A0A096MX57_PAPAN Loading...

F-box only protein

Substrate recognition component of a SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins and plays a role in several biological processes such as cell cycle, cell proliferation, or maintenance of chromosome stability. Ubiquitinates mTORC1-bound TTI1 and TELO2 when they are phosphorylated by CK2 following growth factor deprivation, leading to their degradation. In contrast, does not mediate ubiquitination of TTI1 and TELO2 when they are part of the mTORC2 complex. As a consequence, mTORC1 is inactivated to restrain cell growth and protein translation, while mTORC2 is the activated due to the relief of feedback inhibition by mTORC1. Plays a role in maintaining epithelial cell survival by regulating the turn-over of chromatin modulator PRMT4 through ubiquitination and degradation by the proteasomal pathway. Regulates also PPARgamma stability by facilitating PPARgamma/PPARG ubiquitination and thereby plays a role in adipocyte differentiation.

AlphaFold DB , UniProt , Accession A0A096MX57, Species PAPAN (Papio anubis, Olive baboon), Gene FBXO48, Length 155 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	37.4	Very low	250 Å²	250	171.3 Å²	171.3	100%	1.232	87%	0.874	S	S	*	*				0	137.8	0	-76.3	163.7	76.5	0	0	108.8
2	H	32.8	Very low	37.2	Very low	170 Å²	170	176.9 Å²	176.9	79%	0.787	88%	0.876	S	S	*	*			trans	-47.4	150.3	-168.1	-75.1	-41.4	0	0	0	118
3	K	40.6	Very low	37.5	Very low	210 Å²	210	172.6 Å²	172.6	91%	0.913	87%	0.865	S	S	*	*				-162.5	119.6	106.1	-98.5	166	-173.3	-176.9	0	112.3
4	N	35.7	Very low	37.5	Very low	148 Å²	148	168.4 Å²	168.4	79%	0.791	86%	0.86	S	S	*	*			trans	-69.1	154.2	166.6	-75.6	-29.5	0	0	0	111
5	S	38.3	Very low	38	Very low	124 Å²	124	168.1 Å²	168.1	87%	0.867	85%	0.853	S	S	*	*			trans	-145.8	113.2	144	-166.9	0	0	0	0	110.5
6	K	45.4	Very low	37.8	Very low	202 Å²	202	166.2 Å²	166.2	88%	0.878	85%	0.852	S	S	*	*			trans	-73.7	140	169.2	-80.8	171.8	170.7	172.6	0	109.3
7	R	33.7	Very low	38.1	Very low	255 Å²	255	165.6 Å²	165.6	96%	0.962	85%	0.846	S	S	*	*			trans	-153.2	141	135.6	-133.8	169.7	172.8	167.9	-3.7	112.8
8	N	34.7	Very low	38.2	Very low	140 Å²	140	162.4 Å²	162.4	75%	0.749	84%	0.835	S	S	*	*			trans	-93.3	149.9	-163.7	178	26.5	0	0	0	111.4
9	S	34.9	Very low	38.3	Very low	114 Å²	114	161.1 Å²	161.1	80%	0.797	83%	0.83	S	S	*	*			trans	-171.6	119.6	137.1	57.4	0	0	0	0	112.5
10	N	41.7	Very low	38.9	Very low	159 Å²	159	157.8 Å²	157.8	85%	0.85	82%	0.821	S	S	*	*			trans	-70.4	141.9	163.8	-80.1	-20.6	0	0	0	112
11	S	35.3	Very low	39.2	Very low	112 Å²	112	154.9 Å²	154.9	78%	0.783	81%	0.81	S	S	*	*			trans	-159.4	105.2	141	68.8	0	0	0	0	109.6
12	R	35.2	Very low	39.5	Very low	239 Å²	239	149.6 Å²	149.6	90%	0.902	79%	0.787	S	S	*	*				79.6	95.2	101.1	-121.9	-178.4	-173.4	178.4	0.8	115.2
13	V	40.8	Very low	40.1	Very low	121 Å²	121	145.2 Å²	145.2	73%	0.733	78%	0.78	S	S	*	*			trans	41.3	121.6	133.8	-174.6	0	0	0	0	119.1
14	S	37.9	Very low	40.5	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	77%	0.77	S	S	*	*				-151.9	126.5	124.3	-17	0	0	0	0	109.4
15	H	44.7	Very low	41	Very low	165 Å²	165	143.5 Å²	143.5	76%	0.764	77%	0.768	S	S	*	*			trans	-54.3	133.8	162.8	-77.8	-107.3	0	0	0	109.4
16	T	35.7	Very low	41.4	Very low	137 Å²	137	146.3 Å²	146.3	84%	0.84	77%	0.767	S	S	*	*			trans	-135.3	95.3	153.6	-52.6	0	0	0	0	106.1
17	E	42.6	Very low	41.5	Very low	157 Å²	157	144 Å²	144	73%	0.734	76%	0.757	S	S	*	*			trans	-63.8	157.6	161.1	-67.1	178.8	142.7	0	0	109.8
18	V	40.4	Very low	42.2	Very low	108 Å²	108	136.3 Å²	136.3	66%	0.655	74%	0.735	S	S	*	*			trans	74.2	107.6	162.1	-138.9	0	0	0	0	113.6
19	N	39.5	Very low	43.1	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	74%	0.742	S	S	*	*				-141.6	111.6	70	-72.3	-39.3	0	0	0	113.2	V21	N19-V21 HydrophobicContact CB-CG2 4.19Å; N19-V21 PolarHBondContact O-N 3.29Å
20	S	50.4	Low	44	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	73%	0.731	S	S	*	*			trans	-81.2	25.8	167.3	57.2	0	0	0	0	113
21	V	44.8	Very low	44.7	Very low	98 Å²	98	135.4 Å²	135.4	59%	0.594	72%	0.718	S	S	*	*			trans	-85	-14.6	-169.2	-175.3	0	0	0	0	112.8	N19	N19-V21 HydrophobicContact CB-CG2 4.19Å; N19-V21 PolarHBondContact O-N 3.29Å
22	D	44.1	Very low	46.5	Very low	138 Å²	138	136.8 Å²	136.8	74%	0.738	72%	0.717	S	S	*	*	S	Bend	trans	-97.8	-5.8	-179.1	-70.7	-39.1	0	0	0	114.4
23	A	44.9	Very low	48.9	Very low	79 Å²	79	126.4 Å²	126.4	65%	0.653	68%	0.679	S	S	*	*	S	Bend	trans	-86.7	-12.7	175.7	0	0	0	0	0	113.7
24	E	48.9	Very low	51.2	Low	148 Å²	148	123 Å²	123	69%	0.692	65%	0.654	S	S	*	*	S	Bend	trans	-96	-7.2	-180	-62.4	-155.3	162.7	0	0	113.6
25	K	46.7	Very low	53.7	Low	173 Å²	173	118.4 Å²	118.4	75%	0.752	62%	0.622	S	S	*	*	S	Bend	trans	-85.4	-18.2	-176.3	-132.2	175.1	-175	178.2	0	114.3
26	E	47.1	Very low	55.8	Low	183 Å²	183	116.4 Å²	116.4	86%	0.855	61%	0.613	S	S	*	*	S	Bend	trans	-93.9	-7.4	178.3	-70.2	-171.6	162	0	0	113.9
27	K	47.8	Very low	58.5	Low	153 Å²	153	115.6 Å²	115.6	67%	0.665	60%	0.602	S	S	*	*	S	Bend	trans	-94.3	-12.7	-175.2	-103.4	-178.4	175.9	-179.1	0	115.9	S30	K27-S30 PolarHBondContact O-OG 3.41Å
28	N	48.8	Very low	60.9	Low	95 Å²	95	111.2 Å²	111.2	51%	0.508	58%	0.584	S	S	.	*	S	Bend	trans	-96.4	-4.1	-170.1	-63.5	-11.3	0	0	0	114.5
29	E	52.6	Low	63.4	Low	191 Å²	191	109.6 Å²	109.6	89%	0.893	58%	0.575	S	S	*	*	S	Bend	trans	-77.8	-24.7	176.8	-77	-170.9	159.6	0	0	112.9
30	S	54.4	Low	65.8	Low	81 Å²	81	108.8 Å²	108.8	57%	0.566	57%	0.567	S	S	*	*	S	Bend	trans	-86.8	-14	176.9	48.5	0	0	0	0	114.3	K27 N32	K27-S30 PolarHBondContact O-OG 3.41Å; S30-N32 VanDerWaalsContact C-N 3.3Å; S30-N32 PolarHBondContact O-N 3.17Å
31	E	55.8	Low	67.8	Low	122 Å²	122	110.7 Å²	110.7	57%	0.57	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-7.2	-168.7	-75.4	-171.3	158.1	0	0	115
32	N	72.7	Confident	70.2	Confident	141 Å²	141	110.5 Å²	110.5	75%	0.754	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	24	-176.7	-68.7	-52.1	0	0	0	114.9	S30 F34	S30-N32 VanDerWaalsContact C-N 3.3Å; S30-N32 PolarHBondContact O-N 3.17Å; N32-F34 PolarHBondContact O-N 2.85Å
33	N	85.4	Confident	72.6	Confident	20 Å²	20	104 Å²	104	11%	0.107	53%	0.526	C	S	.	.			trans	-77.8	101.8	172.9	-175.3	5.1	0	0	0	111	V35 E36 L37 S64 W65	N33-V35 PolarHBondContact O-N 3.46Å; N33-V35 WeakPolarHBondContact OD1-CB 3.47Å; N33-V35 PolarHBondContact OD1-N 3.22Å; N33-E36 HydrophobicContact CB-CB 4.41Å; N33-E36 HydrophobicContact CB-CG 4.41Å; N33-E36 PolarHBondContact ND2-OE1 3.37Å; N33-E36 PolarHBondContact O-N 3.27Å; N33-L37 WeakPolarHBondContact O-CG 3.32Å; N33-L37 PolarHBondContact O-N 2.93Å; N33-S64 PolarHBondContact ND2-OG 3.39Å; N33-W65 PolarHBondContact OD1-NE1 3.08Å
34	F	90.1	Very high	74.9	Confident	50 Å²	50	102.5 Å²	102.5	22%	0.219	51%	0.505	C	S	.	.	H	α-helix	trans	-57.6	-27.2	179.2	79.9	-100.7	0	0	0	113.6	N32 E36 L37 L38 T43 I46 F47 W65	N32-F34 PolarHBondContact O-N 2.85Å; F34-E36 PolarHBondContact O-N 3.43Å; F34-L37 PolarHBondContact O-N 3.49Å; F34-L38 HydrophobicContact CB-CD1 4.12Å; F34-L38 HydrophobicContact CB-CG 4.28Å; F34-L38 HydrophobicContact CD2-CD1 3.87Å; F34-L38 HydrophobicContact CG-CD1 4.4Å; F34-L38 VanDerWaalsContact O-CB 3.31Å; F34-L38 WeakPolarHBondContact O-CB 3.44Å; F34-L38 WeakPolarHBondContact O-CG 3.42Å; F34-L38 PolarHBondContact O-N 2.82Å; F34-T43 HydrophobicContact CE2-CG2 4.08Å; F34-I46 HydrophobicContact CD2-CD1 4.04Å; F34-I46 HydrophobicContact CE2-CB 4.47Å; F34-I46 HydrophobicContact CE2-CD1 3.9Å; F34-I46 HydrophobicContact CE2-CG2 4.27Å; F34-I46 HydrophobicContact CZ-CG2 4.08Å; F34-F47 HydrophobicContact CE2-CE2 4.46Å; F34-F47 HydrophobicContact CE2-CZ 4.25Å; F34-F47 AromaticContact CZ-CE1 3.93Å; F34-F47 HydrophobicContact CZ-CE1 3.93Å; F34-F47 HydrophobicContact CZ-CE2 4.36Å; F34-F47 AromaticContact CZ-CZ 3.73Å; F34-F47 HydrophobicContact CZ-CZ 3.73Å; F34-W65 HydrophobicContact CD1-CH2 4.44Å; F34-W65 AromaticContact CD1-CZ2 3.81Å; F34-W65 HydrophobicContact CD1-CZ2 3.81Å; F34-W65 AromaticContact CE1-CE2 3.94Å; F34-W65 AromaticContact CE1-CH2 3.53Å; F34-W65 HydrophobicContact CE1-CH2 3.53Å; F34-W65 AromaticContact CE1-CZ2 3.21Å; F34-W65 HydrophobicContact CE1-CZ2 3.21Å; F34-W65 HydrophobicContact CE1-CZ3 4.45Å; F34-W65 HydrophobicContact CZ-CH2 4.22Å; F34-W65 HydrophobicContact CZ-CZ2 4Å
35	V	90.8	Very high	77.1	Confident	17 Å²	17	102 Å²	102	10%	0.103	50%	0.5	C	S	.	.	H	α-helix	trans	-65.4	-26.8	178.3	174.5	0	0	0	0	111.5	N33 T43 F47 S64 W65 T68	N33-V35 PolarHBondContact O-N 3.46Å; N33-V35 WeakPolarHBondContact OD1-CB 3.47Å; N33-V35 PolarHBondContact OD1-N 3.22Å; V35-T43 HydrophobicContact CB-CG2 4.31Å; V35-T43 HydrophobicContact CG1-CG2 4.14Å; V35-T43 HydrophobicContact CG2-CG2 3.86Å; V35-F47 HydrophobicContact CG2-CE2 3.82Å; V35-F47 HydrophobicContact CG2-CZ 3.71Å; V35-S64 WeakPolarHBondContact CG1-OG 3.4Å; V35-W65 HydrophobicContact CG2-CD2 4.21Å; V35-W65 HydrophobicContact CG2-CG 3.98Å; V35-W65 VanDerWaalsContact CG2-NE1 3.31Å; V35-T68 HydrophobicContact CG1-CG2 4.09Å; V35-T68 WeakPolarHBondContact CG1-OG1 3.41Å
36	E	88.7	Confident	79.4	Confident	123 Å²	123	97.2 Å²	97.2	58%	0.575	48%	0.482	S	S	*	.	H	α-helix	trans	-91.6	-19.9	177.2	-70.3	166.1	-149.4	0	0	112.4	N33 F34 S64	N33-E36 HydrophobicContact CB-CB 4.41Å; N33-E36 HydrophobicContact CB-CG 4.41Å; N33-E36 PolarHBondContact ND2-OE1 3.37Å; N33-E36 PolarHBondContact O-N 3.27Å; F34-E36 PolarHBondContact O-N 3.43Å; E36-S64 WeakPolarHBondContact OE1-CB 3.06Å; E36-S64 PolarHBondContact OE1-OG 2.78Å
37	L	91.3	Very high	81.7	Confident	119 Å²	119	88.6 Å²	88.6	62%	0.623	44%	0.442	S	S	*	.	H	α-helix	trans	-97.1	-34	-176.6	-63.3	170.3	0	0	0	113.4	N33 F34	N33-L37 WeakPolarHBondContact O-CG 3.32Å; N33-L37 PolarHBondContact O-N 2.93Å; F34-L37 PolarHBondContact O-N 3.49Å
38	L	92.9	Very high	83.9	Confident	66 Å²	66	83.8 Å²	83.8	35%	0.346	43%	0.428	S	S	.	.	S	Bend	trans	-92.1	147.2	-176.2	-63	-176.5	0	0	0	111.6	F34 L42 I46	F34-L38 HydrophobicContact CB-CD1 4.12Å; F34-L38 HydrophobicContact CB-CG 4.28Å; F34-L38 HydrophobicContact CD2-CD1 3.87Å; F34-L38 HydrophobicContact CG-CD1 4.4Å; F34-L38 VanDerWaalsContact O-CB 3.31Å; F34-L38 WeakPolarHBondContact O-CB 3.44Å; F34-L38 WeakPolarHBondContact O-CG 3.42Å; F34-L38 PolarHBondContact O-N 2.82Å; L38-L42 HydrophobicContact CB-CB 4.4Å; L38-I46 HydrophobicContact CD1-CD1 3.66Å
39	P	93.8	Very high	86.2	Confident	73 Å²	73	85.6 Å²	85.6	47%	0.474	43%	0.433	S	S	.	.			trans	-50.2	146.6	164.6	-26	33.6	0	0	0	112.1	E41 L42 T43	P39-E41 WeakPolarHBondContact CB-OE2 3.36Å; P39-E41 PolarHBondContact O-N 3.33Å; P39-L42 HydrophobicContact CG-CD1 4.47Å; P39-L42 PolarHBondContact O-N 3.03Å; P39-T43 PolarHBondContact O-N 3.37Å; P39-T43 VanDerWaalsContact O-N 3.1Å; P39-T43 PolarHBondContact O-OG1 2.74Å
40	Q	90.3	Very high	88.2	Confident	120 Å²	120	79.1 Å²	79.1	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-60.3	-34.1	-171.9	-161.9	176.3	3.4	0	0	112.1	T43 F44	Q40-T43 PolarHBondContact O-N 3.3Å; Q40-F44 HydrophobicContact CG-CD2 4.09Å; Q40-F44 HydrophobicContact CG-CE1 4Å; Q40-F44 HydrophobicContact CG-CE2 3.5Å; Q40-F44 HydrophobicContact CG-CZ 3.48Å; Q40-F44 VanDerWaalsContact CG-CZ 3.48Å; Q40-F44 WeakPolarHBondContact O-CB 3.47Å; Q40-F44 WeakPolarHBondContact O-CD2 3.41Å; Q40-F44 WeakPolarHBondContact O-CG 3.38Å; Q40-F44 PolarHBondContact O-N 3.06Å
