Å; A227-L231 PolarHBondContact O-N 2.83Å; A227-V241 HydrophobicContact CB-CG1 4Å
228	R	98.6	Very high	97	Very high	110 Å²	110	58.8 Å²	58.8	42%	0.415	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-45	178.1	-166.3	180	-55	-72.7	-2	112	E224 Q225 R226 S232 V241	E224-R228 WeakPolarHBondContact O-CB 3.48Å; E224-R228 PolarHBondContact O-N 2.85Å; E224-R228 IonicContact OE1-NH2 2.73Å; E224-R228 PolarHBondContact OE1-NH2 2.85Å; Q225-R228 PolarHBondContact O-N 3.14Å; R226-R228 VanDerWaalsContact C-N 3.31Å; R226-R228 PolarHBondContact O-N 3.04Å; R228-S232 WeakPolarHBondContact O-CB 3.34Å; R228-S232 PolarHBondContact O-N 3.16Å; R228-S232 VanDerWaalsContact O-N 3.13Å; R228-V241 HydrophobicContact CB-CB 4.31Å; R228-V241 HydrophobicContact CB-CG1 4.05Å; R228-V241 VanDerWaalsContact CZ-O 3.31Å; R228-V241 PolarHBondContact NH1-O 2.81Å; R228-V241 PolarHBondContact NH2-O 2.95Å
229	R	97.9	Very high	96.9	Very high	123 Å²	123	59.8 Å²	59.8	46%	0.464	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-50.6	178	-178	-172.3	176.1	-155.4	2.2	111.5	E194 Q225 R226 A227 S232 A233	E194-R229 IonicContact OE2-CZ 3.95Å; E194-R229 IonicContact OE2-NH1 3.75Å; E194-R229 PolarHBondContact OE2-NH1 3.49Å; Q225-R229 WeakPolarHBondContact O-CB 3.25Å; Q225-R229 PolarHBondContact O-N 2.82Å; R226-R229 PolarHBondContact O-N 3.12Å; A227-R229 PolarHBondContact O-N 3.06Å; R229-S232 PolarHBondContact O-N 3.25Å; R229-A233 WeakPolarHBondContact O-CB 3.41Å; R229-A233 PolarHBondContact O-N 2.84Å
230	A	98.3	Very high	96.9	Very high	6 Å²	6	65.6 Å²	65.6	5%	0.05	36%	0.363	C	S	.	.	H	α-helix	trans	-59.6	-52.8	-176.1	0	0	0	0	0	111.5	D201 L204 R226 A227 S232 A233 A234	D201-A230 HydrophobicContact CB-CB 3.6Å; L204-A230 HydrophobicContact CD2-CB 4.35Å; R226-A230 WeakPolarHBondContact O-CB 3.39Å; R226-A230 PolarHBondContact O-N 3.3Å; A227-A230 PolarHBondContact O-N 2.85Å; A230-S232 PolarHBondContact O-N 3.49Å; A230-A233 PolarHBondContact O-N 2.81Å; A230-A234 WeakPolarHBondContact O-CB 3.28Å; A230-A234 PolarHBondContact O-N 3.47Å
231	L	98.4	Very high	97	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-65.7	-39.5	-178	-64.2	178.9	0	0	0	112	V208 V216 A227 A234 G235 V236 V239 V241	V208-L231 HydrophobicContact CB-CD2 4.26Å; V208-L231 HydrophobicContact CG1-CD2 4.18Å; V208-L231 HydrophobicContact CG2-CD2 4.18Å; V216-L231 HydrophobicContact CG2-CD1 4.1Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 VanDerWaalsContact O-CG 3.32Å; A227-L231 WeakPolarHBondContact O-CG 3.25Å; A227-L231 PolarHBondContact O-N 2.83Å; L231-A234 PolarHBondContact O-N 3.48Å; L231-G235 PolarHBondContact O-N 3.42Å; L231-V236 HydrophobicContact CB-CB 4.16Å; L231-V236 HydrophobicContact CD2-CB 4.22Å; L231-V236 HydrophobicContact CD2-CG1 4.32Å; L231-V236 HydrophobicContact CD2-CG2 4.26Å; L231-V236 PolarHBondContact O-N 2.95Å; L231-V239 HydrophobicContact CD1-CB 4.21Å; L231-V239 HydrophobicContact CD1-CG1 3.82Å; L231-V241 HydrophobicContact CD1-CG2 3.73Å
232	S	97.8	Very high	97.1	Very high	92 Å²	92	60.8 Å²	60.8	64%	0.643	34%	0.339	S	S	*	.	H	α-helix	trans	-64.9	-40.9	175.1	-176.9	0	0	0	0	112.4	R228 R229 A230 A234 G235	R228-S232 WeakPolarHBondContact O-CB 3.34Å; R228-S232 PolarHBondContact O-N 3.16Å; R228-S232 VanDerWaalsContact O-N 3.13Å; R229-S232 PolarHBondContact O-N 3.25Å; A230-S232 PolarHBondContact O-N 3.49Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 3.04Å; S232-G235 PolarHBondContact O-N 2.93Å
