A0A3P9PMC0_POERE Loading...

Ubiquitin-conjugating enzyme E2 C

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-11'- and 'Lys-48'-linked polyubiquitination. Acts as an essential factor of the anaphase promoting complex/cyclosome (APC/C), a cell cycle-regulated ubiquitin ligase that controls progression through mitosis. Acts by initiating 'Lys-11'-linked polyubiquitin chains on APC/C substrates, leading to the degradation of APC/C substrates by the proteasome and promoting mitotic exit.

AlphaFold DB , UniProt , Accession A0A3P9PMC0, Species POERE (Poecilia reticulata, Guppy), Gene UBE2C, Length 174 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	43.5	Very low	37.8	Very low	246 Å²	246	136.6 Å²	136.6	100%	1.212	84%	0.836	S	S	*	*				0	144	0	-77.5	-135.6	-117.1	0	0	108.4
2	A	38.4	Very low	37.5	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	84%	0.838	S	S	*	*			trans	75.4	104.2	-172.6	0	0	0	0	0	114.3
3	S	35.6	Very low	37.4	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	84%	0.836	S	S	*	*				64.3	137.3	72.8	-66.4	0	0	0	0	111.9
4	Q	44.1	Very low	37.2	Very low	167 Å²	167	129.5 Å²	129.5	78%	0.78	83%	0.83	S	S	*	*			cis	-169.9	151.6	3.4	-103.2	165.5	9.3	0	0	106.8
5	N	36.1	Very low	37.2	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	83%	0.83	S	S	*	*			trans	17.1	135.8	150	-60.8	-10.3	0	0	0	122.1
6	M	34.5	Very low	37.2	Very low	180 Å²	180	127.1 Å²	127.1	89%	0.887	83%	0.831	S	S	*	*				173	123	104.9	-89.3	-124	135.3	0	0	111.4
7	D	39.1	Very low	37.3	Very low	149 Å²	149	125.8 Å²	125.8	80%	0.797	83%	0.833	S	S	*	*			trans	-73	155.6	153.1	-69.3	-62	0	0	0	109.3
8	P	43.3	Very low	37.5	Very low	122 Å²	122	123.9 Å²	123.9	79%	0.792	83%	0.829	S	S	*	*				-146	144.1	89.2	31.7	-11.6	0	0	0	116.4
9	A	34.9	Very low	38.3	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	84%	0.835	S	S	*	*			trans	29.9	120	140.6	0	0	0	0	0	120.9
10	A	31.9	Very low	38.8	Very low	99 Å²	99	131 Å²	131	82%	0.818	84%	0.838	S	S	*	*				-175	124	119.7	0	0	0	0	0	112.6
11	A	34.1	Very low	39.1	Very low	101 Å²	101	128.5 Å²	128.5	84%	0.835	84%	0.837	S	S	*	*			trans	47.2	117.5	145.4	0	0	0	0	0	121.4
12	A	34.3	Very low	39.5	Very low	104 Å²	104	122.2 Å²	122.2	86%	0.86	82%	0.817	S	S	*	*				173.9	136.9	105.7	0	0	0	0	0	113
13	A	35.7	Very low	39.9	Very low	98 Å²	98	126.4 Å²	126.4	81%	0.81	82%	0.821	S	S	*	*			trans	-16.3	143.2	170.6	0	0	0	0	0	121.2
14	S	35.4	Very low	40.7	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	82%	0.823	S	S	*	*				-179.6	141.4	88.1	74	0	0	0	0	114.4
15	S	36.7	Very low	41.2	Very low	119 Å²	119	121 Å²	121	83%	0.832	81%	0.809	S	S	*	*			trans	64.7	84.6	141.2	-51.5	0	0	0	0	121.4
16	A	37.3	Very low	42.3	Very low	102 Å²	102	117.7 Å²	117.7	84%	0.843	80%	0.798	S	S	*	*			trans	-106.7	103.6	144	0	0	0	0	0	108.2	A18	A16-A18 PolarHBondContact O-N 2.95Å; A16-A18 VanDerWaalsContact O-N 3.1Å
17	A	39	Very low	43.6	Very low	105 Å²	105	113.5 Å²	113.5	87%	0.868	79%	0.786	S	S	*	*			trans	-69.4	103.9	175.9	0	0	0	0	0	109.5
18	A	41.8	Very low	45	Very low	91 Å²	91	109.7 Å²	109.7	75%	0.752	78%	0.775	S	S	*	*			trans	-72.8	125.5	166.9	0	0	0	0	0	109.7	A16 K20	A16-A18 PolarHBondContact O-N 2.95Å; A16-A18 VanDerWaalsContact O-N 3.1Å; A18-K20 PolarHBondContact O-N 3.19Å
19	L	51.2	Low	46.2	Very low	181 Å²	181	106.3 Å²	106.3	95%	0.948	76%	0.757	S	S	*	*			trans	-59.4	102.6	165.8	-71.2	156.4	0	0	0	109.3
20	K	49.3	Very low	48.1	Very low	209 Å²	209	108.8 Å²	108.8	91%	0.909	75%	0.746	S	S	*	*			trans	-145.3	113.2	164.5	-113.6	-176.8	-179.4	-177.1	0	109.6	A18	A18-K20 PolarHBondContact O-N 3.19Å
21	G	44.7	Very low	50.3	Low	79 Å²	79	106 Å²	106	81%	0.814	73%	0.728	S	S	*	*			trans	167	90	168.4	0	0	0	0	0	113.1
22	S	51.6	Low	53	Low	113 Å²	113	105.3 Å²	105.3	79%	0.79	72%	0.716	S	S	*	*			trans	165.1	81.4	130.1	-174.8	0	0	0	0	110.8