41	E	92.5	Very high	90.1	Very high	135 Å²	135	79.3 Å²	79.3	63%	0.631	40%	0.399	S	S	*	.	H	α-helix	trans	-63.5	-41.9	177.8	-58	78.2	-172.2	0	0	112.1	P39 F44 K45	P39-E41 WeakPolarHBondContact CB-OE2 3.36Å; P39-E41 PolarHBondContact O-N 3.33Å; E41-F44 PolarHBondContact O-N 3.07Å; E41-K45 WeakPolarHBondContact O-CB 3.31Å; E41-K45 PolarHBondContact O-N 2.83Å
42	L	94.3	Very high	91.9	Very high	93 Å²	93	74.8 Å²	74.8	49%	0.487	38%	0.378	S	S	.	.	H	α-helix	trans	-70.9	-42.5	178.1	-64.6	-173.7	0	0	0	110.7	L38 P39 F44 K45 I46	L38-L42 HydrophobicContact CB-CB 4.4Å; P39-L42 HydrophobicContact CG-CD1 4.47Å; P39-L42 PolarHBondContact O-N 3.03Å; L42-F44 VanDerWaalsContact C-N 3.31Å; L42-F44 PolarHBondContact O-N 3.32Å; L42-K45 WeakPolarHBondContact O-CB 3.48Å; L42-K45 PolarHBondContact O-N 3.21Å; L42-K45 VanDerWaalsContact O-N 3.13Å; L42-I46 VanDerWaalsContact O-CG1 3.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.23Å; L42-I46 PolarHBondContact O-N 3.28Å
43	T	94.8	Very high	92.9	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-56.7	-46.1	173.8	-68.3	0	0	0	0	111.5	F34 V35 P39 Q40 I46 F47 T68	F34-T43 HydrophobicContact CE2-CG2 4.08Å; V35-T43 HydrophobicContact CB-CG2 4.31Å; V35-T43 HydrophobicContact CG1-CG2 4.14Å; V35-T43 HydrophobicContact CG2-CG2 3.86Å; P39-T43 PolarHBondContact O-N 3.37Å; P39-T43 VanDerWaalsContact O-N 3.1Å; P39-T43 PolarHBondContact O-OG1 2.74Å; Q40-T43 PolarHBondContact O-N 3.3Å; T43-I46 PolarHBondContact O-N 3.44Å; T43-F47 HydrophobicContact CG2-CD2 3.78Å; T43-F47 HydrophobicContact CG2-CE2 3.49Å; T43-F47 VanDerWaalsContact CG2-CE2 3.49Å; T43-F47 VanDerWaalsContact O-CD2 3.28Å; T43-F47 WeakPolarHBondContact O-CD2 3.47Å; T43-F47 PolarHBondContact O-N 3.02Å; T43-T68 HydrophobicContact CG2-CG2 3.67Å
44	F	93.4	Very high	93.5	Very high	49 Å²	49	76.2 Å²	76.2	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-37.7	175.3	-66	-23.4	0	0	0	112.8	Q40 E41 L42 I46 F47 S48 T68 C72	Q40-F44 HydrophobicContact CG-CD2 4.09Å; Q40-F44 HydrophobicContact CG-CE1 4Å; Q40-F44 HydrophobicContact CG-CE2 3.5Å; Q40-F44 HydrophobicContact CG-CZ 3.48Å; Q40-F44 VanDerWaalsContact CG-CZ 3.48Å; Q40-F44 WeakPolarHBondContact O-CB 3.47Å; Q40-F44 WeakPolarHBondContact O-CD2 3.41Å; Q40-F44 WeakPolarHBondContact O-CG 3.38Å; Q40-F44 PolarHBondContact O-N 3.06Å; E41-F44 PolarHBondContact O-N 3.07Å; L42-F44 VanDerWaalsContact C-N 3.31Å; L42-F44 PolarHBondContact O-N 3.32Å; F44-I46 VanDerWaalsContact C-N 3.3Å; F44-I46 PolarHBondContact O-N 3.5Å; F44-F47 PolarHBondContact O-N 2.77Å; F44-S48 WeakPolarHBondContact O-CB 3.23Å; F44-S48 PolarHBondContact O-N 3.27Å; F44-T68 HydrophobicContact CD1-CG2 4.06Å; F44-T68 HydrophobicContact CE1-CG2 3.59Å; F44-C72 HydrophobicContact CD1-CB 4.01Å; F44-C72 HydrophobicContact CE1-CB 3.45Å; F44-C72 VanDerWaalsContact CE1-CB 3.45Å; F44-C72 HydrophobicContact CE2-CB 4.32Å; F44-C72 HydrophobicContact CZ-CB 3.6Å; F44-C72 VanDerWaalsContact CZ-SG 3.53Å
45	K	94.4	Very high	93.7	Very high	136 Å²	136	73.8 Å²	73.8	59%	0.591	37%	0.367	S	S	*	.	H	α-helix	trans	-64.3	-35.8	176.6	-173.2	63.5	177.4	-175	0	112.5	E41 L42 S48 Q49	E41-K45 WeakPolarHBondContact O-CB 3.31Å; E41-K45 PolarHBondContact O-N 2.83Å; L42-K45 WeakPolarHBondContact O-CB 3.48Å; L42-K45 PolarHBondContact O-N 3.21Å; L42-K45 VanDerWaalsContact O-N 3.13Å; K45-S48 PolarHBondContact O-OG 2.95Å; K45-Q49 WeakPolarHBondContact O-CG 3.31Å; K45-Q49 PolarHBondContact O-NE2 3.41Å
46	I	95.7	Very high	93.9	Very high	73 Å²	73	75.7 Å²	75.7	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-53.4	173.7	-68	163.1	0	0	0	109.5	F34 L38 L42 T43 F44 S48 Q49	F34-I46 HydrophobicContact CD2-CD1 4.04Å; F34-I46 HydrophobicContact CE2-CB 4.47Å; F34-I46 HydrophobicContact CE2-CD1 3.9Å; F34-I46 HydrophobicContact CE2-CG2 4.27Å; F34-I46 HydrophobicContact CZ-CG2 4.08Å; L38-I46 HydrophobicContact CD1-CD1 3.66Å; L42-I46 VanDerWaalsContact O-CG1 3.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.23Å; L42-I46 PolarHBondContact O-N 3.28Å; T43-I46 PolarHBondContact O-N 3.44Å; F44-I46 VanDerWaalsContact C-N 3.3Å; F44-I46 PolarHBondContact O-N 3.5Å; I46-S48 PolarHBondContact O-N 3.12Å; I46-Q49 WeakPolarHBondContact O-CB 3.32Å; I46-Q49 PolarHBondContact O-N 2.67Å; I46-Q49 VanDerWaalsContact O-N 3.13Å
47	F	95.9	Very high	94.2	Very high	2 Å²	2	76.4 Å²	76.4	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-63	-30.8	-180	-70.5	-47.5	0	0	0	112.8	F34 V35 T43 F44 Q49 L50 L55 A58 W65 T68 I69 L75	F34-F47 HydrophobicContact CE2-CE2 4.46Å; F34-F47 HydrophobicContact CE2-CZ 4.25Å; F34-F47 AromaticContact CZ-CE1 3.93Å; F34-F47 HydrophobicContact CZ-CE1 3.93Å; F34-F47 HydrophobicContact CZ-CE2 4.36Å; F34-F47 AromaticContact CZ-CZ 3.73Å; F34-F47 HydrophobicContact CZ-CZ 3.73Å; V35-F47 HydrophobicContact CG2-CE2 3.82Å; V35-F47 HydrophobicContact CG2-CZ 3.71Å; T43-F47 HydrophobicContact CG2-CD2 3.78Å; T43-F47 HydrophobicContact CG2-CE2 3.49Å; T43-F47 VanDerWaalsContact CG2-CE2 3.49Å; T43-F47 VanDerWaalsContact O-CD2 3.28Å; T43-F47 WeakPolarHBondContact O-CD2 3.47Å; T43-F47 PolarHBondContact O-N 3.02Å; F44-F47 PolarHBondContact O-N 2.77Å; F47-Q49 PolarHBondContact O-N 2.87Å; F47-Q49 VanDerWaalsContact O-N 3.13Å; F47-L50 HydrophobicContact CD1-CD1 3.92Å; F47-L50 WeakPolarHBondContact O-CB 3.39Å; F47-L50 PolarHBondContact O-N 3.49Å; F47-L55 HydrophobicContact CB-CD2 4.03Å; F47-L55 WeakPolarHBondContact O-CD2 3.16Å; F47-A58 HydrophobicContact CE1-CB 4.17Å; F47-W65 HydrophobicContact CE1-CD2 4.27Å; F47-W65 AromaticContact CE1-CE3 3.73Å; F47-W65 HydrophobicContact CE1-CE3 3.73Å; F47-W65 AromaticContact CE1-CZ3 3.93Å; F47-W65 HydrophobicContact CE1-CZ3 3.93Å; F47-W65 AromaticContact CZ-CD2 3.86Å; F47-W65 HydrophobicContact CZ-CD2 3.86Å; F47-W65 AromaticContact CZ-CE3 3.8Å; F47-W65 HydrophobicContact CZ-CE3 3.8Å; F47-W65 HydrophobicContact CZ-CG 4.23Å; F47-W65 HydrophobicContact CZ-CZ3 4.33Å; F47-T68 HydrophobicContact CD2-CG2 4.31Å; F47-T68 HydrophobicContact CE2-CG2 3.96Å; F47-I69 HydrophobicContact CD1-CD1 4.01Å; F47-I69 HydrophobicContact CD1-CG1 4.14Å; F47-I69 HydrophobicContact CD2-CD1 4.49Å; F47-I69 HydrophobicContact CD2-CG1 3.85Å; F47-I69 HydrophobicContact CE1-CD1 3.74Å; F47-I69 HydrophobicContact CE1-CG1 4.14Å; F47-I69 HydrophobicContact CE2-CD1 4.23Å; F47-I69 HydrophobicContact CE2-CG1 3.83Å; F47-I69 HydrophobicContact CG-CD1 4.4Å; F47-I69 HydrophobicContact CG-CG1 4.01Å; F47-I69 HydrophobicContact CZ-CD1 3.85Å; F47-I69 HydrophobicContact CZ-CG1 3.99Å; F47-L75 HydrophobicContact CB-CD1 3.57Å; F47-L75 HydrophobicContact CB-CD2 4.48Å
48	S	94.3	Very high	94.5	Very high	53 Å²	53	71.1 Å²	71.1	37%	0.371	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.3	178.4	81.5	0	0	0	0	113.9	F44 K45 I46	F44-S48 WeakPolarHBondContact O-CB 3.23Å; F44-S48 PolarHBondContact O-N 3.27Å; K45-S48 PolarHBondContact O-OG 2.95Å; I46-S48 PolarHBondContact O-N 3.12Å
49	Q	95.6	Very high	94.6	Very high	133 Å²	133	68.9 Å²	68.9	62%	0.621	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.8	174.1	-54.1	-48.2	-50.5	0	0	112.7	K45 I46 F47	K45-Q49 WeakPolarHBondContact O-CG 3.31Å; K45-Q49 PolarHBondContact O-NE2 3.41Å; I46-Q49 WeakPolarHBondContact O-CB 3.32Å; I46-Q49 PolarHBondContact O-N 2.67Å; I46-Q49 VanDerWaalsContact O-N 3.13Å; F47-Q49 PolarHBondContact O-N 2.87Å; F47-Q49 VanDerWaalsContact O-N 3.13Å
50	L	95.7	Very high	94.7	Very high	55 Å²	55	72.1 Å²	72.1	29%	0.288	35%	0.354	S	S	.	.	S	Bend	trans	-84.3	144.2	-175.4	-62.4	-175.3	0	0	0	111	F47 L55 A58 H79	F47-L50 HydrophobicContact CD1-CD1 3.92Å; F47-L50 WeakPolarHBondContact O-CB 3.39Å; F47-L50 PolarHBondContact O-N 3.49Å; L50-L55 HydrophobicContact CB-CD2 3.9Å; L50-L55 HydrophobicContact CB-CG 3.8Å; L50-L55 HydrophobicContact CD1-CD2 4.16Å; L50-A58 HydrophobicContact CD1-CB 4.17Å; L50-H79 PolarHBondContact O-CE1 3.49Å; L50-H79 VanDerWaalsContact O-CE1 3.27Å; L50-H79 PolarHBondContact O-NE2 2.93Å
51	D	94.4	Very high	94.9	Very high	84 Å²	84	70.1 Å²	70.1	45%	0.449	35%	0.35	S	S	.	.			trans	-72.4	164.7	167.7	78.9	-54.8	0	0	0	110.8	R53 S54 L55	D51-R53 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact O-N 3.12Å; D51-R53 VanDerWaalsContact OD2-CB 3.26Å; D51-R53 WeakPolarHBondContact OD2-CB 3.32Å; D51-R53 PolarHBondContact OD2-N 3.38Å; D51-S54 PolarHBondContact O-N 3.34Å; D51-S54 WeakPolarHBondContact OD1-CB 3.4Å; D51-S54 PolarHBondContact OD1-N 2.9Å; D51-S54 VanDerWaalsContact OD1-N 3.12Å; D51-S54 PolarHBondContact OD1-OG 3.43Å; D51-L55 PolarHBondContact O-N 2.97Å
52	I	93.4	Very high	94.9	Very high	28 Å²	28	66.1 Å²	66.1	14%	0.144	34%	0.336	C	S	.	.	H	α-helix	trans	-53.1	-40.3	-177.3	-61	164.3	0	0	0	111.3	L55 C56 H79 L105 Y109	I52-L55 PolarHBondContact O-N 3.02Å; I52-C56 PolarHBondContact O-N 2.95Å; I52-C56 PolarHBondContact O-SG 3.34Å; I52-H79 HydrophobicContact CD1-CB 3.93Å; I52-H79 HydrophobicContact CG1-CB 3.85Å; I52-L105 HydrophobicContact CD1-CD1 4.18Å; I52-L105 HydrophobicContact CD1-CD2 4.11Å; I52-L105 HydrophobicContact CG1-CD2 4.14Å; I52-L105 HydrophobicContact CG2-CD2 4.33Å; I52-Y109 HydrophobicContact CB-CE2 4.37Å; I52-Y109 HydrophobicContact CD1-CD2 3.9Å; I52-Y109 HydrophobicContact CD1-CE2 3.44Å; I52-Y109 VanDerWaalsContact CD1-CE2 3.44Å; I52-Y109 HydrophobicContact CG2-CE2 4.09Å
53	R	94.1	Very high	94.9	Very high	151 Å²	151	72.7 Å²	72.7	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-67.5	-44.3	-179.6	-170.5	-175.5	-175.4	-173.2	4	111.3	D51 C56 R57	D51-R53 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact O-N 3.12Å; D51-R53 VanDerWaalsContact OD2-CB 3.26Å; D51-R53 WeakPolarHBondContact OD2-CB 3.32Å; D51-R53 PolarHBondContact OD2-N 3.38Å; R53-C56 PolarHBondContact O-N 2.95Å; R53-R57 VanDerWaalsContact NH2-NH2 3.11Å; R53-R57 WeakPolarHBondContact O-CG 3.19Å; R53-R57 PolarHBondContact O-N 3.26Å
54	S	96.4	Very high	94.8	Very high	39 Å²	39	74 Å²	74	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-36.3	177.7	-60	0	0	0	0	111.8	D51 R57 A58	D51-S54 PolarHBondContact O-N 3.34Å; D51-S54 WeakPolarHBondContact OD1-CB 3.4Å; D51-S54 PolarHBondContact OD1-N 2.9Å; D51-S54 VanDerWaalsContact OD1-N 3.12Å; D51-S54 PolarHBondContact OD1-OG 3.43Å; S54-R57 PolarHBondContact O-N 3.12Å; S54-A58 VanDerWaalsContact O-CB 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.36Å; S54-A58 PolarHBondContact O-N 3.01Å
55	L	95.4	Very high	94.9	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-46.3	171.1	-78.8	178.1	0	0	0	112.5	F47 L50 D51 I52 R57 A58 S59 L75 W76 H79	F47-L55 HydrophobicContact CB-CD2 4.03Å; F47-L55 WeakPolarHBondContact O-CD2 3.16Å; L50-L55 HydrophobicContact CB-CD2 3.9Å; L50-L55 HydrophobicContact CB-CG 3.8Å; L50-L55 HydrophobicContact CD1-CD2 4.16Å; D51-L55 PolarHBondContact O-N 2.97Å; I52-L55 PolarHBondContact O-N 3.02Å; L55-R57 VanDerWaalsContact C-N 3.32Å; L55-R57 PolarHBondContact O-N 2.55Å; L55-A58 PolarHBondContact O-N 2.78Å; L55-S59 PolarHBondContact O-N 3.17Å; L55-L75 HydrophobicContact CD1-CD2 3.95Å; L55-L75 HydrophobicContact CD1-CG 4.28Å; L55-L75 HydrophobicContact CD2-CD2 3.66Å; L55-L75 HydrophobicContact CD2-CG 4.39Å; L55-L75 HydrophobicContact CG-CD2 4.44Å; L55-W76 HydrophobicContact CB-CH2 4.27Å; L55-W76 HydrophobicContact CB-CZ3 4.45Å; L55-W76 HydrophobicContact CD1-CZ3 4.29Å; L55-H79 VanDerWaalsContact CD1-NE2 3.31Å; L55-H79 WeakPolarHBondContact CD1-NE2 3.48Å