233	A	97.4	Very high	97.2	Very high	89 Å²	89	59.2 Å²	59.2	74%	0.736	33%	0.332	S	S	*	.	H	α-helix	trans	-68.5	-30.6	178.8	0	0	0	0	0	112.4	R229 A230 G235	R229-A233 WeakPolarHBondContact O-CB 3.41Å; R229-A233 PolarHBondContact O-N 2.84Å; A230-A233 PolarHBondContact O-N 2.81Å; A233-G235 VanDerWaalsContact C-N 3.29Å
234	A	96.9	Very high	97.2	Very high	59 Å²	59	59.9 Å²	59.9	49%	0.488	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.1	174.3	0	0	0	0	0	113.8	A230 L231 S232 V236	A230-A234 WeakPolarHBondContact O-CB 3.28Å; A230-A234 PolarHBondContact O-N 3.47Å; L231-A234 PolarHBondContact O-N 3.48Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 3.04Å; A234-V236 VanDerWaalsContact C-N 3.3Å; A234-V236 HydrophobicContact CB-CG2 4.1Å; A234-V236 PolarHBondContact O-N 3.42Å
235	G	95.9	Very high	97.2	Very high	52 Å²	52	61 Å²	61	54%	0.536	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	18.2	-179	0	0	0	0	0	114.6	L231 S232 A233 V237	L231-G235 PolarHBondContact O-N 3.42Å; S232-G235 PolarHBondContact O-N 2.93Å; A233-G235 VanDerWaalsContact C-N 3.29Å; G235-V237 PolarHBondContact O-N 2.88Å
236	V	94.3	Very high	97.2	Very high	52 Å²	52	57.6 Å²	57.6	32%	0.315	33%	0.326	S	S	.	.			trans	-79.4	101.6	178.3	-178.3	0	0	0	0	109.3	L231 A234 V239	L231-V236 HydrophobicContact CB-CB 4.16Å; L231-V236 HydrophobicContact CD2-CB 4.22Å; L231-V236 HydrophobicContact CD2-CG1 4.32Å; L231-V236 HydrophobicContact CD2-CG2 4.26Å; L231-V236 PolarHBondContact O-N 2.95Å; A234-V236 VanDerWaalsContact C-N 3.3Å; A234-V236 HydrophobicContact CB-CG2 4.1Å; A234-V236 PolarHBondContact O-N 3.42Å; V236-V239 HydrophobicContact CG1-CB 3.94Å; V236-V239 HydrophobicContact CG1-CG2 3.5Å
237	V	89.5	Confident	97.2	Very high	126 Å²	126	55.9 Å²	55.9	76%	0.764	32%	0.319	S	S	*	.			trans	-97.4	-20.6	-174.4	-65.6	0	0	0	0	114.6	G235 V239	G235-V237 PolarHBondContact O-N 2.88Å; V237-V239 VanDerWaalsContact C-N 3.33Å; V237-V239 PolarHBondContact O-N 2.91Å
238	N	93.3	Very high	97	Very high	146 Å²	146	57 Å²	57	78%	0.781	33%	0.327	S	S	*	.	S	Bend	trans	-89	3.8	-174.5	-65.9	-27.3	0	0	0	114
239	V	98.3	Very high	96.6	Very high	22 Å²	22	54.6 Å²	54.6	13%	0.133	33%	0.326	C	S	.	.			trans	-111.3	113.6	-178	-177	0	0	0	0	109.9	V208 V213 S214 V216 L231 V236 V237	V208-V239 HydrophobicContact CG1-CG1 4.28Å; V208-V239 HydrophobicContact CG1-CG2 3.89Å; V213-V239 WeakPolarHBondContact O-CG2 3.38Å; S214-V239 WeakPolarHBondContact O-CA 3.32Å; V216-V239 HydrophobicContact CG2-CG1 3.81Å; L231-V239 HydrophobicContact CD1-CB 4.21Å; L231-V239 HydrophobicContact CD1-CG1 3.82Å; V236-V239 HydrophobicContact CG1-CB 3.94Å; V236-V239 HydrophobicContact CG1-CG2 3.5Å; V237-V239 VanDerWaalsContact C-N 3.33Å; V237-V239 PolarHBondContact O-N 2.91Å
240	R	98.4	Very high	96.2	Very high	122 Å²	122	57 Å²	57	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.6	177	-179.3	177.1	175.3	-174.2	2.2	110.2	S214 M215 V216 E242	S214-R240 PolarHBondContact O-N 2.9Å; M215-R240 CarbonylContact C-O 3.53Å; M215-R240 VanDerWaalsContact CA-O 3.26Å; M215-R240 WeakPolarHBondContact CA-O 3.45Å; M215-R240 HydrophobicContact CG-CB 4.42Å; M215-R240 WeakPolarHBondContact CG-O 3.22Å; V216-R240 PolarHBondContact N-O 3.17Å; R240-E242 HydrophobicContact CG-CG 4.05Å; R240-E242 IonicContact CZ-OE1 3.45Å; R240-E242 IonicContact NE-OE1 2.96Å; R240-E242 PolarHBondContact NE-OE1 3.35Å; R240-E242 IonicContact NH2-OE1 3.06Å; R240-E242 PolarHBondContact NH2-OE1 2.85Å