23	E	48	Very low	55.8	Low	181 Å²	181	100.7 Å²	100.7	85%	0.846	68%	0.677	S	S	*	*	S	Bend	trans	-124	-9.9	164.9	-68.7	-164.1	119.4	0	0	112.8	G25	E23-G25 PolarHBondContact O-N 3.46Å
24	S	52.6	Low	58.7	Low	109 Å²	109	98.1 Å²	98.1	76%	0.762	65%	0.652	S	S	*	*	H	α-helix	trans	-75.5	-24	-175.6	179	0	0	0	0	114.4
25	G	53.5	Low	61.6	Low	48 Å²	48	99.2 Å²	99.2	50%	0.495	64%	0.643	S	S	.	*	H	α-helix	trans	-82.7	-30.7	-175.9	0	0	0	0	0	114.1	E23 A29	E23-G25 PolarHBondContact O-N 3.46Å; G25-A29 WeakPolarHBondContact O-CB 3.46Å; G25-A29 PolarHBondContact O-N 3.43Å
26	S	58.5	Low	64.5	Low	77 Å²	77	96 Å²	96	54%	0.538	61%	0.612	S	S	.	*	H	α-helix	trans	-69.6	-40.1	-174.7	-173	0	0	0	0	112.4	R30	S26-R30 WeakPolarHBondContact O-CB 3.39Å; S26-R30 PolarHBondContact O-N 3.13Å
27	S	63.4	Low	67.4	Low	91 Å²	91	91.1 Å²	91.1	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-70.3	-39.5	-179.1	-171	0	0	0	0	112.8	G31	S27-G31 PolarHBondContact O-N 3.4Å
28	A	66.8	Low	70.1	Confident	69 Å²	69	90.9 Å²	90.9	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-72.3	-42.2	-179.7	0	0	0	0	0	111.9	G31 S32	A28-G31 PolarHBondContact O-N 3.31Å; A28-S32 PolarHBondContact O-N 3.27Å; A28-S32 VanDerWaalsContact O-N 3.09Å
29	A	69.4	Low	72.8	Confident	51 Å²	51	91.5 Å²	91.5	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-59.4	-47.4	173.4	0	0	0	0	0	110.8	G25 G31 S32 V33	G25-A29 WeakPolarHBondContact O-CB 3.46Å; G25-A29 PolarHBondContact O-N 3.43Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 2.75Å; A29-S32 PolarHBondContact O-N 3.06Å; A29-S32 VanDerWaalsContact O-N 3.1Å; A29-V33 WeakPolarHBondContact O-CG2 3.22Å; A29-V33 PolarHBondContact O-N 3.46Å
30	R	74.1	Confident	75.1	Confident	149 Å²	149	83.1 Å²	83.1	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-57.1	-40.6	174	-88.7	-169.4	161.9	157.1	-2.2	112.9	S26 S32 V33 T34 F62	S26-R30 WeakPolarHBondContact O-CB 3.39Å; S26-R30 PolarHBondContact O-N 3.13Å; R30-S32 VanDerWaalsContact C-N 3.34Å; R30-S32 PolarHBondContact O-N 3.43Å; R30-V33 PolarHBondContact O-N 2.86Å; R30-T34 WeakPolarHBondContact O-CB 3.38Å; R30-T34 PolarHBondContact O-N 3.38Å; R30-T34 PolarHBondContact O-OG1 2.92Å; R30-F62 HydrophobicContact CG-CZ 4.36Å
31	G	79.5	Confident	77.4	Confident	42 Å²	42	74.7 Å²	74.7	43%	0.433	46%	0.461	S	S	.	.	H	α-helix	trans	-59.8	-41.2	175.4	0	0	0	0	0	113.4	S27 A28 A29 K35	S27-G31 PolarHBondContact O-N 3.4Å; A28-G31 PolarHBondContact O-N 3.31Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 2.75Å; G31-K35 PolarHBondContact O-N 2.84Å; G31-K35 VanDerWaalsContact O-N 3.16Å
32	S	89.4	Confident	79.9	Confident	85 Å²	85	77 Å²	77	59%	0.594	45%	0.452	S	S	*	.	H	α-helix	trans	-67.3	-39.6	175.9	-169.3	0	0	0	0	112.4	A28 A29 R30 K35 R36	A28-S32 PolarHBondContact O-N 3.27Å; A28-S32 VanDerWaalsContact O-N 3.09Å; A29-S32 PolarHBondContact O-N 3.06Å; A29-S32 VanDerWaalsContact O-N 3.1Å; R30-S32 VanDerWaalsContact C-N 3.34Å; R30-S32 PolarHBondContact O-N 3.43Å; S32-K35 PolarHBondContact O-N 3.39Å; S32-R36 PolarHBondContact O-N 3.45Å; S32-R36 VanDerWaalsContact O-N 3.08Å
33	V	94.6	Very high	82.1	Confident	7 Å²	7	74.9 Å²	74.9	4%	0.042	44%	0.435	C	S	.	.	H	α-helix	trans	-66.2	-44.5	177.4	-178.1	0	0	0	0	111.1	A29 R30 K35 R36 L37 F62 Y91	A29-V33 WeakPolarHBondContact O-CG2 3.22Å; A29-V33 PolarHBondContact O-N 3.46Å; R30-V33 PolarHBondContact O-N 2.86Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.32Å; V33-R36 WeakPolarHBondContact O-CB 3.33Å; V33-R36 PolarHBondContact O-N 3.11Å; V33-R36 VanDerWaalsContact O-N 3.14Å; V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.2Å; V33-L37 WeakPolarHBondContact O-CG 3.29Å; V33-L37 PolarHBondContact O-N 3.49Å; V33-F62 HydrophobicContact CB-CE1 3.92Å; V33-F62 HydrophobicContact CB-CZ 4.25Å; V33-F62 HydrophobicContact CG1-CD1 4.16Å; V33-F62 HydrophobicContact CG1-CE1 3.41Å; V33-F62 VanDerWaalsContact CG1-CE1 3.41Å; V33-F62 HydrophobicContact CG1-CZ 4.1Å; V33-Y91 HydrophobicContact CG1-CD1 4.05Å; V33-Y91 WeakPolarHBondContact CG2-O 3.43Å