56	C	93.9	Very high	95	Very high	57 Å²	57	70.1 Å²	70.1	39%	0.385	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-44.7	175.6	-70.4	0	0	0	0	111	I52 R53 S59 L60	I52-C56 PolarHBondContact O-N 2.95Å; I52-C56 PolarHBondContact O-SG 3.34Å; R53-C56 PolarHBondContact O-N 2.95Å; C56-S59 PolarHBondContact O-N 3.03Å; C56-S59 PolarHBondContact O-OG 3.12Å; C56-L60 WeakPolarHBondContact O-CG 3.26Å; C56-L60 PolarHBondContact O-N 3.25Å
57	R	96.7	Very high	94.9	Very high	138 Å²	138	74.3 Å²	74.3	52%	0.521	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176.3	-73	170.4	167	-177.8	-9.9	112.4	R53 S54 L55 S59 L60	R53-R57 VanDerWaalsContact NH2-NH2 3.11Å; R53-R57 WeakPolarHBondContact O-CG 3.19Å; R53-R57 PolarHBondContact O-N 3.26Å; S54-R57 PolarHBondContact O-N 3.12Å; L55-R57 VanDerWaalsContact C-N 3.32Å; L55-R57 PolarHBondContact O-N 2.55Å; R57-S59 VanDerWaalsContact C-N 3.25Å; R57-S59 PolarHBondContact O-N 3.06Å; R57-L60 WeakPolarHBondContact O-CB 3.15Å; R57-L60 PolarHBondContact O-N 3.35Å
58	A	96.1	Very high	94.8	Very high	8 Å²	8	75 Å²	75	7%	0.066	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-37.9	175.5	0	0	0	0	0	111.1	F47 L50 S54 L55 L60 T61 W65 I69	F47-A58 HydrophobicContact CE1-CB 4.17Å; L50-A58 HydrophobicContact CD1-CB 4.17Å; S54-A58 VanDerWaalsContact O-CB 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.36Å; S54-A58 PolarHBondContact O-N 3.01Å; L55-A58 PolarHBondContact O-N 2.78Å; A58-L60 PolarHBondContact O-N 2.95Å; A58-L60 VanDerWaalsContact O-N 3.12Å; A58-T61 WeakPolarHBondContact O-CG2 3.01Å; A58-T61 PolarHBondContact O-N 3.45Å; A58-T61 PolarHBondContact O-OG1 2.85Å; A58-W65 HydrophobicContact CB-CE3 3.82Å; A58-W65 HydrophobicContact CB-CZ3 3.93Å; A58-I69 HydrophobicContact CB-CD1 3.59Å
59	S	95.1	Very high	94.8	Very high	18 Å²	18	72.6 Å²	72.6	13%	0.126	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.7	176.8	79.9	0	0	0	0	114	L55 C56 R57 N66	L55-S59 PolarHBondContact O-N 3.17Å; C56-S59 PolarHBondContact O-N 3.03Å; C56-S59 PolarHBondContact O-OG 3.12Å; R57-S59 VanDerWaalsContact C-N 3.25Å; R57-S59 PolarHBondContact O-N 3.06Å; S59-N66 WeakPolarHBondContact O-CA 2.94Å; S59-N66 VanDerWaalsContact O-CB 3.23Å; S59-N66 WeakPolarHBondContact O-CB 3.02Å; S59-N66 PolarHBondContact O-ND2 3.4Å
60	L	95.6	Very high	94.7	Very high	141 Å²	141	71.6 Å²	71.6	74%	0.738	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.2	180	-61.7	173.5	0	0	0	113.3	C56 R57 A58	C56-L60 WeakPolarHBondContact O-CG 3.26Å; C56-L60 PolarHBondContact O-N 3.25Å; R57-L60 WeakPolarHBondContact O-CB 3.15Å; R57-L60 PolarHBondContact O-N 3.35Å; A58-L60 PolarHBondContact O-N 2.95Å; A58-L60 VanDerWaalsContact O-N 3.12Å
61	T	94.5	Very high	94.4	Very high	78 Å²	78	73.5 Å²	73.5	48%	0.479	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-51.9	-174.7	57.5	0	0	0	0	112.3	A58 W65	A58-T61 WeakPolarHBondContact O-CG2 3.01Å; A58-T61 PolarHBondContact O-N 3.45Å; A58-T61 PolarHBondContact O-OG1 2.85Å; T61-W65 HydrophobicContact CG2-CE3 3.92Å; T61-W65 HydrophobicContact CG2-CZ3 4.01Å; T61-W65 VanDerWaalsContact OG1-CB 3.32Å; T61-W65 WeakPolarHBondContact OG1-CB 3.32Å; T61-W65 VanDerWaalsContact OG1-CG 3.22Å
62	C	93.5	Very high	94.3	Very high	52 Å²	52	69.9 Å²	69.9	35%	0.351	33%	0.33	S	S	.	.			trans	-153.8	170.5	176.8	77.1	0	0	0	0	111.7	S64 W65 N66	C62-S64 VanDerWaalsContact C-N 3.32Å; C62-S64 PolarHBondContact O-N 3.04Å; C62-W65 PolarHBondContact O-N 3.35Å; C62-W65 PolarHBondContact SG-N 3.1Å; C62-W65 VanDerWaalsContact SG-N 3.43Å; C62-N66 WeakPolarHBondContact O-CB 3.48Å; C62-N66 PolarHBondContact O-N 3.47Å
63	R	93.8	Very high	94.3	Very high	230 Å²	230	71 Å²	71	87%	0.868	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-39.8	-179.4	-66.6	-177.6	-178.1	178.9	1.5	112.6	N66 Y67	R63-N66 PolarHBondContact O-N 3.39Å; R63-Y67 WeakPolarHBondContact O-CB 3.49Å; R63-Y67 PolarHBondContact O-N 2.73Å
64	S	93.3	Very high	94.2	Very high	30 Å²	30	67.7 Å²	67.7	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-48.4	178.8	176.4	0	0	0	0	111	N33 V35 E36 C62 N66 Y67 T68	N33-S64 PolarHBondContact ND2-OG 3.39Å; V35-S64 WeakPolarHBondContact CG1-OG 3.4Å; E36-S64 WeakPolarHBondContact OE1-CB 3.06Å; E36-S64 PolarHBondContact OE1-OG 2.78Å; C62-S64 VanDerWaalsContact C-N 3.32Å; C62-S64 PolarHBondContact O-N 3.04Å; S64-N66 PolarHBondContact O-N 3.12Å; S64-Y67 PolarHBondContact O-N 3.07Å; S64-T68 WeakPolarHBondContact O-CB 3.37Å; S64-T68 PolarHBondContact O-N 3.18Å; S64-T68 PolarHBondContact O-OG1 3.47Å
65	W	95.9	Very high	94.2	Very high	54 Å²	54	66.2 Å²	66.2	21%	0.205	33%	0.325	C	S	.	.	H	α-helix	trans	-64.7	-42.8	176.2	-73	39.4	0	0	0	112.1	N33 F34 V35 F47 A58 T61 C62 Y67 T68 I69	N33-W65 PolarHBondContact OD1-NE1 3.08Å; F34-W65 HydrophobicContact CD1-CH2 4.44Å; F34-W65 AromaticContact CD1-CZ2 3.81Å; F34-W65 HydrophobicContact CD1-CZ2 3.81Å; F34-W65 AromaticContact CE1-CE2 3.94Å; F34-W65 AromaticContact CE1-CH2 3.53Å; F34-W65 HydrophobicContact CE1-CH2 3.53Å; F34-W65 AromaticContact CE1-CZ2 3.21Å; F34-W65 HydrophobicContact CE1-CZ2 3.21Å; F34-W65 HydrophobicContact CE1-CZ3 4.45Å; F34-W65 HydrophobicContact CZ-CH2 4.22Å; F34-W65 HydrophobicContact CZ-CZ2 4Å; V35-W65 HydrophobicContact CG2-CD2 4.21Å; V35-W65 HydrophobicContact CG2-CG 3.98Å; V35-W65 VanDerWaalsContact CG2-NE1 3.31Å; F47-W65 HydrophobicContact CE1-CD2 4.27Å; F47-W65 AromaticContact CE1-CE3 3.73Å; F47-W65 HydrophobicContact CE1-CE3 3.73Å; F47-W65 AromaticContact CE1-CZ3 3.93Å; F47-W65 HydrophobicContact CE1-CZ3 3.93Å; F47-W65 AromaticContact CZ-CD2 3.86Å; F47-W65 HydrophobicContact CZ-CD2 3.86Å; F47-W65 AromaticContact CZ-CE3 3.8Å; F47-W65 HydrophobicContact CZ-CE3 3.8Å; F47-W65 HydrophobicContact CZ-CG 4.23Å; F47-W65 HydrophobicContact CZ-CZ3 4.33Å; A58-W65 HydrophobicContact CB-CE3 3.82Å; A58-W65 HydrophobicContact CB-CZ3 3.93Å; T61-W65 HydrophobicContact CG2-CE3 3.92Å; T61-W65 HydrophobicContact CG2-CZ3 4.01Å; T61-W65 VanDerWaalsContact OG1-CB 3.32Å; T61-W65 WeakPolarHBondContact OG1-CB 3.32Å; T61-W65 VanDerWaalsContact OG1-CG 3.22Å; C62-W65 PolarHBondContact O-N 3.35Å; C62-W65 PolarHBondContact SG-N 3.1Å; C62-W65 VanDerWaalsContact SG-N 3.43Å; W65-Y67 VanDerWaalsContact C-N 3.32Å; W65-Y67 PolarHBondContact O-N 3.01Å; W65-T68 PolarHBondContact O-N 2.75Å; W65-I69 HydrophobicContact CB-CD1 4.43Å; W65-I69 VanDerWaalsContact O-CB 3.31Å; W65-I69 WeakPolarHBondContact O-CB 3.4Å; W65-I69 WeakPolarHBondContact O-CG1 3.28Å; W65-I69 PolarHBondContact O-N 3.44Å
66	N	95.4	Very high	94.1	Very high	48 Å²	48	67 Å²	67	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-55.9	-49.9	176.2	-168.9	-94.6	0	0	0	110.9	S59 C62 R63 S64 R70	S59-N66 WeakPolarHBondContact O-CA 2.94Å; S59-N66 VanDerWaalsContact O-CB 3.23Å; S59-N66 WeakPolarHBondContact O-CB 3.02Å; S59-N66 PolarHBondContact O-ND2 3.4Å; C62-N66 WeakPolarHBondContact O-CB 3.48Å; C62-N66 PolarHBondContact O-N 3.47Å; R63-N66 PolarHBondContact O-N 3.39Å; S64-N66 PolarHBondContact O-N 3.12Å; N66-R70 WeakPolarHBondContact O-CB 3.36Å; N66-R70 WeakPolarHBondContact O-CG 3.27Å; N66-R70 PolarHBondContact O-N 2.64Å; N66-R70 WeakPolarHBondContact OD1-CD 3.46Å
67	Y	94	Very high	94.2	Very high	161 Å²	161	69.2 Å²	69.2	63%	0.631	33%	0.331	S	S	*	.	H	α-helix	trans	-61.2	-50.6	179.6	-177.7	-89	0	0	0	111.2	R63 S64 W65 I69 R70 N71	R63-Y67 WeakPolarHBondContact O-CB 3.49Å; R63-Y67 PolarHBondContact O-N 2.73Å; S64-Y67 PolarHBondContact O-N 3.07Å; W65-Y67 VanDerWaalsContact C-N 3.32Å; W65-Y67 PolarHBondContact O-N 3.01Å; Y67-I69 PolarHBondContact O-N 3.13Å; Y67-R70 PolarHBondContact O-N 3Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.4Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.5Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.44Å; Y67-N71 VanDerWaalsContact CG-ND2 3.34Å; Y67-N71 VanDerWaalsContact O-CB 3.27Å; Y67-N71 WeakPolarHBondContact O-CB 3.42Å; Y67-N71 VanDerWaalsContact O-CG 3.3Å; Y67-N71 PolarHBondContact O-N 3.27Å; Y67-N71 PolarHBondContact O-ND2 3.33Å; Y67-N71 VanDerWaalsContact O-ND2 3.12Å
68	T	93.9	Very high	94.1	Very high	18 Å²	18	66.2 Å²	66.2	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-46.3	-178.2	-63.6	0	0	0	0	112.3	V35 T43 F44 F47 S64 W65 C72	V35-T68 HydrophobicContact CG1-CG2 4.09Å; V35-T68 WeakPolarHBondContact CG1-OG1 3.41Å; T43-T68 HydrophobicContact CG2-CG2 3.67Å; F44-T68 HydrophobicContact CD1-CG2 4.06Å; F44-T68 HydrophobicContact CE1-CG2 3.59Å; F47-T68 HydrophobicContact CD2-CG2 4.31Å; F47-T68 HydrophobicContact CE2-CG2 3.96Å; S64-T68 WeakPolarHBondContact O-CB 3.37Å; S64-T68 PolarHBondContact O-N 3.18Å; S64-T68 PolarHBondContact O-OG1 3.47Å; W65-T68 PolarHBondContact O-N 2.75Å; T68-C72 WeakPolarHBondContact O-CB 2.8Å; T68-C72 PolarHBondContact O-N 3.05Å
69	I	95.2	Very high	94.1	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-70.9	-41.4	-179.2	-69.5	165.4	0	0	0	111.4	F47 A58 W65 Y67 L75 W76	F47-I69 HydrophobicContact CD1-CD1 4.01Å; F47-I69 HydrophobicContact CD1-CG1 4.14Å; F47-I69 HydrophobicContact CD2-CD1 4.49Å; F47-I69 HydrophobicContact CD2-CG1 3.85Å; F47-I69 HydrophobicContact CE1-CD1 3.74Å; F47-I69 HydrophobicContact CE1-CG1 4.14Å; F47-I69 HydrophobicContact CE2-CD1 4.23Å; F47-I69 HydrophobicContact CE2-CG1 3.83Å; F47-I69 HydrophobicContact CG-CD1 4.4Å; F47-I69 HydrophobicContact CG-CG1 4.01Å; F47-I69 HydrophobicContact CZ-CD1 3.85Å; F47-I69 HydrophobicContact CZ-CG1 3.99Å; A58-I69 HydrophobicContact CB-CD1 3.59Å; W65-I69 HydrophobicContact CB-CD1 4.43Å; W65-I69 VanDerWaalsContact O-CB 3.31Å; W65-I69 WeakPolarHBondContact O-CB 3.4Å; W65-I69 WeakPolarHBondContact O-CG1 3.28Å; W65-I69 PolarHBondContact O-N 3.44Å; Y67-I69 PolarHBondContact O-N 3.13Å; I69-L75 HydrophobicContact CG2-CD2 3.94Å; I69-W76 HydrophobicContact CG2-CH2 4.3Å; I69-W76 HydrophobicContact CG2-CZ2 3.67Å; I69-W76 PolarHBondContact O-NE1 3.28Å; I69-W76 VanDerWaalsContact O-NE1 3.08Å
70	R	91.9	Very high	94.1	Very high	112 Å²	112	66.4 Å²	66.4	42%	0.423	33%	0.327	S	S	.	.	H	α-helix	trans	-75.8	-29.4	-175.1	-71.3	-176.2	85.9	-171.9	6.5	113.1	N66 Y67 R102	N66-R70 WeakPolarHBondContact O-CB 3.36Å; N66-R70 WeakPolarHBondContact O-CG 3.27Å; N66-R70 PolarHBondContact O-N 2.64Å; N66-R70 WeakPolarHBondContact OD1-CD 3.46Å; Y67-R70 PolarHBondContact O-N 3Å; R70-R102 PolarHBondContact O-NH1 3.36Å
71	N	90.9	Very high	94	Very high	95 Å²	95	63.8 Å²	63.8	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-93.2	-9.6	-177	-63.8	-29.3	0	0	0	114	Y67 D73	Y67-N71 WeakPolarHBondContact CD2-ND2 3.4Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.5Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.44Å; Y67-N71 VanDerWaalsContact CG-ND2 3.34Å; Y67-N71 VanDerWaalsContact O-CB 3.27Å; Y67-N71 WeakPolarHBondContact O-CB 3.42Å; Y67-N71 VanDerWaalsContact O-CG 3.3Å; Y67-N71 PolarHBondContact O-N 3.27Å; Y67-N71 PolarHBondContact O-ND2 3.33Å; Y67-N71 VanDerWaalsContact O-ND2 3.12Å; N71-D73 PolarHBondContact O-N 3.35Å
72	C	91.6	Very high	94	Very high	9 Å²	9	65 Å²	65	6%	0.061	32%	0.319	C	S	.	.			trans	-89.1	90.5	173.1	-170	0	0	0	0	110.3	F44 T68 S74 L75	F44-C72 HydrophobicContact CD1-CB 4.01Å; F44-C72 HydrophobicContact CE1-CB 3.45Å; F44-C72 VanDerWaalsContact CE1-CB 3.45Å; F44-C72 HydrophobicContact CE2-CB 4.32Å; F44-C72 HydrophobicContact CZ-CB 3.6Å; F44-C72 VanDerWaalsContact CZ-SG 3.53Å; T68-C72 WeakPolarHBondContact O-CB 2.8Å; T68-C72 PolarHBondContact O-N 3.05Å; C72-S74 VanDerWaalsContact C-N 3.31Å; C72-S74 PolarHBondContact O-N 3.13Å; C72-S74 PolarHBondContact SG-OG 2.82Å; C72-S74 VanDerWaalsContact SG-OG 3.37Å; C72-L75 HydrophobicContact CB-CB 4.24Å; C72-L75 WeakPolarHBondContact O-CB 3.29Å; C72-L75 PolarHBondContact O-N 2.92Å