241	V	98.8	Very high	95.9	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.1	173.6	-174.7	0	0	0	0	111.1	V216 E224 A227 R228 L231	V216-V241 HydrophobicContact CB-CG2 4.47Å; V216-V241 WeakPolarHBondContact O-CA 3.23Å; E224-V241 HydrophobicContact CG-CG1 4.47Å; A227-V241 HydrophobicContact CB-CG1 4Å; R228-V241 HydrophobicContact CB-CB 4.31Å; R228-V241 HydrophobicContact CB-CG1 4.05Å; R228-V241 VanDerWaalsContact CZ-O 3.31Å; R228-V241 PolarHBondContact NH1-O 2.81Å; R228-V241 PolarHBondContact NH2-O 2.95Å; L231-V241 HydrophobicContact CD1-CG2 3.73Å
242	E	98.7	Very high	95.5	Very high	36 Å²	36	63 Å²	63	17%	0.168	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	170.1	179.8	-71.1	-73	162.7	0	0	110.9	V216 I217 G218 R240 K265 L269	V216-E242 PolarHBondContact O-N 3.4Å; I217-E242 CarbonylContact C-O 3.52Å; I217-E242 WeakPolarHBondContact CA-O 3.13Å; G218-E242 PolarHBondContact N-O 2.64Å; R240-E242 HydrophobicContact CG-CG 4.05Å; R240-E242 IonicContact CZ-OE1 3.45Å; R240-E242 IonicContact NE-OE1 2.96Å; R240-E242 PolarHBondContact NE-OE1 3.35Å; R240-E242 IonicContact NH2-OE1 3.06Å; R240-E242 PolarHBondContact NH2-OE1 2.85Å; E242-K265 IonicContact OE2-NZ 3.11Å; E242-K265 PolarHBondContact OE2-NZ 3.43Å; E242-L269 HydrophobicContact CB-CD1 3.85Å; E242-L269 HydrophobicContact CB-CD2 4.08Å; E242-L269 HydrophobicContact CG-CD1 4.24Å; E242-L269 HydrophobicContact CG-CD2 3.55Å
243	G	98.3	Very high	95.1	Very high	11 Å²	11	63.4 Å²	63.4	11%	0.113	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.6	178.5	0	0	0	0	0	113	G218 K265	G218-G243 WeakPolarHBondContact O-CA 3.28Å; G243-K265 WeakPolarHBondContact O-CE 3.31Å
244	V	98.4	Very high	94.9	Very high	15 Å²	15	59.3 Å²	59.3	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159	165.7	-65.5	0	0	0	0	110	I217 G218 V219 G220 K265 L266	I217-V244 HydrophobicContact CG2-CB 4.24Å; I217-V244 HydrophobicContact CG2-CG1 3.63Å; I217-V244 HydrophobicContact CG2-CG2 3.83Å; G218-V244 PolarHBondContact O-N 3.4Å; V219-V244 HydrophobicContact CB-CG2 4.36Å; V219-V244 HydrophobicContact CG1-CG2 4.41Å; V219-V244 HydrophobicContact CG2-CG2 4.05Å; G220-V244 PolarHBondContact N-O 3.06Å; V244-K265 HydrophobicContact CG1-CB 4.36Å; V244-K265 HydrophobicContact CG1-CG 3.8Å; V244-L266 HydrophobicContact CG1-CD2 4.26Å
245	M	97.8	Very high	94.7	Very high	48 Å²	48	60.3 Å²	60.3	24%	0.236	33%	0.329	C	S	.	.			trans	-62.2	137.8	175.9	-174	178.9	-69.3	0	0	110.5	N251 L253 A254 W258 V261	M245-N251 WeakPolarHBondContact CG-ND2 3.23Å; M245-N251 PolarHBondContact SD-ND2 3.23Å; M245-N251 VanDerWaalsContact SD-ND2 3.37Å; M245-L253 HydrophobicContact CE-CB 3.88Å; M245-L253 HydrophobicContact CE-CD1 4.01Å; M245-L253 HydrophobicContact SD-CB 3.99Å; M245-A254 HydrophobicContact SD-CB 4.4Å; M245-W258 PolarHBondContact O-NE1 3.47Å; M245-V261 HydrophobicContact CB-CG1 4.37Å; M245-V261 HydrophobicContact CE-CG1 3.91Å; M245-V261 HydrophobicContact SD-CG1 4.4Å
246	H	97.8	Very high	94.5	Very high	53 Å²	53	66.3 Å²	66.3	25%	0.245	34%	0.34	C	S	.	.			trans	-72.8	137.7	174.3	-168.7	-62.1	0	0	0	111.1	V219 S248	V219-H246 PolarHBondContact O-CD2 2.89Å; H246-S248 VanDerWaalsContact ND1-CB 3.34Å; H246-S248 WeakPolarHBondContact ND1-CB 3.42Å; H246-S248 PolarHBondContact ND1-N 3.02Å; H246-S248 PolarHBondContact O-N 3.04Å
247	P	97.4	Very high	94.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.			trans	-72.6	8.2	-178.8	26.5	-35.1	0	0	0	115.9	F104 S143 R146 F147 W258	F104-P247 HydrophobicContact CE1-CG 4.13Å; S143-P247 WeakPolarHBondContact O-CG 3.47Å; R146-P247 HydrophobicContact CB-CB 3.82Å; R146-P247 VanDerWaalsContact CD-O 3.25Å; R146-P247 WeakPolarHBondContact CD-O 3.44Å; R146-P247 PolarHBondContact NH1-O 2.84Å; F147-P247 HydrophobicContact CB-CG 4.46Å; P247-W258 HydrophobicContact CB-CD2 3.77Å; P247-W258 HydrophobicContact CB-CE3 4.27Å; P247-W258 HydrophobicContact CB-CG 4.17Å; P247-W258 HydrophobicContact CB-CH2 4.37Å; P247-W258 HydrophobicContact CB-CZ2 3.87Å; P247-W258 HydrophobicContact CG-CZ2 4.12Å