34	T	95.5	Very high	84.5	Confident	44 Å²	44	67 Å²	67	27%	0.27	40%	0.398	S	S	.	.	H	α-helix	trans	-55.5	-47.9	175.8	-64.7	0	0	0	0	111.4	R30 R36 L37 Q38 L61	R30-T34 WeakPolarHBondContact O-CB 3.38Å; R30-T34 PolarHBondContact O-N 3.38Å; R30-T34 PolarHBondContact O-OG1 2.92Å; T34-R36 VanDerWaalsContact C-N 3.32Å; T34-R36 PolarHBondContact O-N 2.94Å; T34-L37 PolarHBondContact O-N 3.08Å; T34-Q38 WeakPolarHBondContact O-CG 3.43Å; T34-Q38 PolarHBondContact O-N 2.8Å; T34-L61 HydrophobicContact CG2-CD2 3.61Å; T34-L61 WeakPolarHBondContact O-CD2 3.38Å
35	K	96.1	Very high	86.5	Confident	131 Å²	131	67.5 Å²	67.5	57%	0.57	39%	0.39	S	S	*	.	H	α-helix	trans	-60.7	-42.6	178	-174.9	178	180	-179	0	111.7	G31 S32 V33 Q38 Q39	G31-K35 PolarHBondContact O-N 2.84Å; G31-K35 VanDerWaalsContact O-N 3.16Å; S32-K35 PolarHBondContact O-N 3.39Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 3.32Å; K35-Q38 PolarHBondContact O-N 3.08Å; K35-Q39 WeakPolarHBondContact O-CG 3.33Å; K35-Q39 PolarHBondContact O-N 3.3Å; K35-Q39 VanDerWaalsContact O-N 3.12Å
36	R	97.7	Very high	88.5	Confident	52 Å²	52	73 Å²	73	20%	0.196	41%	0.405	C	S	.	.	H	α-helix	trans	-60	-49.4	176.8	172.9	64	-174.1	-94.3	-15.9	111.4	S32 V33 T34 Q38 Q39 E40 Y91 A126 Y128	S32-R36 PolarHBondContact O-N 3.45Å; S32-R36 VanDerWaalsContact O-N 3.08Å; V33-R36 WeakPolarHBondContact O-CB 3.33Å; V33-R36 PolarHBondContact O-N 3.11Å; V33-R36 VanDerWaalsContact O-N 3.14Å; T34-R36 VanDerWaalsContact C-N 3.32Å; T34-R36 PolarHBondContact O-N 2.94Å; R36-Q38 PolarHBondContact O-N 3.16Å; R36-Q39 WeakPolarHBondContact O-CB 3.45Å; R36-Q39 PolarHBondContact O-N 3.21Å; R36-E40 IonicContact CZ-OE1 2.68Å; R36-E40 IonicContact NE-OE1 2.72Å; R36-E40 PolarHBondContact NE-OE1 2.92Å; R36-E40 IonicContact NH2-OE1 3.52Å; R36-E40 PolarHBondContact NH2-OE1 2.84Å; R36-E40 PolarHBondContact O-N 3.01Å; R36-Y91 HydrophobicContact CG-CD1 4.25Å; R36-Y91 HydrophobicContact CG-CE1 3.73Å; R36-Y91 PolarHBondContact NH2-OH 3.38Å; R36-A126 PolarHBondContact NH1-O 2.77Å; R36-A126 PolarHBondContact NH2-O 3.48Å; R36-A126 VanDerWaalsContact NH2-O 3.16Å; R36-Y128 PolarHBondContact NH2-O 2.88Å
37	L	98.2	Very high	90.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-65.8	-36.1	-178.7	-66.7	173.2	0	0	0	112.7	V33 T34 Q39 E40 L41 L61 F62 W64 F87 Y91	V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.2Å; V33-L37 WeakPolarHBondContact O-CG 3.29Å; V33-L37 PolarHBondContact O-N 3.49Å; T34-L37 PolarHBondContact O-N 3.08Å; L37-Q39 VanDerWaalsContact C-N 3.34Å; L37-E40 PolarHBondContact O-N 3.4Å; L37-L41 PolarHBondContact O-N 3.1Å; L37-L61 HydrophobicContact CB-CD1 4.44Å; L37-L61 HydrophobicContact CB-CD2 3.95Å; L37-L61 HydrophobicContact CB-CG 3.94Å; L37-L61 HydrophobicContact CD1-CG 4.23Å; L37-L61 WeakPolarHBondContact CD1-O 3.35Å; L37-F62 HydrophobicContact CD1-CD1 4.21Å; L37-F62 HydrophobicContact CD1-CE1 4.43Å; L37-W64 HydrophobicContact CB-CZ2 4.28Å; L37-F87 HydrophobicContact CD1-CB 4.23Å; L37-F87 HydrophobicContact CD1-CD2 4.37Å; L37-F87 HydrophobicContact CD1-CG 4.15Å; L37-F87 HydrophobicContact CD2-CD1 3.41Å; L37-F87 VanDerWaalsContact CD2-CD1 3.41Å; L37-F87 HydrophobicContact CD2-CD2 4.13Å; L37-F87 HydrophobicContact CD2-CE1 3.49Å; L37-F87 VanDerWaalsContact CD2-CE1 3.49Å; L37-F87 HydrophobicContact CD2-CE2 4.22Å; L37-F87 HydrophobicContact CD2-CG 3.75Å; L37-F87 HydrophobicContact CD2-CZ 3.91Å; L37-Y91 HydrophobicContact CD2-CD1 3.93Å; L37-Y91 HydrophobicContact CD2-CE1 3.6Å; L37-Y91 HydrophobicContact CG-CD1 4.36Å; L37-Y91 HydrophobicContact CG-CE1 4.35Å
38	Q	97.2	Very high	91.5	Very high	100 Å²	100	70.2 Å²	70.2	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-40.9	172.8	-74.3	174.4	-25	0	0	112.2	T34 K35 R36 L41 M42 L61	T34-Q38 WeakPolarHBondContact O-CG 3.43Å; T34-Q38 PolarHBondContact O-N 2.8Å; K35-Q38 PolarHBondContact O-N 3.08Å; R36-Q38 PolarHBondContact O-N 3.16Å; Q38-L41 PolarHBondContact O-N 2.97Å; Q38-M42 WeakPolarHBondContact O-CG 3.47Å; Q38-M42 PolarHBondContact O-N 3.11Å; Q38-M42 VanDerWaalsContact O-N 3.13Å; Q38-L61 HydrophobicContact CG-CD2 3.93Å