73	D	93.3	Very high	94.1	Very high	50 Å²	50	63 Å²	63	27%	0.267	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-67.7	-32.1	-176.1	-160.9	57.9	0	0	0	112.6	N71 L75 W76 S100 W101 R102	N71-D73 PolarHBondContact O-N 3.35Å; D73-L75 PolarHBondContact O-N 2.97Å; D73-W76 PolarHBondContact O-N 3.13Å; D73-S100 WeakPolarHBondContact OD1-CB 3.15Å; D73-S100 PolarHBondContact OD1-OG 3.47Å; D73-W101 VanDerWaalsContact CG-N 3.34Å; D73-W101 PolarHBondContact OD1-N 3.44Å; D73-W101 PolarHBondContact OD2-N 2.88Å; D73-R102 PolarHBondContact OD1-N 2.97Å; D73-R102 VanDerWaalsContact OD1-N 3.09Å
74	S	92.6	Very high	94.1	Very high	82 Å²	82	55.3 Å²	55.3	57%	0.573	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.9	177.5	57.9	0	0	0	0	113.6	C72 W76 K77 P78	C72-S74 VanDerWaalsContact C-N 3.31Å; C72-S74 PolarHBondContact O-N 3.13Å; C72-S74 PolarHBondContact SG-OG 2.82Å; C72-S74 VanDerWaalsContact SG-OG 3.37Å; S74-W76 PolarHBondContact O-N 2.91Å; S74-K77 PolarHBondContact O-N 2.88Å; S74-P78 WeakPolarHBondContact O-CD 3.02Å
75	L	94.7	Very high	94.2	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-59	-34.9	173.2	-167.4	87.7	0	0	0	111.9	F47 L55 I69 C72 D73	F47-L75 HydrophobicContact CB-CD1 3.57Å; F47-L75 HydrophobicContact CB-CD2 4.48Å; L55-L75 HydrophobicContact CD1-CD2 3.95Å; L55-L75 HydrophobicContact CD1-CG 4.28Å; L55-L75 HydrophobicContact CD2-CD2 3.66Å; L55-L75 HydrophobicContact CD2-CG 4.39Å; L55-L75 HydrophobicContact CG-CD2 4.44Å; I69-L75 HydrophobicContact CG2-CD2 3.94Å; C72-L75 HydrophobicContact CB-CB 4.24Å; C72-L75 WeakPolarHBondContact O-CB 3.29Å; C72-L75 PolarHBondContact O-N 2.92Å; D73-L75 PolarHBondContact O-N 2.97Å
76	W	95.2	Very high	94.1	Very high	16 Å²	16	57 Å²	57	6%	0.061	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-20.2	-174	-56.9	95	0	0	0	112.6	L55 I69 D73 S74 H79 C80 W101 R102 L105	L55-W76 HydrophobicContact CB-CH2 4.27Å; L55-W76 HydrophobicContact CB-CZ3 4.45Å; L55-W76 HydrophobicContact CD1-CZ3 4.29Å; I69-W76 HydrophobicContact CG2-CH2 4.3Å; I69-W76 HydrophobicContact CG2-CZ2 3.67Å; I69-W76 PolarHBondContact O-NE1 3.28Å; I69-W76 VanDerWaalsContact O-NE1 3.08Å; D73-W76 PolarHBondContact O-N 3.13Å; S74-W76 PolarHBondContact O-N 2.91Å; W76-H79 WeakPolarHBondContact O-CB 3.31Å; W76-H79 PolarHBondContact O-N 3.49Å; W76-H79 VanDerWaalsContact O-N 3.17Å; W76-C80 PolarHBondContact O-N 3.07Å; W76-C80 PolarHBondContact O-SG 3.41Å; W76-W101 HydrophobicContact CB-CB 3.88Å; W76-R102 HydrophobicContact CB-CB 4.37Å; W76-R102 HydrophobicContact CD2-CB 4.17Å; W76-R102 HydrophobicContact CD2-CG 3.84Å; W76-R102 HydrophobicContact CE3-CG 4.49Å; W76-R102 HydrophobicContact CG-CB 3.8Å; W76-R102 HydrophobicContact CG-CG 4.03Å; W76-R102 HydrophobicContact CZ2-CG 4.08Å; W76-L105 HydrophobicContact CE3-CD2 3.56Å; W76-L105 HydrophobicContact CZ3-CD2 4.07Å
77	K	94.9	Very high	94	Very high	104 Å²	104	54.7 Å²	54.7	45%	0.452	29%	0.289	S	S	.	.	H	α-helix	trans	-55.2	-50.4	-177.5	178.3	176.7	-177.2	179.6	0	113.4	S74 H79 C80 M81 W101	S74-K77 PolarHBondContact O-N 2.88Å; K77-H79 VanDerWaalsContact C-N 3.26Å; K77-H79 PolarHBondContact O-N 3.4Å; K77-C80 WeakPolarHBondContact O-CB 3.43Å; K77-C80 PolarHBondContact O-N 3.37Å; K77-C80 VanDerWaalsContact O-N 3.15Å; K77-M81 WeakPolarHBondContact O-CG 3.37Å; K77-M81 PolarHBondContact O-N 3.46Å; K77-W101 HydrophobicContact CB-CB 4.47Å; K77-W101 HydrophobicContact CB-CD2 3.82Å; K77-W101 HydrophobicContact CB-CE3 4.49Å; K77-W101 HydrophobicContact CB-CG 3.78Å; K77-W101 HydrophobicContact CD-CZ2 3.87Å; K77-W101 HydrophobicContact CG-CD2 3.91Å; K77-W101 HydrophobicContact CG-CE3 4.38Å; K77-W101 HydrophobicContact CG-CG 4.37Å; K77-W101 HydrophobicContact CG-CH2 4.24Å; K77-W101 HydrophobicContact CG-CZ2 3.8Å
78	P	94.9	Very high	94	Very high	76 Å²	76	54.9 Å²	54.9	49%	0.494	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-39.6	178.8	-24.4	35.1	0	0	0	112.7	S74 M81 T82	S74-P78 WeakPolarHBondContact O-CD 3.02Å; P78-M81 PolarHBondContact O-N 2.84Å; P78-T82 PolarHBondContact O-N 3.24Å; P78-T82 PolarHBondContact O-OG1 3.04Å
79	H	95	Very high	94.1	Very high	30 Å²	30	57.9 Å²	57.9	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-39.4	177.3	-62.1	-53.5	0	0	0	112.4	L50 I52 L55 W76 K77 M81 T82 V83 L105	L50-H79 PolarHBondContact O-CE1 3.49Å; L50-H79 VanDerWaalsContact O-CE1 3.27Å; L50-H79 PolarHBondContact O-NE2 2.93Å; I52-H79 HydrophobicContact CD1-CB 3.93Å; I52-H79 HydrophobicContact CG1-CB 3.85Å; L55-H79 VanDerWaalsContact CD1-NE2 3.31Å; L55-H79 WeakPolarHBondContact CD1-NE2 3.48Å; W76-H79 WeakPolarHBondContact O-CB 3.31Å; W76-H79 PolarHBondContact O-N 3.49Å; W76-H79 VanDerWaalsContact O-N 3.17Å; K77-H79 VanDerWaalsContact C-N 3.26Å; K77-H79 PolarHBondContact O-N 3.4Å; H79-M81 VanDerWaalsContact C-N 3.31Å; H79-M81 PolarHBondContact O-N 2.86Å; H79-T82 PolarHBondContact O-N 3.09Å; H79-V83 PolarHBondContact O-N 3.37Å; H79-V83 VanDerWaalsContact O-N 3.08Å; H79-L105 HydrophobicContact CB-CD1 4.17Å; H79-L105 HydrophobicContact CB-CD2 3.86Å
80	C	95.3	Very high	94	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-40.3	171.5	-68.6	0	0	0	0	112	W76 K77 T82 V83 R84 W101 L105	W76-C80 PolarHBondContact O-N 3.07Å; W76-C80 PolarHBondContact O-SG 3.41Å; K77-C80 WeakPolarHBondContact O-CB 3.43Å; K77-C80 PolarHBondContact O-N 3.37Å; K77-C80 VanDerWaalsContact O-N 3.15Å; C80-T82 VanDerWaalsContact C-N 3.3Å; C80-T82 PolarHBondContact O-N 3.18Å; C80-V83 PolarHBondContact O-N 3.09Å; C80-V83 VanDerWaalsContact O-N 3.15Å; C80-R84 WeakPolarHBondContact O-CB 3.33Å; C80-R84 PolarHBondContact O-N 3.45Å; C80-W101 HydrophobicContact CB-CD2 4.49Å; C80-W101 HydrophobicContact CB-CE3 3.41Å; C80-W101 VanDerWaalsContact CB-CE3 3.41Å; C80-W101 HydrophobicContact CB-CZ3 3.76Å; C80-W101 PolarHBondContact SG-O 3.01Å; C80-L105 VanDerWaalsContact SG-CB 3.57Å
81	M	94.6	Very high	94.2	Very high	86 Å²	86	53.1 Å²	53.1	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-35.2	177.8	-65.4	-52.4	-69	0	0	112.2	K77 P78 H79 R84 W101	K77-M81 WeakPolarHBondContact O-CG 3.37Å; K77-M81 PolarHBondContact O-N 3.46Å; P78-M81 PolarHBondContact O-N 2.84Å; H79-M81 VanDerWaalsContact C-N 3.31Å; H79-M81 PolarHBondContact O-N 2.86Å; M81-R84 PolarHBondContact O-N 3.23Å; M81-W101 HydrophobicContact SD-CH2 4.3Å; M81-W101 HydrophobicContact SD-CZ3 4.44Å
82	T	94.4	Very high	94.4	Very high	102 Å²	102	50.3 Å²	50.3	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-63.9	-44.8	171	-52.8	0	0	0	0	111.5	P78 H79 C80 R84 A85	P78-T82 PolarHBondContact O-N 3.24Å; P78-T82 PolarHBondContact O-OG1 3.04Å; H79-T82 PolarHBondContact O-N 3.09Å; C80-T82 VanDerWaalsContact C-N 3.3Å; C80-T82 PolarHBondContact O-N 3.18Å; T82-R84 VanDerWaalsContact C-N 3.32Å; T82-R84 PolarHBondContact O-N 3.38Å; T82-A85 WeakPolarHBondContact O-CB 3.36Å; T82-A85 PolarHBondContact O-N 3.41Å
83	V	95	Very high	94.6	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-36.6	177.6	166.6	0	0	0	0	112.1	H79 C80 A85 V86 C87 I91 L105 N108 S112	H79-V83 PolarHBondContact O-N 3.37Å; H79-V83 VanDerWaalsContact O-N 3.08Å; C80-V83 PolarHBondContact O-N 3.09Å; C80-V83 VanDerWaalsContact O-N 3.15Å; V83-A85 PolarHBondContact O-N 3.41Å; V83-V86 PolarHBondContact O-N 3.09Å; V83-C87 HydrophobicContact CG1-CB 4.43Å; V83-C87 PolarHBondContact O-N 2.93Å; V83-I91 HydrophobicContact CG1-CD1 3.82Å; V83-I91 HydrophobicContact CG1-CG1 4.13Å; V83-L105 HydrophobicContact CB-CD1 4.37Å; V83-L105 HydrophobicContact CG2-CD1 3.67Å; V83-N108 HydrophobicContact CG1-CB 4.12Å; V83-S112 WeakPolarHBondContact CG1-OG 3.26Å
84	R	95.1	Very high	94.8	Very high	68 Å²	68	51.3 Å²	51.3	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-24.9	178	-170.3	177	-179.6	-96.9	-2.6	113.4	C80 M81 T82 V86 R88 I91 D92	C80-R84 WeakPolarHBondContact O-CB 3.33Å; C80-R84 PolarHBondContact O-N 3.45Å; M81-R84 PolarHBondContact O-N 3.23Å; T82-R84 VanDerWaalsContact C-N 3.32Å; T82-R84 PolarHBondContact O-N 3.38Å; R84-V86 PolarHBondContact O-N 3.36Å; R84-R88 WeakPolarHBondContact O-CA 3.43Å; R84-R88 PolarHBondContact O-N 3.15Å; R84-I91 HydrophobicContact CB-CB 4.2Å; R84-I91 HydrophobicContact CB-CG1 4.23Å; R84-I91 HydrophobicContact CB-CG2 3.98Å; R84-I91 HydrophobicContact CG-CB 4.06Å; R84-I91 HydrophobicContact CG-CG2 3.92Å; R84-D92 IonicContact CZ-OD1 3.18Å; R84-D92 IonicContact CZ-OD2 3.7Å; R84-D92 IonicContact NE-OD1 2.7Å; R84-D92 PolarHBondContact NE-OD1 3.33Å; R84-D92 IonicContact NE-OD2 3.8Å; R84-D92 VanDerWaalsContact NH2-CG 3.27Å; R84-D92 IonicContact NH2-OD1 2.82Å; R84-D92 PolarHBondContact NH2-OD1 2.71Å; R84-D92 IonicContact NH2-OD2 2.84Å; R84-D92 PolarHBondContact NH2-OD2 3.39Å
85	A	94.1	Very high	94.9	Very high	90 Å²	90	50.2 Å²	50.2	74%	0.744	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.8	174.6	0	0	0	0	0	112.7	T82 V83	T82-A85 WeakPolarHBondContact O-CB 3.36Å; T82-A85 PolarHBondContact O-N 3.41Å; V83-A85 PolarHBondContact O-N 3.41Å
86	V	94	Very high	95	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.176	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-44.4	-178.8	178.2	0	0	0	0	111.3	V83 R84 K115 H116 L119	V83-V86 PolarHBondContact O-N 3.09Å; R84-V86 PolarHBondContact O-N 3.36Å; V86-K115 HydrophobicContact CG1-CB 3.87Å; V86-K115 HydrophobicContact CG1-CD 3.87Å; V86-K115 HydrophobicContact CG1-CG 3.73Å; V86-K115 WeakPolarHBondContact O-CE 3.36Å; V86-K115 PolarHBondContact O-NZ 3.42Å; V86-H116 HydrophobicContact CG1-CB 4.15Å; V86-H116 HydrophobicContact CG2-CB 4.16Å; V86-L119 HydrophobicContact CG1-CD1 4.26Å
87	C	94	Very high	95	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.316	C	S	.	.			trans	-109.4	64.2	-179.5	-74.7	0	0	0	0	110.3	V83 E90 I91 S112	V83-C87 HydrophobicContact CG1-CB 4.43Å; V83-C87 PolarHBondContact O-N 2.93Å; C87-E90 WeakPolarHBondContact CA-OE2 3.23Å; C87-E90 HydrophobicContact CB-CB 4.42Å; C87-E90 VanDerWaalsContact CB-OE2 3.27Å; C87-E90 WeakPolarHBondContact CB-OE2 3.49Å; C87-I91 HydrophobicContact CB-CG1 4.43Å; C87-I91 WeakPolarHBondContact O-CB 3.19Å; C87-I91 WeakPolarHBondContact O-CG1 3.33Å; C87-I91 PolarHBondContact O-N 3.28Å; C87-S112 WeakPolarHBondContact SG-CA 3.09Å
88	R	94.3	Very high	95.1	Very high	165 Å²	165	58.9 Å²	58.9	62%	0.623	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-52.9	-175.4	-178.4	176.5	174.8	176	-3.6	111.9	R84 E90 I91 D92	R84-R88 WeakPolarHBondContact O-CA 3.43Å; R84-R88 PolarHBondContact O-N 3.15Å; R88-E90 PolarHBondContact O-N 2.7Å; R88-I91 PolarHBondContact O-N 3.08Å; R88-D92 WeakPolarHBondContact CG-OD2 3.43Å; R88-D92 IonicContact NE-OD2 3.64Å; R88-D92 WeakPolarHBondContact O-CB 3.19Å; R88-D92 VanDerWaalsContact O-CG 3.29Å; R88-D92 PolarHBondContact O-N 2.99Å