248	S	94.6	Very high	94.8	Very high	24 Å²	24	60 Å²	60	17%	0.168	31%	0.307	C	S	.	.			trans	-68.8	139.2	-167.5	179.2	0	0	0	0	110.8	S143 H246 R250 N251	S143-S248 WeakPolarHBondContact OG-CA 3.09Å; H246-S248 VanDerWaalsContact ND1-CB 3.34Å; H246-S248 WeakPolarHBondContact ND1-CB 3.42Å; H246-S248 PolarHBondContact ND1-N 3.02Å; H246-S248 PolarHBondContact O-N 3.04Å; S248-R250 PolarHBondContact O-N 3.13Å; S248-R250 VanDerWaalsContact O-N 3.13Å; S248-R250 PolarHBondContact OG-N 3.02Å; S248-N251 PolarHBondContact O-N 2.89Å
249	P	90.3	Very high	95	Very high	59 Å²	59	55.6 Å²	55.6	38%	0.383	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14	173.4	28.3	-35.6	0	0	0	113.3	V142 N251 N255	V142-P249 HydrophobicContact CB-CG 4.11Å; V142-P249 HydrophobicContact CG1-CB 4.3Å; V142-P249 HydrophobicContact CG1-CG 4.13Å; P249-N251 PolarHBondContact O-N 3.16Å; P249-N255 WeakPolarHBondContact CA-OD1 3.4Å; P249-N255 PolarHBondContact O-ND2 3.09Å
250	R	90.5	Very high	94.9	Very high	173 Å²	173	60.6 Å²	60.6	65%	0.653	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.6	172	-64.8	-175.8	177.1	-178.5	-0.1	113	S248 P252	S248-R250 PolarHBondContact O-N 3.13Å; S248-R250 VanDerWaalsContact O-N 3.13Å; S248-R250 PolarHBondContact OG-N 3.02Å; R250-P252 WeakPolarHBondContact O-CD 3.5Å
251	N	90.4	Very high	94.8	Very high	43 Å²	43	58 Å²	58	23%	0.23	30%	0.302	C	S	.	.	S	Bend	trans	-92	111.9	174.3	178.1	3.8	0	0	0	109.5	M245 S248 P249 L253 A254 N255	M245-N251 WeakPolarHBondContact CG-ND2 3.23Å; M245-N251 PolarHBondContact SD-ND2 3.23Å; M245-N251 VanDerWaalsContact SD-ND2 3.37Å; S248-N251 PolarHBondContact O-N 2.89Å; P249-N251 PolarHBondContact O-N 3.16Å; N251-L253 PolarHBondContact O-N 2.73Å; N251-L253 WeakPolarHBondContact OD1-CB 3.37Å; N251-L253 PolarHBondContact OD1-N 2.75Å; N251-L253 VanDerWaalsContact OD1-N 3.07Å; N251-A254 HydrophobicContact CB-CB 3.98Å; N251-A254 WeakPolarHBondContact O-CB 3.45Å; N251-A254 PolarHBondContact O-N 2.89Å; N251-N255 PolarHBondContact O-N 3.45Å
252	P	90.4	Very high	94.8	Very high	91 Å²	91	57.7 Å²	57.7	59%	0.591	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.2	179.9	-25.2	35.2	0	0	0	113.7	R250 N255	R250-P252 WeakPolarHBondContact O-CD 3.5Å; P252-N255 PolarHBondContact O-N 3.17Å
253	L	89.9	Confident	94.7	Very high	102 Å²	102	60.2 Å²	60.2	53%	0.534	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-37.5	177.4	-64.6	175.8	0	0	0	111.8	M245 N251 N255 K256	M245-L253 HydrophobicContact CE-CB 3.88Å; M245-L253 HydrophobicContact CE-CD1 4.01Å; M245-L253 HydrophobicContact SD-CB 3.99Å; N251-L253 PolarHBondContact O-N 2.73Å; N251-L253 WeakPolarHBondContact OD1-CB 3.37Å; N251-L253 PolarHBondContact OD1-N 2.75Å; N251-L253 VanDerWaalsContact OD1-N 3.07Å; L253-N255 PolarHBondContact O-N 3.32Å; L253-K256 PolarHBondContact O-N 2.74Å
254	A	92.6	Very high	94.7	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.017	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-63.6	-29.2	177.3	0	0	0	0	0	111.9	M245 N251 K256 W258	M245-A254 HydrophobicContact SD-CB 4.4Å; N251-A254 HydrophobicContact CB-CB 3.98Å; N251-A254 WeakPolarHBondContact O-CB 3.45Å; N251-A254 PolarHBondContact O-N 2.89Å; A254-K256 VanDerWaalsContact C-N 3.28Å; A254-K256 PolarHBondContact O-N 2.67Å; A254-W258 HydrophobicContact CB-CB 4.07Å; A254-W258 HydrophobicContact CB-CG 4.38Å; A254-W258 WeakPolarHBondContact O-CB 3.12Å; A254-W258 PolarHBondContact O-N 3.09Å