39	Q	97.9	Very high	92.9	Very high	103 Å²	103	68.9 Å²	68.9	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-42.9	175.9	-72.5	175	-27.5	0	0	111.4	K35 R36 L37 L41 M42 T43	K35-Q39 WeakPolarHBondContact O-CG 3.33Å; K35-Q39 PolarHBondContact O-N 3.3Å; K35-Q39 VanDerWaalsContact O-N 3.12Å; R36-Q39 WeakPolarHBondContact O-CB 3.45Å; R36-Q39 PolarHBondContact O-N 3.21Å; L37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-L41 VanDerWaalsContact C-N 3.33Å; Q39-L41 PolarHBondContact O-N 2.77Å; Q39-M42 PolarHBondContact O-N 3.15Å; Q39-T43 PolarHBondContact O-N 3.44Å; Q39-T43 PolarHBondContact O-OG1 2.93Å; Q39-T43 VanDerWaalsContact O-OG1 3.09Å
40	E	98.5	Very high	94.1	Very high	5 Å²	5	75.4 Å²	75.4	2%	0.023	40%	0.398	C	S	.	.	H	α-helix	trans	-65	-36.9	177	-68.4	-168.9	-163.9	0	0	113.3	R36 L37 M42 T43 L44 Y91 D129 V130	R36-E40 IonicContact CZ-OE1 2.68Å; R36-E40 IonicContact NE-OE1 2.72Å; R36-E40 PolarHBondContact NE-OE1 2.92Å; R36-E40 IonicContact NH2-OE1 3.52Å; R36-E40 PolarHBondContact NH2-OE1 2.84Å; R36-E40 PolarHBondContact O-N 3.01Å; L37-E40 PolarHBondContact O-N 3.4Å; E40-M42 VanDerWaalsContact C-N 3.32Å; E40-M42 PolarHBondContact O-N 2.95Å; E40-T43 PolarHBondContact O-N 3.46Å; E40-L44 WeakPolarHBondContact O-CB 3.44Å; E40-L44 PolarHBondContact O-N 2.89Å; E40-Y91 VanDerWaalsContact CD-OH 3.23Å; E40-Y91 PolarHBondContact OE1-OH 3.04Å; E40-Y91 PolarHBondContact OE2-OH 3.21Å; E40-Y91 VanDerWaalsContact OE2-OH 3.13Å; E40-D129 HydrophobicContact CB-CB 4.49Å; E40-D129 HydrophobicContact CG-CB 3.73Å; E40-D129 VanDerWaalsContact OE2-CA 3.25Å; E40-D129 WeakPolarHBondContact OE2-CA 3.4Å; E40-D129 WeakPolarHBondContact OE2-CB 3.41Å; E40-V130 WeakPolarHBondContact OE2-CG2 3.11Å; E40-V130 PolarHBondContact OE2-N 3.07Å
41	L	98	Very high	95.2	Very high	32 Å²	32	69.4 Å²	69.4	17%	0.168	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-46.6	174.5	-176.8	58.4	0	0	0	110.3	L37 Q38 Q39 L44 M45 F55 P56 W64	L37-L41 PolarHBondContact O-N 3.1Å; Q38-L41 PolarHBondContact O-N 2.97Å; Q39-L41 VanDerWaalsContact C-N 3.33Å; Q39-L41 PolarHBondContact O-N 2.77Å; L41-L44 PolarHBondContact O-N 3.27Å; L41-M45 HydrophobicContact CD1-CG 4.37Å; L41-M45 HydrophobicContact CD1-SD 4.26Å; L41-M45 HydrophobicContact CG-SD 4.07Å; L41-M45 WeakPolarHBondContact O-CB 3.29Å; L41-M45 VanDerWaalsContact O-CG 3.23Å; L41-M45 WeakPolarHBondContact O-CG 3.42Å; L41-M45 PolarHBondContact O-N 3.48Å; L41-F55 HydrophobicContact CD1-CD1 4.16Å; L41-P56 HydrophobicContact CD2-CG 4.12Å; L41-W64 HydrophobicContact CB-CH2 3.54Å; L41-W64 HydrophobicContact CB-CZ2 4.08Å; L41-W64 HydrophobicContact CB-CZ3 4.36Å; L41-W64 HydrophobicContact CD1-CH2 3.9Å; L41-W64 HydrophobicContact CD1-CZ3 3.92Å; L41-W64 HydrophobicContact CG-CH2 4.26Å
42	M	97.2	Very high	96.1	Very high	129 Å²	129	68.1 Å²	68.1	64%	0.635	37%	0.365	S	S	*	.	H	α-helix	trans	-62.3	-44.9	176.2	-68.6	-177.1	-174.3	0	0	111.8	Q38 Q39 E40 L44 M45 M46	Q38-M42 WeakPolarHBondContact O-CG 3.47Å; Q38-M42 PolarHBondContact O-N 3.11Å; Q38-M42 VanDerWaalsContact O-N 3.13Å; Q39-M42 PolarHBondContact O-N 3.15Å; E40-M42 VanDerWaalsContact C-N 3.32Å; E40-M42 PolarHBondContact O-N 2.95Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-L44 PolarHBondContact O-N 3.06Å; M42-M45 PolarHBondContact O-N 3.22Å; M42-M46 WeakPolarHBondContact O-CB 3.21Å; M42-M46 VanDerWaalsContact O-CG 3.22Å; M42-M46 WeakPolarHBondContact O-CG 3.38Å; M42-M46 PolarHBondContact O-N 3.21Å