89	R	94.7	Very high	95.1	Very high	81 Å²	81	59.9 Å²	59.9	31%	0.306	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-50	-176.8	-177.2	177.2	60.9	80	-7.9	111.1	I91 D92 D93 D141 T144	R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 PolarHBondContact O-N 3.15Å; R89-D92 PolarHBondContact O-N 3.31Å; R89-D93 IonicContact NH1-OD2 3.58Å; R89-D93 WeakPolarHBondContact O-CB 3.43Å; R89-D93 PolarHBondContact O-N 3.24Å; R89-D141 IonicContact CZ-OD1 3.59Å; R89-D141 VanDerWaalsContact NH2-CG 3.28Å; R89-D141 IonicContact NH2-OD1 3.86Å; R89-D141 PolarHBondContact NH2-OD1 2.75Å; R89-D141 IonicContact NH2-OD2 2.75Å; R89-D141 PolarHBondContact NH2-OD2 3.09Å; R89-T144 PolarHBondContact NH2-OG1 3.47Å
90	E	94.4	Very high	95.2	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-36.1	-175.9	-56.5	87.7	161.9	0	0	113	C87 R88 D94 N108 K111 T144	C87-E90 WeakPolarHBondContact CA-OE2 3.23Å; C87-E90 HydrophobicContact CB-CB 4.42Å; C87-E90 VanDerWaalsContact CB-OE2 3.27Å; C87-E90 WeakPolarHBondContact CB-OE2 3.49Å; R88-E90 PolarHBondContact O-N 2.7Å; E90-D94 WeakPolarHBondContact O-CB 3.47Å; E90-D94 PolarHBondContact O-N 3.45Å; E90-D94 VanDerWaalsContact O-N 3.09Å; E90-N108 VanDerWaalsContact CB-OD1 3.26Å; E90-N108 WeakPolarHBondContact CB-OD1 3.33Å; E90-K111 HydrophobicContact CG-CD 4.04Å; E90-K111 VanDerWaalsContact CG-NZ 3.26Å; E90-K111 WeakPolarHBondContact OE1-CE 3.35Å; E90-K111 IonicContact OE1-NZ 3.19Å; E90-K111 PolarHBondContact OE1-NZ 3.14Å; E90-T144 PolarHBondContact OE1-OG1 3.38Å
91	I	95.4	Very high	95.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-72.1	-40.5	176.8	-63.7	-70.6	0	0	0	110.7	V83 R84 C87 R88 R89 L95 I104 N108	V83-I91 HydrophobicContact CG1-CD1 3.82Å; V83-I91 HydrophobicContact CG1-CG1 4.13Å; R84-I91 HydrophobicContact CB-CB 4.2Å; R84-I91 HydrophobicContact CB-CG1 4.23Å; R84-I91 HydrophobicContact CB-CG2 3.98Å; R84-I91 HydrophobicContact CG-CB 4.06Å; R84-I91 HydrophobicContact CG-CG2 3.92Å; C87-I91 HydrophobicContact CB-CG1 4.43Å; C87-I91 WeakPolarHBondContact O-CB 3.19Å; C87-I91 WeakPolarHBondContact O-CG1 3.33Å; C87-I91 PolarHBondContact O-N 3.28Å; R88-I91 PolarHBondContact O-N 3.08Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 PolarHBondContact O-N 3.15Å; I91-L95 HydrophobicContact CG2-CD1 4.1Å; I91-L95 WeakPolarHBondContact O-CB 3.3Å; I91-L95 VanDerWaalsContact O-CG 3.25Å; I91-L95 WeakPolarHBondContact O-CG 3.24Å; I91-L95 PolarHBondContact O-N 3Å; I91-I104 HydrophobicContact CD1-CG2 3.34Å; I91-I104 HydrophobicContact CG2-CG2 4.14Å; I91-N108 HydrophobicContact CD1-CB 3.74Å
92	D	96	Very high	95.3	Very high	37 Å²	37	62 Å²	62	20%	0.198	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-43.4	177.3	-71.4	-15.1	0	0	0	110.6	R84 R88 R89 D94 L95 E96	R84-D92 IonicContact CZ-OD1 3.18Å; R84-D92 IonicContact CZ-OD2 3.7Å; R84-D92 IonicContact NE-OD1 2.7Å; R84-D92 PolarHBondContact NE-OD1 3.33Å; R84-D92 IonicContact NE-OD2 3.8Å; R84-D92 VanDerWaalsContact NH2-CG 3.27Å; R84-D92 IonicContact NH2-OD1 2.82Å; R84-D92 PolarHBondContact NH2-OD1 2.71Å; R84-D92 IonicContact NH2-OD2 2.84Å; R84-D92 PolarHBondContact NH2-OD2 3.39Å; R88-D92 WeakPolarHBondContact CG-OD2 3.43Å; R88-D92 IonicContact NE-OD2 3.64Å; R88-D92 WeakPolarHBondContact O-CB 3.19Å; R88-D92 VanDerWaalsContact O-CG 3.29Å; R88-D92 PolarHBondContact O-N 2.99Å; R89-D92 PolarHBondContact O-N 3.31Å; D92-D94 PolarHBondContact O-N 3.33Å; D92-L95 WeakPolarHBondContact O-CB 3.15Å; D92-L95 PolarHBondContact O-N 2.8Å; D92-E96 WeakPolarHBondContact O-CG 3.14Å; D92-E96 PolarHBondContact O-N 3.5Å
93	D	95.3	Very high	95.3	Very high	67 Å²	67	59.4 Å²	59.4	36%	0.358	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-45	175.7	-64.6	-17.8	0	0	0	112.2	R89 L95 E96 S97	R89-D93 IonicContact NH1-OD2 3.58Å; R89-D93 WeakPolarHBondContact O-CB 3.43Å; R89-D93 PolarHBondContact O-N 3.24Å; D93-L95 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 3.33Å; D93-E96 PolarHBondContact O-N 3.28Å; D93-S97 WeakPolarHBondContact O-CB 3.42Å; D93-S97 PolarHBondContact O-N 2.85Å; D93-S97 PolarHBondContact O-OG 3.45Å
94	D	96.1	Very high	95.4	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-29.2	178.1	-81.2	-26.8	0	0	0	111.8	E90 D92 S97 G98 Y99 I104 R107 N108	E90-D94 WeakPolarHBondContact O-CB 3.47Å; E90-D94 PolarHBondContact O-N 3.45Å; E90-D94 VanDerWaalsContact O-N 3.09Å; D92-D94 PolarHBondContact O-N 3.33Å; D94-S97 PolarHBondContact O-N 3.1Å; D94-G98 PolarHBondContact O-N 3.48Å; D94-Y99 HydrophobicContact CB-CD2 3.91Å; D94-Y99 WeakPolarHBondContact O-CD2 3.47Å; D94-Y99 PolarHBondContact O-N 3.48Å; D94-I104 HydrophobicContact CB-CD1 4.4Å; D94-I104 HydrophobicContact CB-CG1 3.9Å; D94-I104 HydrophobicContact CB-CG2 4.3Å; D94-R107 IonicContact OD1-CZ 2.62Å; D94-R107 IonicContact OD1-NE 3.05Å; D94-R107 PolarHBondContact OD1-NE 2.9Å; D94-R107 IonicContact OD1-NH2 2.71Å; D94-R107 PolarHBondContact OD1-NH2 3.2Å; D94-R107 IonicContact OD2-NE 3.25Å; D94-R107 PolarHBondContact OD2-NE 3.42Å; D94-N108 PolarHBondContact OD2-ND2 3.4Å
95	L	94.9	Very high	95.4	Very high	59 Å²	59	55.8 Å²	55.8	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-45.6	172.7	-79.3	168.7	0	0	0	111.6	I91 D92 D93 S97 G98 W101 I104	I91-L95 HydrophobicContact CG2-CD1 4.1Å; I91-L95 WeakPolarHBondContact O-CB 3.3Å; I91-L95 VanDerWaalsContact O-CG 3.25Å; I91-L95 WeakPolarHBondContact O-CG 3.24Å; I91-L95 PolarHBondContact O-N 3Å; D92-L95 WeakPolarHBondContact O-CB 3.15Å; D92-L95 PolarHBondContact O-N 2.8Å; D93-L95 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 3.33Å; L95-S97 PolarHBondContact O-N 3.39Å; L95-G98 PolarHBondContact O-N 2.91Å; L95-W101 HydrophobicContact CD1-CH2 3.92Å; L95-W101 HydrophobicContact CD1-CZ3 4.11Å; L95-W101 HydrophobicContact CD2-CE3 4.24Å; L95-W101 HydrophobicContact CD2-CH2 3.46Å; L95-W101 VanDerWaalsContact CD2-CH2 3.46Å; L95-W101 HydrophobicContact CD2-CZ2 3.87Å; L95-W101 HydrophobicContact CD2-CZ3 3.66Å; L95-W101 HydrophobicContact CG-CH2 4.26Å; L95-W101 HydrophobicContact CG-CZ3 4.28Å; L95-I104 HydrophobicContact CD2-CD1 3.53Å; L95-I104 HydrophobicContact CG-CD1 3.82Å
96	E	96.8	Very high	95.4	Very high	165 Å²	165	58.4 Å²	58.4	77%	0.771	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-33.3	174.6	-72	-178.5	-176.8	0	0	111.6	D92 D93 G98	D92-E96 WeakPolarHBondContact O-CG 3.14Å; D92-E96 PolarHBondContact O-N 3.5Å; D93-E96 PolarHBondContact O-N 3.28Å; E96-G98 PolarHBondContact O-N 3.34Å
97	S	96.7	Very high	95.4	Very high	80 Å²	80	62.5 Å²	62.5	56%	0.559	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.7	174.2	-58.5	0	0	0	0	114	D93 D94 L95	D93-S97 WeakPolarHBondContact O-CB 3.42Å; D93-S97 PolarHBondContact O-N 2.85Å; D93-S97 PolarHBondContact O-OG 3.45Å; D94-S97 PolarHBondContact O-N 3.1Å; L95-S97 PolarHBondContact O-N 3.39Å
98	G	95.6	Very high	95.4	Very high	65 Å²	65	62.9 Å²	62.9	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	22	175.9	0	0	0	0	0	114.9	D94 L95 E96	D94-G98 PolarHBondContact O-N 3.48Å; L95-G98 PolarHBondContact O-N 2.91Å; E96-G98 PolarHBondContact O-N 3.34Å
99	Y	96.6	Very high	95.4	Very high	97 Å²	97	58.1 Å²	58.1	38%	0.38	30%	0.296	S	S	.	.			trans	-70.5	150.8	175.1	-70.3	-65.8	0	0	0	112.2	D94 V103 I104	D94-Y99 HydrophobicContact CB-CD2 3.91Å; D94-Y99 WeakPolarHBondContact O-CD2 3.47Å; D94-Y99 PolarHBondContact O-N 3.48Å; Y99-V103 HydrophobicContact CD1-CG1 3.68Å; Y99-V103 HydrophobicContact CE1-CG1 4.36Å; Y99-V103 HydrophobicContact CG-CG1 4.09Å; Y99-I104 WeakPolarHBondContact O-CD1 2.97Å
100	S	96.1	Very high	95.2	Very high	45 Å²	45	58.1 Å²	58.1	32%	0.315	30%	0.3	S	S	.	.			trans	-70.8	152.2	172.6	107.3	0	0	0	0	111	D73 R102 V103 I104	D73-S100 WeakPolarHBondContact OD1-CB 3.15Å; D73-S100 PolarHBondContact OD1-OG 3.47Å; S100-R102 PolarHBondContact O-N 3.08Å; S100-R102 VanDerWaalsContact O-N 3.15Å; S100-R102 PolarHBondContact OG-N 3.31Å; S100-V103 PolarHBondContact O-N 3.49Å; S100-I104 VanDerWaalsContact O-CG1 3.3Å; S100-I104 WeakPolarHBondContact O-CG1 3.4Å; S100-I104 PolarHBondContact O-N 3.17Å
101	W	96.4	Very high	95.2	Very high	46 Å²	46	58.3 Å²	58.3	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-53	-41.1	179.6	-68.3	111.1	0	0	0	112.5	D73 W76 K77 C80 M81 L95 V103 I104 L105	D73-W101 VanDerWaalsContact CG-N 3.34Å; D73-W101 PolarHBondContact OD1-N 3.44Å; D73-W101 PolarHBondContact OD2-N 2.88Å; W76-W101 HydrophobicContact CB-CB 3.88Å; K77-W101 HydrophobicContact CB-CB 4.47Å; K77-W101 HydrophobicContact CB-CD2 3.82Å; K77-W101 HydrophobicContact CB-CE3 4.49Å; K77-W101 HydrophobicContact CB-CG 3.78Å; K77-W101 HydrophobicContact CD-CZ2 3.87Å; K77-W101 HydrophobicContact CG-CD2 3.91Å; K77-W101 HydrophobicContact CG-CE3 4.38Å; K77-W101 HydrophobicContact CG-CG 4.37Å; K77-W101 HydrophobicContact CG-CH2 4.24Å; K77-W101 HydrophobicContact CG-CZ2 3.8Å; C80-W101 HydrophobicContact CB-CD2 4.49Å; C80-W101 HydrophobicContact CB-CE3 3.41Å; C80-W101 VanDerWaalsContact CB-CE3 3.41Å; C80-W101 HydrophobicContact CB-CZ3 3.76Å; C80-W101 PolarHBondContact SG-O 3.01Å; M81-W101 HydrophobicContact SD-CH2 4.3Å; M81-W101 HydrophobicContact SD-CZ3 4.44Å; L95-W101 HydrophobicContact CD1-CH2 3.92Å; L95-W101 HydrophobicContact CD1-CZ3 4.11Å; L95-W101 HydrophobicContact CD2-CE3 4.24Å; L95-W101 HydrophobicContact CD2-CH2 3.46Å; L95-W101 VanDerWaalsContact CD2-CH2 3.46Å; L95-W101 HydrophobicContact CD2-CZ2 3.87Å; L95-W101 HydrophobicContact CD2-CZ3 3.66Å; L95-W101 HydrophobicContact CG-CH2 4.26Å; L95-W101 HydrophobicContact CG-CZ3 4.28Å; W101-V103 VanDerWaalsContact C-N 3.33Å; W101-V103 PolarHBondContact O-N 2.88Å; W101-I104 HydrophobicContact CE3-CD1 4.31Å; W101-I104 PolarHBondContact O-N 3.15Å; W101-L105 WeakPolarHBondContact O-CB 3.14Å; W101-L105 PolarHBondContact O-N 3.3Å
102	R	94.9	Very high	95.1	Very high	70 Å²	70	58.7 Å²	58.7	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.2	-165.9	-174.4	87.2	-150.8	2.3	112.6	R70 D73 W76 S100 L106	R70-R102 PolarHBondContact O-NH1 3.36Å; D73-R102 PolarHBondContact OD1-N 2.97Å; D73-R102 VanDerWaalsContact OD1-N 3.09Å; W76-R102 HydrophobicContact CB-CB 4.37Å; W76-R102 HydrophobicContact CD2-CB 4.17Å; W76-R102 HydrophobicContact CD2-CG 3.84Å; W76-R102 HydrophobicContact CE3-CG 4.49Å; W76-R102 HydrophobicContact CG-CB 3.8Å; W76-R102 HydrophobicContact CG-CG 4.03Å; W76-R102 HydrophobicContact CZ2-CG 4.08Å; S100-R102 PolarHBondContact O-N 3.08Å; S100-R102 VanDerWaalsContact O-N 3.15Å; S100-R102 PolarHBondContact OG-N 3.31Å; R102-L106 WeakPolarHBondContact O-CB 3.32Å; R102-L106 PolarHBondContact O-N 3.47Å; R102-L106 VanDerWaalsContact O-N 3.09Å
103	V	95.4	Very high	95	Very high	46 Å²	46	61.5 Å²	61.5	28%	0.279	31%	0.314	S	S	.	.	H	α-helix	trans	-68.9	-44.8	-179.2	173.8	0	0	0	0	110.4	Y99 S100 W101 L105 L106 R107	Y99-V103 HydrophobicContact CD1-CG1 3.68Å; Y99-V103 HydrophobicContact CE1-CG1 4.36Å; Y99-V103 HydrophobicContact CG-CG1 4.09Å; S100-V103 PolarHBondContact O-N 3.49Å; W101-V103 VanDerWaalsContact C-N 3.33Å; W101-V103 PolarHBondContact O-N 2.88Å; V103-L105 VanDerWaalsContact C-N 3.32Å; V103-L105 PolarHBondContact O-N 3.38Å; V103-L106 PolarHBondContact O-N 3.04Å; V103-R107 HydrophobicContact CG1-CG 4.41Å; V103-R107 VanDerWaalsContact O-CG 3.3Å; V103-R107 WeakPolarHBondContact O-CG 3.5Å; V103-R107 PolarHBondContact O-N 3.22Å