255	N	92.5	Very high	94.7	Very high	81 Å²	81	64.5 Å²	64.5	43%	0.433	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-75.6	-14.7	177	-61.6	-29.2	0	0	0	113.6	R146 P249 N251 P252 L253	R146-N255 PolarHBondContact NH1-OD1 2.75Å; R146-N255 VanDerWaalsContact NH1-OD1 3.16Å; R146-N255 PolarHBondContact NH2-OD1 3.24Å; P249-N255 WeakPolarHBondContact CA-OD1 3.4Å; P249-N255 PolarHBondContact O-ND2 3.09Å; N251-N255 PolarHBondContact O-N 3.45Å; P252-N255 PolarHBondContact O-N 3.17Å; L253-N255 PolarHBondContact O-N 3.32Å
256	K	92.3	Very high	94.7	Very high	178 Å²	178	62.4 Å²	62.4	77%	0.774	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-95	0.8	179.7	-66.3	-177.6	179.9	-175.3	0	114	L253 A254	L253-K256 PolarHBondContact O-N 2.74Å; A254-K256 VanDerWaalsContact C-N 3.28Å; A254-K256 PolarHBondContact O-N 2.67Å
257	G	93.3	Very high	94.7	Very high	34 Å²	34	62.3 Å²	62.3	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	136.7	59.3	-179.2	0	0	0	0	0	113.3	E259 E260 V261	G257-E259 VanDerWaalsContact C-N 3.31Å; G257-E259 PolarHBondContact O-N 2.78Å; G257-E260 PolarHBondContact O-N 2.72Å; G257-V261 PolarHBondContact O-N 3.43Å
258	W	97.7	Very high	94.7	Very high	10 Å²	10	68.6 Å²	68.6	4%	0.038	37%	0.367	C	S	.	.	H	α-helix	trans	-57.2	-41.2	178.9	177.5	78.4	0	0	0	113.5	R146 F147 F150 M245 P247 A254 E260 V261 A262	R146-W258 HydrophobicContact CB-CE3 4.02Å; R146-W258 HydrophobicContact CB-CZ3 4.19Å; R146-W258 WeakPolarHBondContact O-CZ3 3.49Å; F147-W258 HydrophobicContact CD2-CH2 4.47Å; F150-W258 HydrophobicContact CB-CH2 4.32Å; F150-W258 HydrophobicContact CB-CZ3 3.72Å; F150-W258 HydrophobicContact CD1-CH2 4.4Å; F150-W258 HydrophobicContact CD1-CZ3 4.47Å; F150-W258 HydrophobicContact CG-CH2 4.47Å; F150-W258 HydrophobicContact CG-CZ3 4.08Å; M245-W258 PolarHBondContact O-NE1 3.47Å; P247-W258 HydrophobicContact CB-CD2 3.77Å; P247-W258 HydrophobicContact CB-CE3 4.27Å; P247-W258 HydrophobicContact CB-CG 4.17Å; P247-W258 HydrophobicContact CB-CH2 4.37Å; P247-W258 HydrophobicContact CB-CZ2 3.87Å; P247-W258 HydrophobicContact CG-CZ2 4.12Å; A254-W258 HydrophobicContact CB-CB 4.07Å; A254-W258 HydrophobicContact CB-CG 4.38Å; A254-W258 WeakPolarHBondContact O-CB 3.12Å; A254-W258 PolarHBondContact O-N 3.09Å; W258-E260 PolarHBondContact O-N 3.26Å; W258-V261 PolarHBondContact O-N 2.84Å; W258-A262 HydrophobicContact CD2-CB 4.39Å; W258-A262 HydrophobicContact CH2-CB 4.23Å; W258-A262 HydrophobicContact CZ2-CB 3.97Å; W258-A262 WeakPolarHBondContact O-CB 3.13Å; W258-A262 PolarHBondContact O-N 2.9Å
259	E	96.3	Very high	94.9	Very high	55 Å²	55	68 Å²	68	26%	0.257	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-45.3	-176.2	-68.3	-173.4	-170.5	0	0	112	F150 K153 G257 V261 A262 K263	F150-E259 HydrophobicContact CB-CG 4.32Å; F150-E259 HydrophobicContact CD2-CB 4.01Å; F150-E259 HydrophobicContact CD2-CG 4.06Å; K153-E259 IonicContact NZ-OE1 2.73Å; K153-E259 PolarHBondContact NZ-OE1 2.82Å; K153-E259 IonicContact NZ-OE2 2.75Å; K153-E259 PolarHBondContact NZ-OE2 2.89Å; G257-E259 VanDerWaalsContact C-N 3.31Å; G257-E259 PolarHBondContact O-N 2.78Å; E259-V261 PolarHBondContact O-N 3.09Å; E259-A262 PolarHBondContact O-N 3.09Å; E259-K263 VanDerWaalsContact O-CB 3.28Å; E259-K263 WeakPolarHBondContact O-CB 3.44Å; E259-K263 PolarHBondContact O-N 2.95Å
260	E	96.7	Very high	95.2	Very high	127 Å²	127	66.1 Å²	66.1	59%	0.593	35%	0.353	S	S	*	.	H	α-helix	trans	-65.7	-41.2	180	-63.5	-52.2	135.9	0	0	112.2	G257 W258 K263 A264	G257-E260 PolarHBondContact O-N 2.72Å; W258-E260 PolarHBondContact O-N 3.26Å; E260-K263 PolarHBondContact O-N 2.86Å; E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 3.37Å