43	T	97.7	Very high	96.5	Very high	68 Å²	68	66.2 Å²	66.2	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-46.3	177.2	-62.6	0	0	0	0	111.4	Q39 E40 M46 S47	Q39-T43 PolarHBondContact O-N 3.44Å; Q39-T43 PolarHBondContact O-OG1 2.93Å; Q39-T43 VanDerWaalsContact O-OG1 3.09Å; E40-T43 PolarHBondContact O-N 3.46Å; T43-M46 PolarHBondContact O-N 3.08Å; T43-S47 WeakPolarHBondContact O-CB 3.32Å; T43-S47 PolarHBondContact O-N 3.24Å
44	L	97.9	Very high	96.7	Very high	14 Å²	14	66 Å²	66	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-42.4	178.4	-178.6	64	0	0	0	112.1	E40 L41 M42 M46 S47 I52 A54 V130 R131 L134	E40-L44 WeakPolarHBondContact O-CB 3.44Å; E40-L44 PolarHBondContact O-N 2.89Å; L41-L44 PolarHBondContact O-N 3.27Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-L44 PolarHBondContact O-N 3.06Å; L44-M46 VanDerWaalsContact C-N 3.25Å; L44-M46 PolarHBondContact O-N 3.06Å; L44-S47 PolarHBondContact O-N 3.16Å; L44-S47 PolarHBondContact O-OG 3.17Å; L44-I52 HydrophobicContact CD1-CD1 4.2Å; L44-A54 HydrophobicContact CD2-CB 3.85Å; L44-V130 HydrophobicContact CD2-CG1 3.92Å; L44-R131 HydrophobicContact CD1-CB 4.06Å; L44-R131 HydrophobicContact CD1-CG 4.34Å; L44-L134 HydrophobicContact CD1-CD1 4.28Å; L44-L134 HydrophobicContact CD2-CD1 4.11Å
45	M	95.4	Very high	96.8	Very high	120 Å²	120	69.2 Å²	69.2	59%	0.591	36%	0.362	S	S	*	.	H	α-helix	trans	-65.4	-30.6	178.6	-71.6	178.1	71.5	0	0	112.7	L41 M42 F55	L41-M45 HydrophobicContact CD1-CG 4.37Å; L41-M45 HydrophobicContact CD1-SD 4.26Å; L41-M45 HydrophobicContact CG-SD 4.07Å; L41-M45 WeakPolarHBondContact O-CB 3.29Å; L41-M45 VanDerWaalsContact O-CG 3.23Å; L41-M45 WeakPolarHBondContact O-CG 3.42Å; L41-M45 PolarHBondContact O-N 3.48Å; M42-M45 PolarHBondContact O-N 3.22Å; M45-F55 HydrophobicContact CG-CE1 4.44Å; M45-F55 HydrophobicContact SD-CE1 4.38Å
46	M	95.4	Very high	96.9	Very high	165 Å²	165	64.7 Å²	64.7	81%	0.813	35%	0.346	S	S	*	.	H	α-helix	trans	-92.9	-10.1	-177.4	-64.5	-60.5	-63	0	0	113.8	M42 T43 L44	M42-M46 WeakPolarHBondContact O-CB 3.21Å; M42-M46 VanDerWaalsContact O-CG 3.22Å; M42-M46 WeakPolarHBondContact O-CG 3.38Å; M42-M46 PolarHBondContact O-N 3.21Å; T43-M46 PolarHBondContact O-N 3.08Å; L44-M46 VanDerWaalsContact C-N 3.25Å; L44-M46 PolarHBondContact O-N 3.06Å
47	S	93.6	Very high	96.7	Very high	42 Å²	42	66.4 Å²	66.4	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-73.4	-29.8	-174.9	68.4	0	0	0	0	113.4	T43 L44 D49	T43-S47 WeakPolarHBondContact O-CB 3.32Å; T43-S47 PolarHBondContact O-N 3.24Å; L44-S47 PolarHBondContact O-N 3.16Å; L44-S47 PolarHBondContact O-OG 3.17Å; S47-D49 WeakPolarHBondContact CB-OD2 3.41Å; S47-D49 PolarHBondContact O-N 3.03Å; S47-D49 PolarHBondContact OG-N 3.46Å; S47-D49 PolarHBondContact OG-OD2 3.25Å
48	G	91.3	Very high	96.3	Very high	67 Å²	67	71.9 Å²	71.9	69%	0.691	39%	0.394	S	S	*	.			trans	67	20.2	-177.7	0	0	0	0	0	114	K50	G48-K50 PolarHBondContact O-N 3.45Å
49	D	96.2	Very high	95.8	Very high	40 Å²	40	74.8 Å²	74.8	21%	0.214	41%	0.413	C	S	.	.			trans	-64.5	134.7	178.1	-58.1	-63	0	0	0	110.6	S47 I52 R131 L135	S47-D49 WeakPolarHBondContact CB-OD2 3.41Å; S47-D49 PolarHBondContact O-N 3.03Å; S47-D49 PolarHBondContact OG-N 3.46Å; S47-D49 PolarHBondContact OG-OD2 3.25Å; D49-I52 HydrophobicContact CB-CD1 3.76Å; D49-I52 HydrophobicContact CB-CG1 3.62Å; D49-R131 IonicContact OD1-CZ 3.07Å; D49-R131 IonicContact OD1-NE 3.52Å; D49-R131 IonicContact OD1-NH2 3.52Å; D49-R131 PolarHBondContact OD1-NH2 2.96Å; D49-R131 WeakPolarHBondContact OD2-CD 3.43Å; D49-R131 WeakPolarHBondContact OD2-CG 3.44Å; D49-R131 IonicContact OD2-CZ 2.62Å; D49-R131 IonicContact OD2-NE 3.59Å; D49-R131 PolarHBondContact OD2-NE 3.26Å; D49-R131 IonicContact OD2-NH2 2.69Å; D49-L135 HydrophobicContact CB-CD2 4.47Å
50	K	94.9	Very high	95.6	Very high	188 Å²	188	72.7 Å²	72.7	82%	0.817	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	136.5	-177.7	-66.9	-175.5	-179.8	-179.8	0	110.9	G48 I52	G48-K50 PolarHBondContact O-N 3.45Å; K50-I52 PolarHBondContact O-N 2.8Å