104	I	96.5	Very high	94.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.9	-48.9	174.7	-64.1	178.5	0	0	0	110.4	I91 D94 L95 Y99 S100 W101 L106 R107 N108	I91-I104 HydrophobicContact CD1-CG2 3.34Å; I91-I104 HydrophobicContact CG2-CG2 4.14Å; D94-I104 HydrophobicContact CB-CD1 4.4Å; D94-I104 HydrophobicContact CB-CG1 3.9Å; D94-I104 HydrophobicContact CB-CG2 4.3Å; L95-I104 HydrophobicContact CD2-CD1 3.53Å; L95-I104 HydrophobicContact CG-CD1 3.82Å; Y99-I104 WeakPolarHBondContact O-CD1 2.97Å; S100-I104 VanDerWaalsContact O-CG1 3.3Å; S100-I104 WeakPolarHBondContact O-CG1 3.4Å; S100-I104 PolarHBondContact O-N 3.17Å; W101-I104 HydrophobicContact CE3-CD1 4.31Å; W101-I104 PolarHBondContact O-N 3.15Å; I104-L106 PolarHBondContact O-N 3.34Å; I104-R107 PolarHBondContact O-N 3.31Å; I104-N108 PolarHBondContact O-N 2.91Å; I104-N108 PolarHBondContact O-ND2 3.4Å
105	L	95.4	Very high	94.8	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-48.3	179.3	-169.1	63.7	0	0	0	111.2	I52 W76 H79 C80 V83 W101 V103 R107 N108 Y109	I52-L105 HydrophobicContact CD1-CD1 4.18Å; I52-L105 HydrophobicContact CD1-CD2 4.11Å; I52-L105 HydrophobicContact CG1-CD2 4.14Å; I52-L105 HydrophobicContact CG2-CD2 4.33Å; W76-L105 HydrophobicContact CE3-CD2 3.56Å; W76-L105 HydrophobicContact CZ3-CD2 4.07Å; H79-L105 HydrophobicContact CB-CD1 4.17Å; H79-L105 HydrophobicContact CB-CD2 3.86Å; C80-L105 VanDerWaalsContact SG-CB 3.57Å; V83-L105 HydrophobicContact CB-CD1 4.37Å; V83-L105 HydrophobicContact CG2-CD1 3.67Å; W101-L105 WeakPolarHBondContact O-CB 3.14Å; W101-L105 PolarHBondContact O-N 3.3Å; V103-L105 VanDerWaalsContact C-N 3.32Å; V103-L105 PolarHBondContact O-N 3.38Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 2.74Å; L105-N108 PolarHBondContact O-N 3.05Å; L105-Y109 WeakPolarHBondContact O-CA 3.48Å; L105-Y109 VanDerWaalsContact O-CB 3.23Å; L105-Y109 WeakPolarHBondContact O-CB 3.28Å; L105-Y109 PolarHBondContact O-N 2.81Å
106	L	93.7	Very high	94.7	Very high	144 Å²	144	59.9 Å²	59.9	75%	0.754	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-41	-176.7	-178.2	63.3	0	0	0	112.1	R102 V103 I104 N108	R102-L106 WeakPolarHBondContact O-CB 3.32Å; R102-L106 PolarHBondContact O-N 3.47Å; R102-L106 VanDerWaalsContact O-N 3.09Å; V103-L106 PolarHBondContact O-N 3.04Å; I104-L106 PolarHBondContact O-N 3.34Å; L106-N108 VanDerWaalsContact C-N 3.35Å
107	R	93.8	Very high	94.5	Very high	115 Å²	115	54.2 Å²	54.2	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-37.2	179.2	-70.4	164.9	67.4	100.3	-7.3	112.1	D94 V103 I104 L105	D94-R107 IonicContact OD1-CZ 2.62Å; D94-R107 IonicContact OD1-NE 3.05Å; D94-R107 PolarHBondContact OD1-NE 2.9Å; D94-R107 IonicContact OD1-NH2 2.71Å; D94-R107 PolarHBondContact OD1-NH2 3.2Å; D94-R107 IonicContact OD2-NE 3.25Å; D94-R107 PolarHBondContact OD2-NE 3.42Å; V103-R107 HydrophobicContact CG1-CG 4.41Å; V103-R107 VanDerWaalsContact O-CG 3.3Å; V103-R107 WeakPolarHBondContact O-CG 3.5Å; V103-R107 PolarHBondContact O-N 3.22Å; I104-R107 PolarHBondContact O-N 3.31Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 2.74Å
108	N	95.1	Very high	94.3	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-105.6	-6	-169.7	-65.1	-68	0	0	0	114.7	V83 E90 I91 D94 I104 L105 L106 K111 S112	V83-N108 HydrophobicContact CG1-CB 4.12Å; E90-N108 VanDerWaalsContact CB-OD1 3.26Å; E90-N108 WeakPolarHBondContact CB-OD1 3.33Å; I91-N108 HydrophobicContact CD1-CB 3.74Å; D94-N108 PolarHBondContact OD2-ND2 3.4Å; I104-N108 PolarHBondContact O-N 2.91Å; I104-N108 PolarHBondContact O-ND2 3.4Å; L105-N108 PolarHBondContact O-N 3.05Å; L106-N108 VanDerWaalsContact C-N 3.35Å; N108-K111 PolarHBondContact O-N 2.82Å; N108-S112 VanDerWaalsContact O-CB 3.28Å; N108-S112 WeakPolarHBondContact O-CB 3.25Å; N108-S112 PolarHBondContact O-N 2.84Å; N108-S112 PolarHBondContact O-OG 3.29Å
109	Y	93.4	Very high	94.2	Very high	65 Å²	65	52.1 Å²	52.1	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-49.1	-174	-175	-110.4	0	0	0	112.7	I52 L105 S112 K113	I52-Y109 HydrophobicContact CB-CE2 4.37Å; I52-Y109 HydrophobicContact CD1-CD2 3.9Å; I52-Y109 HydrophobicContact CD1-CE2 3.44Å; I52-Y109 VanDerWaalsContact CD1-CE2 3.44Å; I52-Y109 HydrophobicContact CG2-CE2 4.09Å; L105-Y109 WeakPolarHBondContact O-CA 3.48Å; L105-Y109 VanDerWaalsContact O-CB 3.23Å; L105-Y109 WeakPolarHBondContact O-CB 3.28Å; L105-Y109 PolarHBondContact O-N 2.81Å; Y109-S112 PolarHBondContact O-OG 3.25Å; Y109-K113 HydrophobicContact CE1-CD 4.39Å; Y109-K113 WeakPolarHBondContact O-CG 3.39Å; Y109-K113 PolarHBondContact O-N 3.05Å; Y109-K113 WeakPolarHBondContact OH-CE 3.3Å; Y109-K113 PolarHBondContact OH-NZ 2.9Å
110	Q	91.7	Very high	93.9	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-69.9	-40.4	-179	-173.1	62.3	20.5	0	0	111.3	S112 K113 V114 Y138	Q110-S112 PolarHBondContact O-N 3Å; Q110-K113 PolarHBondContact O-N 2.93Å; Q110-V114 PolarHBondContact O-N 2.94Å; Q110-V114 VanDerWaalsContact O-N 3.09Å; Q110-Y138 HydrophobicContact CB-CD2 3.98Å; Q110-Y138 HydrophobicContact CB-CE2 3.7Å; Q110-Y138 HydrophobicContact CG-CD2 3.3Å; Q110-Y138 HydrophobicContact CG-CE2 3.51Å; Q110-Y138 HydrophobicContact CG-CG 4.1Å
111	K	93.1	Very high	93.6	Very high	16 Å²	16	49 Å²	49	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-50.7	175.9	-168.4	177	-172.9	-177.1	0	110.9	E90 N108 K113 V114 K115 Y138 M140 D141 T144	E90-K111 HydrophobicContact CG-CD 4.04Å; E90-K111 VanDerWaalsContact CG-NZ 3.26Å; E90-K111 WeakPolarHBondContact OE1-CE 3.35Å; E90-K111 IonicContact OE1-NZ 3.19Å; E90-K111 PolarHBondContact OE1-NZ 3.14Å; N108-K111 PolarHBondContact O-N 2.82Å; K111-K113 PolarHBondContact O-N 2.94Å; K111-V114 PolarHBondContact O-N 3.31Å; K111-K115 WeakPolarHBondContact O-CB 3.48Å; K111-K115 PolarHBondContact O-N 3.45Å; K111-Y138 HydrophobicContact CB-CD1 3.91Å; K111-Y138 HydrophobicContact CB-CE1 3.69Å; K111-Y138 HydrophobicContact CG-CD1 4.14Å; K111-Y138 HydrophobicContact CG-CE1 4.16Å; K111-M140 HydrophobicContact CD-CG 4.39Å; K111-M140 HydrophobicContact CG-CE 3.94Å; K111-M140 HydrophobicContact CG-CG 3.95Å; K111-M140 HydrophobicContact CG-SD 3.77Å; K111-M140 WeakPolarHBondContact O-CE 3.44Å; K111-D141 IonicContact NZ-OD2 2.81Å; K111-D141 PolarHBondContact NZ-OD2 2.92Å; K111-T144 VanDerWaalsContact CE-OG1 3.25Å; K111-T144 WeakPolarHBondContact CE-OG1 3.44Å; K111-T144 PolarHBondContact NZ-OG1 3.47Å
112	S	94.4	Very high	93.1	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-35.6	-178.8	61.7	0	0	0	0	113.6	V83 C87 N108 Y109 Q110 H116	V83-S112 WeakPolarHBondContact CG1-OG 3.26Å; C87-S112 WeakPolarHBondContact SG-CA 3.09Å; N108-S112 VanDerWaalsContact O-CB 3.28Å; N108-S112 WeakPolarHBondContact O-CB 3.25Å; N108-S112 PolarHBondContact O-N 2.84Å; N108-S112 PolarHBondContact O-OG 3.29Å; Y109-S112 PolarHBondContact O-OG 3.25Å; Q110-S112 PolarHBondContact O-N 3Å; S112-H116 WeakPolarHBondContact O-CB 3.12Å; S112-H116 PolarHBondContact O-N 3.17Å
113	K	92.9	Very high	92.7	Very high	97 Å²	97	51.9 Å²	51.9	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-60.2	-54.1	171.7	-77.1	-138.2	177.8	178.3	0	111.6	Y109 Q110 K111 K115 H116 E117	Y109-K113 HydrophobicContact CE1-CD 4.39Å; Y109-K113 WeakPolarHBondContact O-CG 3.39Å; Y109-K113 PolarHBondContact O-N 3.05Å; Y109-K113 WeakPolarHBondContact OH-CE 3.3Å; Y109-K113 PolarHBondContact OH-NZ 2.9Å; Q110-K113 PolarHBondContact O-N 2.93Å; K111-K113 PolarHBondContact O-N 2.94Å; K113-K115 VanDerWaalsContact C-N 3.35Å; K113-K115 PolarHBondContact O-N 3.22Å; K113-H116 PolarHBondContact O-N 2.93Å; K113-E117 VanDerWaalsContact O-CG 3.29Å; K113-E117 WeakPolarHBondContact O-CG 3.27Å; K113-E117 PolarHBondContact O-N 3.25Å
114	V	92.8	Very high	92.1	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-47.5	-178.3	171	0	0	0	0	110.5	Q110 K111 H116 E117 W118 T136 M140	Q110-V114 PolarHBondContact O-N 2.94Å; Q110-V114 VanDerWaalsContact O-N 3.09Å; K111-V114 PolarHBondContact O-N 3.31Å; V114-H116 VanDerWaalsContact C-N 3.34Å; V114-H116 PolarHBondContact O-N 3.45Å; V114-E117 PolarHBondContact O-N 2.84Å; V114-W118 PolarHBondContact O-N 3.24Å; V114-W118 VanDerWaalsContact O-N 3.1Å; V114-T136 WeakPolarHBondContact CG1-O 3.4Å; V114-M140 HydrophobicContact CB-CE 3.58Å; V114-M140 HydrophobicContact CG1-CE 3.51Å
115	K	94.1	Very high	91.3	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-44.6	177.4	-173.6	175.1	-174.8	-168.1	0	112	V86 K111 K113 E117 W118 L119 M140 T144 E147 I148	V86-K115 HydrophobicContact CG1-CB 3.87Å; V86-K115 HydrophobicContact CG1-CD 3.87Å; V86-K115 HydrophobicContact CG1-CG 3.73Å; V86-K115 WeakPolarHBondContact O-CE 3.36Å; V86-K115 PolarHBondContact O-NZ 3.42Å; K111-K115 WeakPolarHBondContact O-CB 3.48Å; K111-K115 PolarHBondContact O-N 3.45Å; K113-K115 VanDerWaalsContact C-N 3.35Å; K113-K115 PolarHBondContact O-N 3.22Å; K115-E117 PolarHBondContact O-N 2.94Å; K115-W118 PolarHBondContact O-N 3.2Å; K115-L119 HydrophobicContact CG-CD1 3.9Å; K115-L119 HydrophobicContact CG-CG 4.32Å; K115-L119 WeakPolarHBondContact O-CB 3.29Å; K115-L119 VanDerWaalsContact O-CG 3.29Å; K115-L119 WeakPolarHBondContact O-CG 3.47Å; K115-L119 PolarHBondContact O-N 2.81Å; K115-M140 HydrophobicContact CB-CE 4.36Å; K115-T144 HydrophobicContact CD-CG2 3.84Å; K115-E147 WeakPolarHBondContact CE-OE2 3.22Å; K115-E147 IonicContact NZ-OE2 3.41Å; K115-E147 PolarHBondContact NZ-OE2 3.24Å; K115-I148 HydrophobicContact CB-CD1 4.36Å; K115-I148 HydrophobicContact CG-CD1 4.04Å; K115-I148 HydrophobicContact CG-CG1 4.04Å
116	H	94.1	Very high	90.6	Very high	96 Å²	96	60.5 Å²	60.5	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-44.4	176.7	177	-83.2	0	0	0	112.3	V86 S112 K113 V114 W118 L119 S120	V86-H116 HydrophobicContact CG1-CB 4.15Å; V86-H116 HydrophobicContact CG2-CB 4.16Å; S112-H116 WeakPolarHBondContact O-CB 3.12Å; S112-H116 PolarHBondContact O-N 3.17Å; K113-H116 PolarHBondContact O-N 2.93Å; V114-H116 VanDerWaalsContact C-N 3.34Å; V114-H116 PolarHBondContact O-N 3.45Å; H116-W118 VanDerWaalsContact C-N 3.32Å; H116-W118 PolarHBondContact O-N 3.47Å; H116-L119 PolarHBondContact O-N 3.35Å; H116-S120 VanDerWaalsContact O-CB 3.27Å; H116-S120 WeakPolarHBondContact O-CB 3.38Å; H116-S120 PolarHBondContact O-N 3.32Å; H116-S120 PolarHBondContact O-OG 3.42Å
117	E	92.3	Very high	89.7	Confident	47 Å²	47	59.9 Å²	59.9	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-41.7	178.9	-63.6	-64.9	163.2	0	0	111.4	K113 V114 K115 S120 R122 Y123	K113-E117 VanDerWaalsContact O-CG 3.29Å; K113-E117 WeakPolarHBondContact O-CG 3.27Å; K113-E117 PolarHBondContact O-N 3.25Å; V114-E117 PolarHBondContact O-N 2.84Å; K115-E117 PolarHBondContact O-N 2.94Å; E117-S120 PolarHBondContact O-N 3.01Å; E117-S120 PolarHBondContact O-OG 3.07Å; E117-R122 WeakPolarHBondContact O-CB 3.34Å; E117-R122 PolarHBondContact O-N 3.11Å; E117-R122 IonicContact OE1-NH1 3.33Å; E117-R122 PolarHBondContact OE1-NH1 3.19Å; E117-R122 WeakPolarHBondContact OE2-CD 3.39Å; E117-R122 IonicContact OE2-CZ 3.58Å; E117-R122 IonicContact OE2-NE 3.62Å; E117-R122 IonicContact OE2-NH1 2.73Å; E117-R122 PolarHBondContact OE2-NH1 3.41Å; E117-Y123 HydrophobicContact CB-CD2 4.3Å; E117-Y123 HydrophobicContact CB-CE2 3.48Å; E117-Y123 VanDerWaalsContact CB-CE2 3.48Å