261	V	97	Very high	95.6	Very high	67 Å²	67	58 Å²	58	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-42.9	176.9	177.8	0	0	0	0	111.1	M245 G257 W258 E259 K265	M245-V261 HydrophobicContact CB-CG1 4.37Å; M245-V261 HydrophobicContact CE-CG1 3.91Å; M245-V261 HydrophobicContact SD-CG1 4.4Å; G257-V261 PolarHBondContact O-N 3.43Å; W258-V261 PolarHBondContact O-N 2.84Å; E259-V261 PolarHBondContact O-N 3.09Å; V261-K265 PolarHBondContact O-N 3.23Å
262	A	97.4	Very high	95.9	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-44.7	176.6	0	0	0	0	0	111.1	F150 W258 E259 K265 L266	F150-A262 HydrophobicContact CZ-CB 4.47Å; W258-A262 HydrophobicContact CD2-CB 4.39Å; W258-A262 HydrophobicContact CH2-CB 4.23Å; W258-A262 HydrophobicContact CZ2-CB 3.97Å; W258-A262 WeakPolarHBondContact O-CB 3.13Å; W258-A262 PolarHBondContact O-N 2.9Å; E259-A262 PolarHBondContact O-N 3.09Å; A262-K265 PolarHBondContact O-N 2.94Å; A262-L266 WeakPolarHBondContact O-CB 3.42Å; A262-L266 VanDerWaalsContact O-CG 3.26Å; A262-L266 WeakPolarHBondContact O-CG 3.25Å; A262-L266 PolarHBondContact O-N 2.78Å
263	K	97.6	Very high	96	Very high	89 Å²	89	62.6 Å²	62.6	39%	0.387	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-48.3	178.4	-170.3	177.6	179.1	-178.3	0	112.1	F150 E259 E260 K265 L266 A267 L272	F150-K263 HydrophobicContact CE2-CB 3.97Å; F150-K263 HydrophobicContact CZ-CB 4.07Å; E259-K263 VanDerWaalsContact O-CB 3.28Å; E259-K263 WeakPolarHBondContact O-CB 3.44Å; E259-K263 PolarHBondContact O-N 2.95Å; E260-K263 PolarHBondContact O-N 2.86Å; K263-K265 PolarHBondContact O-N 3.39Å; K263-L266 PolarHBondContact O-N 2.81Å; K263-A267 PolarHBondContact O-N 3.4Å; K263-L272 HydrophobicContact CG-CD1 3.92Å
264	A	97.8	Very high	96.3	Very high	54 Å²	54	59.8 Å²	59.8	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-49.2	177.6	0	0	0	0	0	111.4	E260 L266 A267 D268	E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 3.37Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.25Å; A264-A267 WeakPolarHBondContact O-CB 3.25Å; A264-A267 PolarHBondContact O-N 2.94Å; A264-A267 VanDerWaalsContact O-N 3.12Å; A264-D268 PolarHBondContact O-N 3.1Å
265	K	98.1	Very high	96.2	Very high	62 Å²	62	59.9 Å²	59.9	27%	0.27	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-39	178.1	-178.1	57.5	176.3	168.3	0	112.2	E242 G243 V244 V261 A262 K263 A267 D268 L269	E242-K265 IonicContact OE2-NZ 3.11Å; E242-K265 PolarHBondContact OE2-NZ 3.43Å; G243-K265 WeakPolarHBondContact O-CE 3.31Å; V244-K265 HydrophobicContact CG1-CB 4.36Å; V244-K265 HydrophobicContact CG1-CG 3.8Å; V261-K265 PolarHBondContact O-N 3.23Å; A262-K265 PolarHBondContact O-N 2.94Å; K263-K265 PolarHBondContact O-N 3.39Å; K265-A267 VanDerWaalsContact C-N 3.32Å; K265-D268 PolarHBondContact O-N 3.06Å; K265-L269 HydrophobicContact CD-CD1 4.42Å; K265-L269 HydrophobicContact CD-CG 4.31Å; K265-L269 HydrophobicContact CG-CD1 4.34Å; K265-L269 VanDerWaalsContact O-CG 3.24Å; K265-L269 WeakPolarHBondContact O-CG 3.49Å; K265-L269 PolarHBondContact O-N 3.35Å