51	G	96.9	Very high	95.4	Very high	23 Å²	23	73.9 Å²	73.9	24%	0.237	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	9.5	171.8	0	0	0	0	0	114.7	I68 D69	G51-I68 CarbonylContact O-C 3.49Å; G51-I68 VanDerWaalsContact O-CA 3.32Å; G51-I68 WeakPolarHBondContact O-CA 2.91Å; G51-D69 WeakPolarHBondContact CA-OD2 3.29Å; G51-D69 PolarHBondContact O-N 3.06Å
52	I	98.5	Very high	95.4	Very high	15 Å²	15	74.3 Å²	74.3	8%	0.077	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143	169.7	64.2	163.7	0	0	0	110.6	L44 D49 K50 T67 I68 L134 L135 Q138	L44-I52 HydrophobicContact CD1-CD1 4.2Å; D49-I52 HydrophobicContact CB-CD1 3.76Å; D49-I52 HydrophobicContact CB-CG1 3.62Å; K50-I52 PolarHBondContact O-N 2.8Å; I52-T67 WeakPolarHBondContact CA-O 3.45Å; I52-I68 HydrophobicContact CG2-CG1 4.17Å; I52-L134 HydrophobicContact CB-CB 4.06Å; I52-L134 HydrophobicContact CB-CD1 4.31Å; I52-L134 HydrophobicContact CD1-CB 3.89Å; I52-L134 HydrophobicContact CG2-CB 4.14Å; I52-L135 HydrophobicContact CD1-CD2 3.67Å; I52-L135 HydrophobicContact CD1-CG 3.71Å; I52-L135 HydrophobicContact CG1-CD2 4.48Å; I52-Q138 HydrophobicContact CG2-CB 4.32Å
53	S	98.3	Very high	95.4	Very high	46 Å²	46	72.3 Å²	72.3	32%	0.322	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.6	171.3	58.9	0	0	0	0	110	G66 T67	S53-G66 CarbonylContact O-C 3.45Å; S53-G66 VanDerWaalsContact O-CA 3.23Å; S53-G66 WeakPolarHBondContact O-CA 3.22Å; S53-T67 PolarHBondContact N-O 2.71Å; S53-T67 PolarHBondContact O-N 2.96Å
54	A	98.4	Very high	95.5	Very high	2 Å²	2	69.1 Å²	69.1	2%	0.017	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	148.5	169.2	0	0	0	0	0	111.1	L44 W64 I65 V130 L134	L44-A54 HydrophobicContact CD2-CB 3.85Å; A54-W64 HydrophobicContact CB-CE3 3.82Å; A54-W64 HydrophobicContact CB-CZ3 4.41Å; A54-I65 VanDerWaalsContact CA-O 3.25Å; A54-I65 WeakPolarHBondContact CA-O 3.32Å; A54-V130 HydrophobicContact CB-CG1 4.01Å; A54-L134 HydrophobicContact CB-CD1 3.92Å
55	F	97.8	Very high	95.5	Very high	112 Å²	112	71.2 Å²	71.2	49%	0.491	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150	177.8	-65.7	-83.4	0	0	0	111	L41 M45 W64 I65	L41-F55 HydrophobicContact CD1-CD1 4.16Å; M45-F55 HydrophobicContact CG-CE1 4.44Å; M45-F55 HydrophobicContact SD-CE1 4.38Å; F55-W64 CarbonylContact O-C 3.55Å; F55-W64 WeakPolarHBondContact O-CA 3.5Å; F55-W64 WeakPolarHBondContact O-CB 3.4Å; F55-I65 PolarHBondContact N-O 2.74Å; F55-I65 PolarHBondContact O-N 2.97Å
56	P	97.6	Very high	95.6	Very high	36 Å²	36	65.5 Å²	65.5	23%	0.234	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	141.4	169.8	-22.9	33.2	0	0	0	112.2	L41 S58 L61 K63 W64	L41-P56 HydrophobicContact CD2-CG 4.12Å; P56-S58 PolarHBondContact O-N 3.03Å; P56-L61 HydrophobicContact CB-CD1 4.27Å; P56-L61 HydrophobicContact CG-CD1 3.67Å; P56-K63 CarbonylContact C-O 3.31Å; P56-K63 WeakPolarHBondContact CA-O 3.44Å; P56-W64 HydrophobicContact CG-CD2 4.28Å; P56-W64 HydrophobicContact CG-CG 4.48Å; P56-W64 HydrophobicContact CG-CZ2 4.25Å
57	E	93.9	Very high	95.8	Very high	88 Å²	88	59 Å²	59	41%	0.411	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.2	173.9	-173.4	176.2	-105.5	0	0	109	D59 N60 K63	E57-D59 PolarHBondContact O-N 2.85Å; E57-N60 PolarHBondContact O-N 3.3Å; E57-K63 HydrophobicContact CB-CB 4.23Å; E57-K63 PolarHBondContact N-O 3.33Å
58	S	89.8	Confident	96	Very high	115 Å²	115	57 Å²	57	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-118.9	178.8	-57.9	0	0	0	0	112.5	P56	P56-S58 PolarHBondContact O-N 3.03Å
59	D	87.3	Confident	96.4	Very high	161 Å²	161	55.9 Å²	55.9	86%	0.861	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	1.5	-178.8	62.2	-18.2	0	0	0	113.2	E57	E57-D59 PolarHBondContact O-N 2.85Å
60	N	92.4	Very high	96.4	Very high	59 Å²	59	54.4 Å²	54.4	32%	0.316	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	97	-177.4	-172.9	-2.8	0	0	0	112.1	E57 F62 K63	E57-N60 PolarHBondContact O-N 3.3Å; N60-F62 PolarHBondContact O-N 3.14Å; N60-F62 WeakPolarHBondContact OD1-CB 3.44Å; N60-F62 PolarHBondContact OD1-N 3.45Å; N60-K63 PolarHBondContact O-N 2.86Å; N60-K63 VanDerWaalsContact O-N 3.1Å