118	W	92	Very high	89	Confident	40 Å²	40	56.4 Å²	56.4	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-53.2	172.2	-78.9	102	0	0	0	112	V114 K115 H116 S120 G121 Y123 I126 L132 T136 M137 W145 I148	V114-W118 PolarHBondContact O-N 3.24Å; V114-W118 VanDerWaalsContact O-N 3.1Å; K115-W118 PolarHBondContact O-N 3.2Å; H116-W118 VanDerWaalsContact C-N 3.32Å; H116-W118 PolarHBondContact O-N 3.47Å; W118-S120 PolarHBondContact O-N 3.15Å; W118-G121 PolarHBondContact O-N 3.2Å; W118-Y123 AromaticContact CD1-CD2 3.95Å; W118-Y123 AromaticContact CD2-CD2 3.59Å; W118-Y123 HydrophobicContact CD2-CD2 3.59Å; W118-Y123 HydrophobicContact CD2-CG 4.34Å; W118-Y123 AromaticContact CE2-CD2 3.59Å; W118-Y123 HydrophobicContact CE3-CD2 4.08Å; W118-Y123 HydrophobicContact CE3-CG 4.4Å; W118-Y123 AromaticContact CG-CD2 3.81Å; W118-Y123 HydrophobicContact CG-CD2 3.81Å; W118-Y123 HydrophobicContact CG-CE2 4.42Å; W118-Y123 HydrophobicContact CZ2-CD2 4.07Å; W118-Y123 HydrophobicContact CZ2-CG 4.45Å; W118-Y123 HydrophobicContact CZ3-CG 4.49Å; W118-Y123 AromaticContact NE1-CD2 3.79Å; W118-I126 HydrophobicContact CH2-CD1 4.39Å; W118-L132 HydrophobicContact CH2-CD2 4.26Å; W118-L132 HydrophobicContact CZ2-CD2 4.39Å; W118-T136 PolarHBondContact NE1-O 3.24Å; W118-M137 HydrophobicContact CH2-CE 4.44Å; W118-M137 HydrophobicContact CZ2-CE 3.82Å; W118-M137 HydrophobicContact CZ2-SD 4.39Å; W118-W145 AromaticContact NE1-CH2 3.94Å; W118-W145 AromaticContact NE1-CZ3 3.91Å; W118-I148 HydrophobicContact CB-CD1 4.27Å; W118-I148 HydrophobicContact CB-CG1 4.38Å; W118-I148 HydrophobicContact CB-CG2 3.65Å; W118-I148 HydrophobicContact CD2-CG2 4.24Å; W118-I148 HydrophobicContact CE3-CG2 4.29Å; W118-I148 HydrophobicContact CG-CD1 4.42Å; W118-I148 HydrophobicContact CG-CG2 3.99Å
119	L	92.6	Very high	88	Confident	61 Å²	61	61.3 Å²	61.3	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-26.3	-179.5	-67	177.2	0	0	0	113.4	V86 K115 H116 G121 A151 R155	V86-L119 HydrophobicContact CG1-CD1 4.26Å; K115-L119 HydrophobicContact CG-CD1 3.9Å; K115-L119 HydrophobicContact CG-CG 4.32Å; K115-L119 WeakPolarHBondContact O-CB 3.29Å; K115-L119 VanDerWaalsContact O-CG 3.29Å; K115-L119 WeakPolarHBondContact O-CG 3.47Å; K115-L119 PolarHBondContact O-N 2.81Å; H116-L119 PolarHBondContact O-N 3.35Å; L119-G121 PolarHBondContact O-N 2.96Å; L119-A151 HydrophobicContact CD2-CB 3.45Å; L119-A151 VanDerWaalsContact CD2-CB 3.45Å; L119-R155 PolarHBondContact O-NH2 3.08Å
120	S	91.6	Very high	87.3	Confident	59 Å²	59	65.7 Å²	65.7	41%	0.413	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.1	174.2	74.6	0	0	0	0	113.2	H116 E117 W118 R122	H116-S120 VanDerWaalsContact O-CB 3.27Å; H116-S120 WeakPolarHBondContact O-CB 3.38Å; H116-S120 PolarHBondContact O-N 3.32Å; H116-S120 PolarHBondContact O-OG 3.42Å; E117-S120 PolarHBondContact O-N 3.01Å; E117-S120 PolarHBondContact O-OG 3.07Å; W118-S120 PolarHBondContact O-N 3.15Å; S120-R122 VanDerWaalsContact C-N 3.31Å; S120-R122 PolarHBondContact OG-N 3.36Å
121	G	89.2	Confident	86.6	Confident	18 Å²	18	65.3 Å²	65.3	19%	0.186	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	12.7	-176.3	0	0	0	0	0	113.6	W118 L119 Y123 S124	W118-G121 PolarHBondContact O-N 3.2Å; L119-G121 PolarHBondContact O-N 2.96Å; G121-Y123 PolarHBondContact O-N 3.07Å; G121-Y123 VanDerWaalsContact O-N 3.15Å; G121-S124 VanDerWaalsContact CA-OG 3.22Å; G121-S124 WeakPolarHBondContact CA-OG 3.27Å; G121-S124 WeakPolarHBondContact O-CB 3.37Å; G121-S124 PolarHBondContact O-N 3.3Å; G121-S124 VanDerWaalsContact O-N 3.08Å; G121-S124 PolarHBondContact O-OG 2.84Å
122	R	86.6	Confident	85.8	Confident	155 Å²	155	67 Å²	67	59%	0.585	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.2	177.4	-176.3	174.1	-175.8	171.6	3.1	112.6	E117 S120	E117-R122 WeakPolarHBondContact O-CB 3.34Å; E117-R122 PolarHBondContact O-N 3.11Å; E117-R122 IonicContact OE1-NH1 3.33Å; E117-R122 PolarHBondContact OE1-NH1 3.19Å; E117-R122 WeakPolarHBondContact OE2-CD 3.39Å; E117-R122 IonicContact OE2-CZ 3.58Å; E117-R122 IonicContact OE2-NE 3.62Å; E117-R122 IonicContact OE2-NH1 2.73Å; E117-R122 PolarHBondContact OE2-NH1 3.41Å; S120-R122 VanDerWaalsContact C-N 3.31Å; S120-R122 PolarHBondContact OG-N 3.36Å
123	Y	85.3	Confident	84.8	Confident	20 Å²	20	69.6 Å²	69.6	8%	0.078	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	15.4	-178.9	-54.3	-42.7	0	0	0	112.2	E117 W118 G121 I126 P133 T136	E117-Y123 HydrophobicContact CB-CD2 4.3Å; E117-Y123 HydrophobicContact CB-CE2 3.48Å; E117-Y123 VanDerWaalsContact CB-CE2 3.48Å; W118-Y123 AromaticContact CD1-CD2 3.95Å; W118-Y123 AromaticContact CD2-CD2 3.59Å; W118-Y123 HydrophobicContact CD2-CD2 3.59Å; W118-Y123 HydrophobicContact CD2-CG 4.34Å; W118-Y123 AromaticContact CE2-CD2 3.59Å; W118-Y123 HydrophobicContact CE3-CD2 4.08Å; W118-Y123 HydrophobicContact CE3-CG 4.4Å; W118-Y123 AromaticContact CG-CD2 3.81Å; W118-Y123 HydrophobicContact CG-CD2 3.81Å; W118-Y123 HydrophobicContact CG-CE2 4.42Å; W118-Y123 HydrophobicContact CZ2-CD2 4.07Å; W118-Y123 HydrophobicContact CZ2-CG 4.45Å; W118-Y123 HydrophobicContact CZ3-CG 4.49Å; W118-Y123 AromaticContact NE1-CD2 3.79Å; G121-Y123 PolarHBondContact O-N 3.07Å; G121-Y123 VanDerWaalsContact O-N 3.15Å; Y123-I126 WeakPolarHBondContact O-CD1 3.05Å; Y123-I126 VanDerWaalsContact O-CG1 3.24Å; Y123-I126 WeakPolarHBondContact O-CG1 3.15Å; Y123-P133 HydrophobicContact CE1-CG 4.03Å; Y123-T136 HydrophobicContact CD1-CG2 3.89Å; Y123-T136 HydrophobicContact CD2-CG2 4.32Å; Y123-T136 HydrophobicContact CE1-CG2 3.47Å; Y123-T136 VanDerWaalsContact CE1-CG2 3.47Å; Y123-T136 HydrophobicContact CE2-CG2 3.92Å; Y123-T136 HydrophobicContact CG-CG2 4.3Å; Y123-T136 VanDerWaalsContact CZ-CG2 3.48Å
124	S	83.6	Confident	83.8	Confident	20 Å²	20	74.3 Å²	74.3	14%	0.14	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	154.1	172.1	-57.7	0	0	0	0	110.5	G121 I126 E152	G121-S124 VanDerWaalsContact CA-OG 3.22Å; G121-S124 WeakPolarHBondContact CA-OG 3.27Å; G121-S124 WeakPolarHBondContact O-CB 3.37Å; G121-S124 PolarHBondContact O-N 3.3Å; G121-S124 VanDerWaalsContact O-N 3.08Å; G121-S124 PolarHBondContact O-OG 2.84Å; S124-I126 VanDerWaalsContact C-N 3.3Å; S124-I126 PolarHBondContact O-N 2.99Å; S124-E152 WeakPolarHBondContact CA-OE1 3.39Å; S124-E152 WeakPolarHBondContact CB-OE1 3.46Å; S124-E152 VanDerWaalsContact OG-CD 3.29Å; S124-E152 PolarHBondContact OG-OE1 3.22Å; S124-E152 PolarHBondContact OG-OE2 2.82Å
125	N	80	Confident	82.8	Confident	149 Å²	149	82.1 Å²	82.1	80%	0.797	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	32.4	175	-57.1	-60.6	0	0	0	115.7	C127	N125-C127 PolarHBondContact O-N 3.44Å; N125-C127 VanDerWaalsContact O-N 3.14Å
126	I	79.8	Confident	81.9	Confident	64 Å²	64	82.4 Å²	82.4	33%	0.328	44%	0.441	S	S	.	.			trans	-65.1	114.5	175.1	-68.1	161.6	0	0	0	109.8	W118 Y123 S124 S128 S131 L132	W118-I126 HydrophobicContact CH2-CD1 4.39Å; Y123-I126 WeakPolarHBondContact O-CD1 3.05Å; Y123-I126 VanDerWaalsContact O-CG1 3.24Å; Y123-I126 WeakPolarHBondContact O-CG1 3.15Å; S124-I126 VanDerWaalsContact C-N 3.3Å; S124-I126 PolarHBondContact O-N 2.99Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 WeakPolarHBondContact CG2-O 3.37Å; I126-S131 WeakPolarHBondContact CG2-OG 3.43Å; I126-L132 HydrophobicContact CD1-CD1 4.29Å; I126-L132 HydrophobicContact CD1-CD2 3.2Å; I126-L132 HydrophobicContact CD1-CG 3.66Å; I126-L132 HydrophobicContact CG1-CD2 4.36Å; I126-L132 HydrophobicContact CG2-CG 4.17Å
127	C	75.2	Confident	81.3	Confident	131 Å²	131	83 Å²	83	89%	0.885	45%	0.445	S	S	*	.			trans	-80.3	-15.4	179.2	-55.2	0	0	0	0	113.5	N125	N125-C127 PolarHBondContact O-N 3.44Å; N125-C127 VanDerWaalsContact O-N 3.14Å
128	S	79	Confident	80.9	Confident	42 Å²	42	84.6 Å²	84.6	29%	0.294	45%	0.449	S	S	.	.			trans	-158.5	144.5	-176.9	-177.2	0	0	0	0	112.4	I126 I130 S131	I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 WeakPolarHBondContact CG2-O 3.37Å; S128-I130 PolarHBondContact O-N 3.31Å; S128-I130 WeakPolarHBondContact OG-CG1 3.4Å; S128-S131 PolarHBondContact O-N 2.62Å; S128-S131 PolarHBondContact O-OG 3.24Å
129	P	73.8	Confident	80.7	Confident	112 Å²	112	88.2 Å²	88.2	73%	0.727	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-54.4	-28.1	174.8	-26.3	34.5	0	0	0	114.3	S131 L132	P129-S131 PolarHBondContact O-N 2.71Å; P129-L132 WeakPolarHBondContact O-CB 3.45Å; P129-L132 PolarHBondContact O-N 3.02Å
130	I	79.8	Confident	80.6	Confident	157 Å²	157	86.5 Å²	86.5	81%	0.805	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-72.4	-18.3	-178.7	-28.7	156	0	0	0	111.9	S128 L132	S128-I130 PolarHBondContact O-N 3.31Å; S128-I130 WeakPolarHBondContact OG-CG1 3.4Å; I130-L132 VanDerWaalsContact C-N 3.34Å
131	S	75.4	Confident	80.6	Confident	71 Å²	71	86.3 Å²	86.3	50%	0.497	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-87.1	-4.3	178.9	62.2	0	0	0	0	113.6	I126 S128 P129 P133	I126-S131 WeakPolarHBondContact CG2-OG 3.43Å; S128-S131 PolarHBondContact O-N 2.62Å; S128-S131 PolarHBondContact O-OG 3.24Å; P129-S131 PolarHBondContact O-N 2.71Å; S131-P133 WeakPolarHBondContact O-CD 3.25Å
132	L	76.8	Confident	80.8	Confident	51 Å²	51	89.4 Å²	89.4	27%	0.267	49%	0.487	S	S	.	.	S	Bend	trans	-77.6	126.2	172	-82.4	162	0	0	0	110.8	W118 I126 P129 I130 T136	W118-L132 HydrophobicContact CH2-CD2 4.26Å; W118-L132 HydrophobicContact CZ2-CD2 4.39Å; I126-L132 HydrophobicContact CD1-CD1 4.29Å; I126-L132 HydrophobicContact CD1-CD2 3.2Å; I126-L132 HydrophobicContact CD1-CG 3.66Å; I126-L132 HydrophobicContact CG1-CD2 4.36Å; I126-L132 HydrophobicContact CG2-CG 4.17Å; P129-L132 WeakPolarHBondContact O-CB 3.45Å; P129-L132 PolarHBondContact O-N 3.02Å; I130-L132 VanDerWaalsContact C-N 3.34Å; L132-T136 HydrophobicContact CB-CG2 4.24Å; L132-T136 HydrophobicContact CD2-CG2 3.52Å
133	P	73.1	Confident	81.1	Confident	63 Å²	63	87.2 Å²	87.2	41%	0.409	49%	0.487	S	S	.	.			trans	-57.8	148.5	168.5	-25.2	32.5	0	0	0	112.7	Y123 S131 K135 T136	Y123-P133 HydrophobicContact CE1-CG 4.03Å; S131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-K135 PolarHBondContact O-N 3.33Å; P133-T136 HydrophobicContact CB-CG2 3.96Å; P133-T136 VanDerWaalsContact CD-CG2 3.45Å; P133-T136 HydrophobicContact CG-CG2 4.08Å; P133-T136 WeakPolarHBondContact O-CB 3.41Å; P133-T136 WeakPolarHBondContact O-CG2 3.42Å; P133-T136 PolarHBondContact O-N 3.36Å; P133-T136 VanDerWaalsContact O-N 3.17Å; P133-T136 PolarHBondContact O-OG1 3.36Å
134	E	73.4	Confident	81.5	Confident	197 Å²	197	86.3 Å²	86.3	92%	0.921	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.2	-179.8	-68.9	-178.9	167.7	0	0	114.2
135	K	71.8	Confident	81.9	Confident	168 Å²	168	89 Å²	89	73%	0.73	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	30.9	-177.7	-66.6	-177.3	-179.8	175.7	0	113.5	P133	P133-K135 PolarHBondContact O-N 3.33Å
136	T	75.1	Confident	82.6	Confident	9 Å²	9	83.4 Å²	83.4	6%	0.055	47%	0.468	C	S	.	.	S	Bend	trans	-80.7	-20.4	177.6	44.2	0	0	0	0	113.7	V114 W118 Y123 L132 P133	V114-T136 WeakPolarHBondContact CG1-O 3.4Å; W118-T136 PolarHBondContact NE1-O 3.24Å; Y123-T136 HydrophobicContact CD1-CG2 3.89Å; Y123-T136 HydrophobicContact CD2-CG2 4.32Å; Y123-T136 HydrophobicContact CE1-CG2 3.47Å; Y123-T136 VanDerWaalsContact CE1-CG2 3.47Å; Y123-T136 HydrophobicContact CE2-CG2 3.92Å; Y123-T136 HydrophobicContact CG-CG2 4.3Å; Y123-T136 VanDerWaalsContact CZ-CG2 3.48Å; L132-T136 HydrophobicContact CB-CG2 4.24Å; L132-T136 HydrophobicContact CD2-CG2 3.52Å; P133-T136 HydrophobicContact CB-CG2 3.96Å; P133-T136 VanDerWaalsContact CD-CG2 3.45Å; P133-T136 HydrophobicContact CG-CG2 4.08Å; P133-T136 WeakPolarHBondContact O-CB 3.41Å; P133-T136 WeakPolarHBondContact O-CG2 3.42Å; P133-T136 PolarHBondContact O-N 3.36Å; P133-T136 VanDerWaalsContact O-N 3.17Å; P133-T136 PolarHBondContact O-OG1 3.36Å