266	L	98.3	Very high	95.7	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-69.5	-29.2	176.7	-69.4	173.9	0	0	0	112.9	F87 F150 F151 I217 V244 A262 K263 A264 G270 V271 L272	F87-L266 HydrophobicContact CE1-CD2 3.92Å; F87-L266 HydrophobicContact CZ-CD2 3.94Å; F150-L266 HydrophobicContact CE1-CD1 3.62Å; F150-L266 HydrophobicContact CZ-CD1 3.99Å; F151-L266 HydrophobicContact CE1-CD1 4.13Å; F151-L266 HydrophobicContact CZ-CD1 4.17Å; I217-L266 HydrophobicContact CD1-CD2 3.97Å; V244-L266 HydrophobicContact CG1-CD2 4.26Å; A262-L266 WeakPolarHBondContact O-CB 3.42Å; A262-L266 VanDerWaalsContact O-CG 3.26Å; A262-L266 WeakPolarHBondContact O-CG 3.25Å; A262-L266 PolarHBondContact O-N 2.78Å; K263-L266 PolarHBondContact O-N 2.81Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.25Å; L266-G270 PolarHBondContact O-N 2.69Å; L266-V271 HydrophobicContact CB-CB 4.35Å; L266-V271 HydrophobicContact CD2-CB 4.02Å; L266-V271 HydrophobicContact CD2-CG1 4.07Å; L266-V271 HydrophobicContact CD2-CG2 4.25Å; L266-V271 PolarHBondContact O-N 2.72Å; L266-L272 HydrophobicContact CB-CD2 3.77Å; L266-L272 HydrophobicContact CB-CG 4.02Å; L266-L272 HydrophobicContact CD1-CD2 4.42Å; L266-L272 PolarHBondContact O-N 3.28Å
267	A	97.9	Very high	94.2	Very high	52 Å²	52	54.5 Å²	54.5	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-49	171.4	0	0	0	0	0	110.5	K263 A264 K265 L269 G270 L272	K263-A267 PolarHBondContact O-N 3.4Å; A264-A267 WeakPolarHBondContact O-CB 3.25Å; A264-A267 PolarHBondContact O-N 2.94Å; A264-A267 VanDerWaalsContact O-N 3.12Å; K265-A267 VanDerWaalsContact C-N 3.32Å; A267-L269 PolarHBondContact O-N 3.15Å; A267-G270 WeakPolarHBondContact O-CA 3.44Å; A267-G270 PolarHBondContact O-N 2.85Å; A267-L272 HydrophobicContact CB-CD1 3.67Å; A267-L272 HydrophobicContact CB-CG 4.3Å
268	D	98.1	Very high	92.2	Very high	132 Å²	132	61.6 Å²	61.6	71%	0.706	35%	0.349	S	S	*	.	H	α-helix	trans	-59.8	-34.2	178.2	-64.3	-18.3	0	0	0	112.6	A264 K265 G270	A264-D268 PolarHBondContact O-N 3.1Å; K265-D268 PolarHBondContact O-N 3.06Å; D268-G270 PolarHBondContact O-N 3.03Å
269	L	97.9	Very high	92	Very high	11 Å²	11	64.2 Å²	64.2	6%	0.058	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.3	176.2	-66.2	-178.4	0	0	0	113.5	M215 I217 E242 K265 A267 V271	M215-L269 HydrophobicContact SD-CD1 4.45Å; I217-L269 HydrophobicContact CD1-CD1 3.97Å; I217-L269 HydrophobicContact CG1-CD1 4.37Å; E242-L269 HydrophobicContact CB-CD1 3.85Å; E242-L269 HydrophobicContact CB-CD2 4.08Å; E242-L269 HydrophobicContact CG-CD1 4.24Å; E242-L269 HydrophobicContact CG-CD2 3.55Å; K265-L269 HydrophobicContact CD-CD1 4.42Å; K265-L269 HydrophobicContact CD-CG 4.31Å; K265-L269 HydrophobicContact CG-CD1 4.34Å; K265-L269 VanDerWaalsContact O-CG 3.24Å; K265-L269 WeakPolarHBondContact O-CG 3.49Å; K265-L269 PolarHBondContact O-N 3.35Å; A267-L269 PolarHBondContact O-N 3.15Å; L269-V271 VanDerWaalsContact C-N 3.26Å; L269-V271 HydrophobicContact CB-CG2 3.82Å; L269-V271 PolarHBondContact O-N 2.91Å
270	G	97.6	Very high	91.7	Very high	20 Å²	20	64.6 Å²	64.6	21%	0.206	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	28	-175.9	0	0	0	0	0	113.1	L266 A267 D268 R273	L266-G270 PolarHBondContact O-N 2.69Å; A267-G270 WeakPolarHBondContact O-CA 3.44Å; A267-G270 PolarHBondContact O-N 2.85Å; D268-G270 PolarHBondContact O-N 3.03Å; G270-R273 WeakPolarHBondContact O-CG 3.44Å; G270-R273 PolarHBondContact O-NE 3.1Å
271	V	97.7	Very high	91.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	36%	0.357	C	S	.	.			trans	-88.4	-33	179.1	179	0	0	0	0	111	V85 F87 M215 I217 L266 L269 R273 L274 L275	V85-V271 HydrophobicContact CG2-CG1 4.49Å; V85-V271 HydrophobicContact CG2-CG2 4.35Å; F87-V271 HydrophobicContact CZ-CG1 4.43Å; M215-V271 HydrophobicContact SD-CG2 4.17Å; I217-V271 HydrophobicContact CD1-CG2 3.88Å; L266-V271 HydrophobicContact CB-CB 4.35Å; L266-V271 HydrophobicContact CD2-CB 4.02Å; L266-V271 HydrophobicContact CD2-CG1 4.07Å; L266-V271 HydrophobicContact CD2-CG2 4.25Å; L266-V271 PolarHBondContact O-N 2.72Å; L269-V271 VanDerWaalsContact C-N 3.26Å; L269-V271 HydrophobicContact CB-CG2 3.82Å; L269-V271 PolarHBondContact O-N 2.91Å; V271-R273 PolarHBondContact O-N 3.06Å; V271-L274 VanDerWaalsContact O-CB 3.29Å; V271-L274 WeakPolarHBondContact O-CB 3.21Å; V271-L274 PolarHBondContact O-N 3.23Å; V271-L275 HydrophobicContact CG1-CD1 4.24Å; V271-L275 HydrophobicContact CG1-CG 4.49Å