61	L	95.1	Very high	96.6	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.157	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	-16.2	177.6	-165.5	66.5	0	0	0	114.1	T34 L37 Q38 P56 W64	T34-L61 HydrophobicContact CG2-CD2 3.61Å; T34-L61 WeakPolarHBondContact O-CD2 3.38Å; L37-L61 HydrophobicContact CB-CD1 4.44Å; L37-L61 HydrophobicContact CB-CD2 3.95Å; L37-L61 HydrophobicContact CB-CG 3.94Å; L37-L61 HydrophobicContact CD1-CG 4.23Å; L37-L61 WeakPolarHBondContact CD1-O 3.35Å; Q38-L61 HydrophobicContact CG-CD2 3.93Å; P56-L61 HydrophobicContact CB-CD1 4.27Å; P56-L61 HydrophobicContact CG-CD1 3.67Å; L61-W64 HydrophobicContact CD1-CZ2 4.45Å; L61-W64 VanDerWaalsContact O-CD1 3.28Å; L61-W64 PolarHBondContact O-NE1 2.97Å
62	F	97.2	Very high	96.6	Very high	40 Å²	40	54.5 Å²	54.5	18%	0.175	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	3.9	-179.6	-62.6	-100.5	0	0	0	113.4	R30 V33 L37 N60 F87	R30-F62 HydrophobicContact CG-CZ 4.36Å; V33-F62 HydrophobicContact CB-CE1 3.92Å; V33-F62 HydrophobicContact CB-CZ 4.25Å; V33-F62 HydrophobicContact CG1-CD1 4.16Å; V33-F62 HydrophobicContact CG1-CE1 3.41Å; V33-F62 VanDerWaalsContact CG1-CE1 3.41Å; V33-F62 HydrophobicContact CG1-CZ 4.1Å; L37-F62 HydrophobicContact CD1-CD1 4.21Å; L37-F62 HydrophobicContact CD1-CE1 4.43Å; N60-F62 PolarHBondContact O-N 3.14Å; N60-F62 WeakPolarHBondContact OD1-CB 3.44Å; N60-F62 PolarHBondContact OD1-N 3.45Å; F62-F87 HydrophobicContact CB-CB 4.45Å; F62-F87 HydrophobicContact CD1-CB 4.3Å; F62-F87 WeakPolarHBondContact O-CD2 3.42Å; F62-F87 PolarHBondContact O-N 3.37Å
63	K	98.2	Very high	96.5	Very high	87 Å²	87	56.8 Å²	56.8	38%	0.378	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.9	174.1	-70.6	-169.9	172.8	-172.6	0	109.6	P56 E57 N60 L85	P56-K63 CarbonylContact C-O 3.31Å; P56-K63 WeakPolarHBondContact CA-O 3.44Å; E57-K63 HydrophobicContact CB-CB 4.23Å; E57-K63 PolarHBondContact N-O 3.33Å; N60-K63 PolarHBondContact O-N 2.86Å; N60-K63 VanDerWaalsContact O-N 3.1Å; K63-L85 CarbonylContact C-O 3.54Å; K63-L85 WeakPolarHBondContact CA-O 3.28Å
64	W	98.6	Very high	96.5	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.1	-179.5	-66.9	30.8	0	0	0	110.4	L37 L41 A54 F55 P56 L61 L85 F87 V130	L37-W64 HydrophobicContact CB-CZ2 4.28Å; L41-W64 HydrophobicContact CB-CH2 3.54Å; L41-W64 HydrophobicContact CB-CZ2 4.08Å; L41-W64 HydrophobicContact CB-CZ3 4.36Å; L41-W64 HydrophobicContact CD1-CH2 3.9Å; L41-W64 HydrophobicContact CD1-CZ3 3.92Å; L41-W64 HydrophobicContact CG-CH2 4.26Å; A54-W64 HydrophobicContact CB-CE3 3.82Å; A54-W64 HydrophobicContact CB-CZ3 4.41Å; F55-W64 CarbonylContact O-C 3.55Å; F55-W64 WeakPolarHBondContact O-CA 3.5Å; F55-W64 WeakPolarHBondContact O-CB 3.4Å; P56-W64 HydrophobicContact CG-CD2 4.28Å; P56-W64 HydrophobicContact CG-CG 4.48Å; P56-W64 HydrophobicContact CG-CZ2 4.25Å; L61-W64 HydrophobicContact CD1-CZ2 4.45Å; L61-W64 VanDerWaalsContact O-CD1 3.28Å; L61-W64 PolarHBondContact O-NE1 2.97Å; W64-L85 HydrophobicContact CB-CB 4.24Å; W64-L85 PolarHBondContact N-O 2.94Å; W64-L85 PolarHBondContact O-N 3.4Å; W64-F87 HydrophobicContact CB-CE2 4.13Å; W64-F87 AromaticContact CD1-CE2 3.43Å; W64-F87 VanDerWaalsContact CD1-CE2 3.43Å; W64-F87 HydrophobicContact CD2-CE2 4.01Å; W64-F87 HydrophobicContact CD2-CZ 4.26Å; W64-F87 AromaticContact CG-CE2 3.63Å; W64-F87 HydrophobicContact CG-CE2 3.63Å; W64-F87 HydrophobicContact CG-CZ 4.3Å; W64-F87 AromaticContact NE1-CE2 3.71Å; W64-V130 HydrophobicContact CE3-CG1 4.12Å; W64-V130 HydrophobicContact CE3-CG2 4.11Å; W64-V130 HydrophobicContact CH2-CG2 4.18Å; W64-V130 HydrophobicContact CZ3-CB 4.15Å; W64-V130 HydrophobicContact CZ3-CG1 3.94Å; W64-V130 HydrophobicContact CZ3-CG2 3.82Å