137	M	80.3	Confident	83.2	Confident	110 Å²	110	84 Å²	84	54%	0.542	47%	0.469	S	S	.	.			trans	-115.2	145.5	-174.2	-65.2	-65.3	179.6	0	0	111.4	W118 W145	W118-M137 HydrophobicContact CH2-CE 4.44Å; W118-M137 HydrophobicContact CZ2-CE 3.82Å; W118-M137 HydrophobicContact CZ2-SD 4.39Å; M137-W145 HydrophobicContact CE-CH2 4.49Å; M137-W145 HydrophobicContact SD-CH2 3.36Å; M137-W145 WeakPolarHBondContact SD-CH2 3.41Å; M137-W145 HydrophobicContact SD-CZ2 3.75Å; M137-W145 HydrophobicContact SD-CZ3 4.24Å
138	Y	85.3	Confident	84.1	Confident	79 Å²	79	78.1 Å²	78.1	31%	0.31	43%	0.429	S	S	.	.			trans	-141.2	143.4	168.4	178.5	-99	0	0	0	107.4	Q110 K111 M140	Q110-Y138 HydrophobicContact CB-CD2 3.98Å; Q110-Y138 HydrophobicContact CB-CE2 3.7Å; Q110-Y138 HydrophobicContact CG-CD2 3.3Å; Q110-Y138 HydrophobicContact CG-CE2 3.51Å; Q110-Y138 HydrophobicContact CG-CG 4.1Å; K111-Y138 HydrophobicContact CB-CD1 3.91Å; K111-Y138 HydrophobicContact CB-CE1 3.69Å; K111-Y138 HydrophobicContact CG-CD1 4.14Å; K111-Y138 HydrophobicContact CG-CE1 4.16Å; Y138-M140 HydrophobicContact CD1-CE 4.11Å; Y138-M140 HydrophobicContact CD1-CG 3.87Å; Y138-M140 HydrophobicContact CG-CE 4.46Å; Y138-M140 WeakPolarHBondContact O-CG 3.37Å; Y138-M140 PolarHBondContact O-N 3.19Å
139	P	88.1	Confident	84.7	Confident	116 Å²	116	81.2 Å²	81.2	75%	0.753	44%	0.442	S	S	*	.			trans	-59.6	111.8	175.6	-23	34.1	0	0	0	110.4
140	M	89.3	Confident	85.6	Confident	25 Å²	25	81.9 Å²	81.9	12%	0.123	44%	0.435	C	S	.	.			trans	-129.1	155.8	175.9	-53.7	-172.2	-163	0	0	109.4	K111 V114 K115 Y138 T144 I148	K111-M140 HydrophobicContact CD-CG 4.39Å; K111-M140 HydrophobicContact CG-CE 3.94Å; K111-M140 HydrophobicContact CG-CG 3.95Å; K111-M140 HydrophobicContact CG-SD 3.77Å; K111-M140 WeakPolarHBondContact O-CE 3.44Å; V114-M140 HydrophobicContact CB-CE 3.58Å; V114-M140 HydrophobicContact CG1-CE 3.51Å; K115-M140 HydrophobicContact CB-CE 4.36Å; Y138-M140 HydrophobicContact CD1-CE 4.11Å; Y138-M140 HydrophobicContact CD1-CG 3.87Å; Y138-M140 HydrophobicContact CG-CE 4.46Å; Y138-M140 WeakPolarHBondContact O-CG 3.37Å; Y138-M140 PolarHBondContact O-N 3.19Å; M140-T144 HydrophobicContact CB-CG2 4.22Å; M140-T144 HydrophobicContact CG-CG2 4.4Å; M140-T144 HydrophobicContact SD-CG2 3.44Å; M140-T144 WeakPolarHBondContact SD-CG2 3.43Å; M140-I148 HydrophobicContact SD-CD1 4.43Å
141	D	91.6	Very high	86.2	Confident	56 Å²	56	76 Å²	76	30%	0.299	41%	0.41	S	S	.	.			trans	-70.4	164.5	174.2	58.8	90.1	0	0	0	112.1	R89 K111 D143 T144 W145	R89-D141 IonicContact CZ-OD1 3.59Å; R89-D141 VanDerWaalsContact NH2-CG 3.28Å; R89-D141 IonicContact NH2-OD1 3.86Å; R89-D141 PolarHBondContact NH2-OD1 2.75Å; R89-D141 IonicContact NH2-OD2 2.75Å; R89-D141 PolarHBondContact NH2-OD2 3.09Å; K111-D141 IonicContact NZ-OD2 2.81Å; K111-D141 PolarHBondContact NZ-OD2 2.92Å; D141-D143 VanDerWaalsContact C-N 3.25Å; D141-D143 PolarHBondContact O-N 3.48Å; D141-D143 WeakPolarHBondContact OD1-CB 3.46Å; D141-D143 PolarHBondContact OD1-N 2.87Å; D141-T144 PolarHBondContact O-N 3.22Å; D141-T144 PolarHBondContact OD1-N 2.99Å; D141-T144 PolarHBondContact OD1-OG1 3.2Å; D141-T144 PolarHBondContact OD2-OG1 3.27Å; D141-T144 VanDerWaalsContact OD2-OG1 3.07Å; D141-W145 PolarHBondContact O-N 2.99Å
142	A	93.3	Very high	86.9	Confident	82 Å²	82	75.5 Å²	75.5	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-59.9	-36.4	-176.9	0	0	0	0	0	112.2	W145 G146	A142-W145 PolarHBondContact O-N 2.79Å; A142-G146 PolarHBondContact O-N 2.98Å
143	D	93	Very high	87.5	Confident	110 Å²	110	79.5 Å²	79.5	59%	0.588	42%	0.421	S	S	*	.	H	α-helix	trans	-67	-44.6	-178.8	-55.3	-37.5	0	0	0	110.5	D141 W145 G146 E147	D141-D143 VanDerWaalsContact C-N 3.25Å; D141-D143 PolarHBondContact O-N 3.48Å; D141-D143 WeakPolarHBondContact OD1-CB 3.46Å; D141-D143 PolarHBondContact OD1-N 2.87Å; D143-W145 VanDerWaalsContact C-N 3.34Å; D143-W145 PolarHBondContact O-N 3.36Å; D143-G146 WeakPolarHBondContact O-CA 3.33Å; D143-G146 PolarHBondContact O-N 3.41Å; D143-G146 VanDerWaalsContact O-N 3.11Å; D143-E147 WeakPolarHBondContact O-CG 3.45Å; D143-E147 PolarHBondContact O-N 3.49Å
144	T	93.1	Very high	88.4	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-61.9	-40.7	176	-55	0	0	0	0	112.7	R89 E90 K111 K115 M140 D141 G146 E147 I148	R89-T144 PolarHBondContact NH2-OG1 3.47Å; E90-T144 PolarHBondContact OE1-OG1 3.38Å; K111-T144 VanDerWaalsContact CE-OG1 3.25Å; K111-T144 WeakPolarHBondContact CE-OG1 3.44Å; K111-T144 PolarHBondContact NZ-OG1 3.47Å; K115-T144 HydrophobicContact CD-CG2 3.84Å; M140-T144 HydrophobicContact CB-CG2 4.22Å; M140-T144 HydrophobicContact CG-CG2 4.4Å; M140-T144 HydrophobicContact SD-CG2 3.44Å; M140-T144 WeakPolarHBondContact SD-CG2 3.43Å; D141-T144 PolarHBondContact O-N 3.22Å; D141-T144 PolarHBondContact OD1-N 2.99Å; D141-T144 PolarHBondContact OD1-OG1 3.2Å; D141-T144 PolarHBondContact OD2-OG1 3.27Å; D141-T144 VanDerWaalsContact OD2-OG1 3.07Å; T144-G146 VanDerWaalsContact C-N 3.31Å; T144-E147 PolarHBondContact O-N 3.18Å; T144-I148 PolarHBondContact O-N 3.13Å
145	W	93.1	Very high	89	Confident	76 Å²	76	83.4 Å²	83.4	29%	0.288	43%	0.426	S	S	.	.	H	α-helix	trans	-67.2	-34.4	174.7	-78	118	0	0	0	112	W118 M137 D141 A142 D143 I148 L149	W118-W145 AromaticContact NE1-CH2 3.94Å; W118-W145 AromaticContact NE1-CZ3 3.91Å; M137-W145 HydrophobicContact CE-CH2 4.49Å; M137-W145 HydrophobicContact SD-CH2 3.36Å; M137-W145 WeakPolarHBondContact SD-CH2 3.41Å; M137-W145 HydrophobicContact SD-CZ2 3.75Å; M137-W145 HydrophobicContact SD-CZ3 4.24Å; D141-W145 PolarHBondContact O-N 2.99Å; A142-W145 PolarHBondContact O-N 2.79Å; D143-W145 VanDerWaalsContact C-N 3.34Å; D143-W145 PolarHBondContact O-N 3.36Å; W145-I148 HydrophobicContact CE3-CD1 3.77Å; W145-I148 HydrophobicContact CZ3-CD1 3.84Å; W145-I148 PolarHBondContact O-N 2.98Å; W145-L149 WeakPolarHBondContact O-CB 3.5Å; W145-L149 PolarHBondContact O-N 3.09Å
146	G	93.6	Very high	89.8	Confident	32 Å²	32	79.2 Å²	79.2	33%	0.33	41%	0.411	S	S	.	.	H	α-helix	trans	-59.1	-47.5	172.4	0	0	0	0	0	112.2	A142 D143 T144 I148 L149 E150	A142-G146 PolarHBondContact O-N 2.98Å; D143-G146 WeakPolarHBondContact O-CA 3.33Å; D143-G146 PolarHBondContact O-N 3.41Å; D143-G146 VanDerWaalsContact O-N 3.11Å; T144-G146 VanDerWaalsContact C-N 3.31Å; G146-I148 VanDerWaalsContact C-N 3.3Å; G146-I148 PolarHBondContact O-N 3.25Å; G146-L149 PolarHBondContact O-N 3.17Å; G146-L149 VanDerWaalsContact O-N 3.17Å; G146-E150 WeakPolarHBondContact O-CB 3.44Å; G146-E150 PolarHBondContact O-N 2.88Å
147	E	93.3	Very high	90.6	Very high	76 Å²	76	82.8 Å²	82.8	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-59	-39.6	176.1	-68.3	173.6	-147.2	0	0	112.5	K115 D143 T144 A151	K115-E147 WeakPolarHBondContact CE-OE2 3.22Å; K115-E147 IonicContact NZ-OE2 3.41Å; K115-E147 PolarHBondContact NZ-OE2 3.24Å; D143-E147 WeakPolarHBondContact O-CG 3.45Å; D143-E147 PolarHBondContact O-N 3.49Å; T144-E147 PolarHBondContact O-N 3.18Å; E147-A151 WeakPolarHBondContact O-CB 3.41Å; E147-A151 PolarHBondContact O-N 3.31Å; E147-A151 VanDerWaalsContact O-N 3.17Å
148	I	93.1	Very high	91.2	Very high	9 Å²	9	81.3 Å²	81.3	5%	0.046	42%	0.423	C	S	.	.	H	α-helix	trans	-67	-44.9	176.2	-68.6	167.7	0	0	0	110.8	K115 W118 M140 T144 W145 G146 A151 E152	K115-I148 HydrophobicContact CB-CD1 4.36Å; K115-I148 HydrophobicContact CG-CD1 4.04Å; K115-I148 HydrophobicContact CG-CG1 4.04Å; W118-I148 HydrophobicContact CB-CD1 4.27Å; W118-I148 HydrophobicContact CB-CG1 4.38Å; W118-I148 HydrophobicContact CB-CG2 3.65Å; W118-I148 HydrophobicContact CD2-CG2 4.24Å; W118-I148 HydrophobicContact CE3-CG2 4.29Å; W118-I148 HydrophobicContact CG-CD1 4.42Å; W118-I148 HydrophobicContact CG-CG2 3.99Å; M140-I148 HydrophobicContact SD-CD1 4.43Å; T144-I148 PolarHBondContact O-N 3.13Å; W145-I148 HydrophobicContact CE3-CD1 3.77Å; W145-I148 HydrophobicContact CZ3-CD1 3.84Å; W145-I148 PolarHBondContact O-N 2.98Å; G146-I148 VanDerWaalsContact C-N 3.3Å; G146-I148 PolarHBondContact O-N 3.25Å; I148-A151 PolarHBondContact O-N 3.2Å; I148-E152 PolarHBondContact O-N 2.94Å; I148-E152 VanDerWaalsContact O-N 3.09Å
149	L	91.8	Very high	91.5	Very high	107 Å²	107	81.5 Å²	81.5	56%	0.56	43%	0.43	S	S	*	.	H	α-helix	trans	-63.4	-43.8	-179.5	178.5	63.8	0	0	0	111.4	W145 G146 E152 L153	W145-L149 WeakPolarHBondContact O-CB 3.5Å; W145-L149 PolarHBondContact O-N 3.09Å; G146-L149 PolarHBondContact O-N 3.17Å; G146-L149 VanDerWaalsContact O-N 3.17Å; L149-E152 PolarHBondContact O-N 2.84Å; L149-L153 HydrophobicContact CG-CD1 4.24Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.46Å
150	E	93.8	Very high	91.7	Very high	125 Å²	125	79.3 Å²	79.3	58%	0.584	41%	0.409	S	S	*	.	H	α-helix	trans	-63	-44.7	178.4	-170.7	150.4	-140.7	0	0	111.3	G146 E152 L153 E154	G146-E150 WeakPolarHBondContact O-CB 3.44Å; G146-E150 PolarHBondContact O-N 2.88Å; E150-E152 PolarHBondContact O-N 2.95Å; E150-L153 PolarHBondContact O-N 2.82Å; E150-L153 VanDerWaalsContact O-N 3.13Å; E150-E154 WeakPolarHBondContact O-CG 3.46Å; E150-E154 PolarHBondContact O-N 2.7Å; E150-E154 VanDerWaalsContact O-N 3.08Å
151	A	92.3	Very high	91.9	Very high	33 Å²	33	82.9 Å²	82.9	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-28.8	174.8	0	0	0	0	0	113.8	L119 E147 I148	L119-A151 HydrophobicContact CD2-CB 3.45Å; L119-A151 VanDerWaalsContact CD2-CB 3.45Å; E147-A151 WeakPolarHBondContact O-CB 3.41Å; E147-A151 PolarHBondContact O-N 3.31Å; E147-A151 VanDerWaalsContact O-N 3.17Å; I148-A151 PolarHBondContact O-N 3.2Å
152	E	90.1	Very high	91.9	Very high	61 Å²	61	84.9 Å²	84.9	29%	0.285	44%	0.438	S	S	.	.	H	α-helix	trans	-79	-33.5	175.1	-171.4	65.5	-175.2	0	0	112.2	S124 I148 L149 E150 E154 R155	S124-E152 WeakPolarHBondContact CA-OE1 3.39Å; S124-E152 WeakPolarHBondContact CB-OE1 3.46Å; S124-E152 VanDerWaalsContact OG-CD 3.29Å; S124-E152 PolarHBondContact OG-OE1 3.22Å; S124-E152 PolarHBondContact OG-OE2 2.82Å; I148-E152 PolarHBondContact O-N 2.94Å; I148-E152 VanDerWaalsContact O-N 3.09Å; L149-E152 PolarHBondContact O-N 2.84Å; E150-E152 PolarHBondContact O-N 2.95Å; E152-E154 VanDerWaalsContact C-N 3.34Å; E152-R155 PolarHBondContact O-N 2.93Å; E152-R155 IonicContact OE2-NE 3Å
153	L	89.6	Confident	91.8	Very high	136 Å²	136	85.1 Å²	85.1	71%	0.712	42%	0.419	S	S	*	.	H	α-helix	trans	-70.2	-29.3	176	-71.6	172	0	0	0	112.9	L149 E150 R155	L149-L153 HydrophobicContact CG-CD1 4.24Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.46Å; E150-L153 PolarHBondContact O-N 2.82Å; E150-L153 VanDerWaalsContact O-N 3.13Å; L153-R155 VanDerWaalsContact C-N 3.32Å
154	E	91.1	Very high	91.7	Very high	159 Å²	159	83 Å²	83	74%	0.743	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.9	178.7	-70.5	-175.4	163.5	0	0	114.3	E150 E152	E150-E154 WeakPolarHBondContact O-CG 3.46Å; E150-E154 PolarHBondContact O-N 2.7Å; E150-E154 VanDerWaalsContact O-N 3.08Å; E152-E154 VanDerWaalsContact C-N 3.34Å
155	R	85.9	Confident	91.6	Very high	182 Å²	182	90.5 Å²	90.5	69%	0.687	44%	0.442	S	S	*	.			trans	-82	0	-174.4	-170.6	-174.5	-70	-95.5	-3.6	113	L119 E152 L153	L119-R155 PolarHBondContact O-NH2 3.08Å; E152-R155 PolarHBondContact O-N 2.93Å; E152-R155 IonicContact OE2-NE 3Å; L153-R155 VanDerWaalsContact C-N 3.32Å

Retrieved 155 of 155 residues in 150.3 ms (Link to these results)

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