272	L	95.9	Very high	91.1	Very high	41 Å²	41	60.8 Å²	60.8	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-34.8	-178.9	-66.8	-172.1	0	0	0	113.4	L154 K263 L266 A267 L274 L275 S276	L154-L272 HydrophobicContact CD1-CD2 3.97Å; K263-L272 HydrophobicContact CG-CD1 3.92Å; L266-L272 HydrophobicContact CB-CD2 3.77Å; L266-L272 HydrophobicContact CB-CG 4.02Å; L266-L272 HydrophobicContact CD1-CD2 4.42Å; L266-L272 PolarHBondContact O-N 3.28Å; A267-L272 HydrophobicContact CB-CD1 3.67Å; A267-L272 HydrophobicContact CB-CG 4.3Å; L272-L274 PolarHBondContact O-N 3.22Å; L272-L275 HydrophobicContact CD2-CD1 4.48Å; L272-L275 PolarHBondContact O-N 3.49Å; L272-S276 PolarHBondContact O-N 3.07Å; L272-S276 VanDerWaalsContact O-N 3.13Å
273	R	94.4	Very high	90.7	Very high	190 Å²	190	64.4 Å²	64.4	72%	0.717	38%	0.375	S	S	*	.	H	α-helix	trans	-63.2	-22	174.8	60.4	174.5	179.7	177.3	4.6	114	G270 V271 S276	G270-R273 WeakPolarHBondContact O-CG 3.44Å; G270-R273 PolarHBondContact O-NE 3.1Å; V271-R273 PolarHBondContact O-N 3.06Å; R273-S276 PolarHBondContact O-OG 3.11Å
274	L	94.4	Very high	90.3	Very high	43 Å²	43	62.8 Å²	62.8	23%	0.225	37%	0.374	C	S	.	.	H	α-helix	trans	-80.8	-23.6	174.9	-55.3	175.6	0	0	0	111.2	V85 H164 V271 L272	V85-L274 HydrophobicContact CG2-CD1 3.93Å; H164-L274 HydrophobicContact CB-CB 4.09Å; H164-L274 HydrophobicContact CB-CD1 4.47Å; H164-L274 PolarHBondContact CD2-O 3.38Å; H164-L274 VanDerWaalsContact CD2-O 3.31Å; V271-L274 VanDerWaalsContact O-CB 3.29Å; V271-L274 WeakPolarHBondContact O-CB 3.21Å; V271-L274 PolarHBondContact O-N 3.23Å; L272-L274 PolarHBondContact O-N 3.22Å
275	L	91.9	Very high	89.8	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-96.5	-18.4	-173.6	-60.1	178	0	0	0	112.7	F151 Q160 F161 V271 L272	F151-L275 HydrophobicContact CD1-CD1 3.99Å; F151-L275 HydrophobicContact CE1-CD1 3.72Å; Q160-L275 VanDerWaalsContact CG-O 3.24Å; Q160-L275 WeakPolarHBondContact CG-O 3.14Å; Q160-L275 PolarHBondContact NE2-O 3.43Å; Q160-L275 VanDerWaalsContact NE2-O 3.08Å; F161-L275 HydrophobicContact CD2-CD2 3.81Å; F161-L275 HydrophobicContact CG-CD2 4.49Å; V271-L275 HydrophobicContact CG1-CD1 4.24Å; V271-L275 HydrophobicContact CG1-CG 4.49Å; L272-L275 HydrophobicContact CD2-CD1 4.48Å; L272-L275 PolarHBondContact O-N 3.49Å
276	S	80.5	Confident	89.1	Confident	60 Å²	60	63.5 Å²	63.5	42%	0.42	38%	0.377	S	S	.	.	S	Bend	trans	-73.3	133.3	173.4	49.9	0	0	0	0	111.5	Q160 L272 R273 S278	Q160-S276 VanDerWaalsContact NE2-C 3.31Å; Q160-S276 PolarHBondContact NE2-O 2.73Å; L272-S276 PolarHBondContact O-N 3.07Å; L272-S276 VanDerWaalsContact O-N 3.13Å; R273-S276 PolarHBondContact O-OG 3.11Å; S276-S278 PolarHBondContact O-N 3.36Å
277	S	62.6	Low	88.4	Confident	86 Å²	86	68.6 Å²	68.6	60%	0.601	41%	0.407	S	S	*	.			trans	-59.4	117.3	159.9	-43.8	0	0	0	0	107.3
278	S	51.3	Low	87.5	Confident	183 Å²	183	70.1 Å²	70.1	100%	1.28	41%	0.405	S	S	*	.			trans	-62.7	0	167.8	-54	0	0	0	0	110.1	S276	S276-S278 PolarHBondContact O-N 3.36Å

Retrieved 278 of 278 residues in 528.6 ms (Link to these results)

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