65	I	98.5	Very high	96.5	Very high	58 Å²	58	55.8 Å²	55.8	30%	0.297	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119	166	-60.9	-59.5	0	0	0	108.1	A54 F55 L83	A54-I65 VanDerWaalsContact CA-O 3.25Å; A54-I65 WeakPolarHBondContact CA-O 3.32Å; F55-I65 PolarHBondContact N-O 2.74Å; F55-I65 PolarHBondContact O-N 2.97Å; I65-L83 CarbonylContact C-O 3.57Å; I65-L83 WeakPolarHBondContact CA-O 3.49Å
66	G	98.4	Very high	96.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	155.6	172.2	0	0	0	0	0	111.8	S53 R82 L83	S53-G66 CarbonylContact O-C 3.45Å; S53-G66 VanDerWaalsContact O-CA 3.23Å; S53-G66 WeakPolarHBondContact O-CA 3.22Å; G66-R82 CarbonylContact O-C 3.44Å; G66-R82 WeakPolarHBondContact O-CA 3.29Å; G66-L83 PolarHBondContact N-O 2.76Å; G66-L83 PolarHBondContact O-N 2.85Å
67	T	98.4	Very high	96.5	Very high	29 Å²	29	52.7 Å²	52.7	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.2	169.9	-55.7	0	0	0	0	109.2	I52 S53 R80 Y81	I52-T67 WeakPolarHBondContact CA-O 3.45Å; S53-T67 PolarHBondContact N-O 2.71Å; S53-T67 PolarHBondContact O-N 2.96Å; T67-R80 VanDerWaalsContact CG2-CD 3.45Å; T67-R80 HydrophobicContact CG2-CG 3.36Å; T67-Y81 CarbonylContact C-O 3.51Å; T67-Y81 VanDerWaalsContact CA-O 3.25Å; T67-Y81 WeakPolarHBondContact CA-O 3.34Å
68	I	98.6	Very high	96.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.9	173.9	-65	175.2	0	0	0	109	G51 I52 R80 Y81 L83 L134 V137 Q138 L141	G51-I68 CarbonylContact O-C 3.49Å; G51-I68 VanDerWaalsContact O-CA 3.32Å; G51-I68 WeakPolarHBondContact O-CA 2.91Å; I52-I68 HydrophobicContact CG2-CG1 4.17Å; I68-R80 WeakPolarHBondContact O-CA 3.14Å; I68-Y81 PolarHBondContact N-O 2.97Å; I68-Y81 PolarHBondContact O-N 3.23Å; I68-L83 HydrophobicContact CB-CD1 4.06Å; I68-L83 HydrophobicContact CD1-CD1 3.66Å; I68-L83 HydrophobicContact CD1-CD2 4.14Å; I68-L83 HydrophobicContact CG1-CD1 3.67Å; I68-L134 HydrophobicContact CD1-CB 4.49Å; I68-L134 HydrophobicContact CD1-CD2 4.03Å; I68-L134 WeakPolarHBondContact CD1-O 3.4Å; I68-L134 HydrophobicContact CG1-CD2 4.12Å; I68-V137 HydrophobicContact CD1-CB 3.67Å; I68-V137 HydrophobicContact CD1-CG1 3.56Å; I68-Q138 HydrophobicContact CG2-CB 3.72Å; I68-Q138 HydrophobicContact CG2-CG 3.83Å; I68-L141 HydrophobicContact CG2-CD1 3.99Å
69	D	98.5	Very high	97.1	Very high	43 Å²	43	47.3 Å²	47.3	23%	0.23	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.6	167.7	-63.3	-26.6	0	0	0	109	G51 A71 L79 R80 Q138	G51-D69 WeakPolarHBondContact CA-OD2 3.29Å; G51-D69 PolarHBondContact O-N 3.06Å; D69-A71 PolarHBondContact O-N 3Å; D69-L79 WeakPolarHBondContact CA-O 3.41Å; D69-R80 VanDerWaalsContact CG-NH2 3.34Å; D69-R80 WeakPolarHBondContact OD1-CG 3.49Å; D69-R80 IonicContact OD1-CZ 3.79Å; D69-R80 VanDerWaalsContact OD1-CZ 3.27Å; D69-R80 IonicContact OD1-NE 3.91Å; D69-R80 PolarHBondContact OD1-NE 2.7Å; D69-R80 IonicContact OD1-NH2 2.81Å; D69-R80 PolarHBondContact OD1-NH2 2.97Å; D69-R80 IonicContact OD2-CZ 3.06Å; D69-R80 IonicContact OD2-NE 3.05Å; D69-R80 IonicContact OD2-NH2 3.27Å; D69-R80 PolarHBondContact OD2-NH2 3.23Å; D69-Q138 PolarHBondContact O-NE2 2.83Å
70	G	98.1	Very high	97.6	Very high	9 Å²	9	46.8 Å²	46.8	9%	0.093	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-60.9	131.9	171.1	0	0	0	0	0	110.6	Y76 L79	G70-Y76 WeakPolarHBondContact CA-O 3.45Å; G70-L79 PolarHBondContact N-O 3.39Å
71	A	97.9	Very high	97.9	Very high	40 Å²	40	44 Å²	44	33%	0.331	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-65.3	149.5	-176.1	0	0	0	0	0	111.7	D69 T74	D69-A71 PolarHBondContact O-N 3Å; A71-T74 HydrophobicContact CB-CG2 3.97Å; A71-T74 WeakPolarHBondContact O-CB 3.31Å; A71-T74 WeakPolarHBondContact O-CG2 3.48Å; A71-T74 PolarHBondContact O-N 2.91Å; A71-T74 PolarHBondContact O-OG1 2.82Å
72	Q	96.8	Very high	98.1	Very high	172 Å²	172	48.4 Å²	48.4	80%	0.804	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	139.5	175.7	-170.9	176	15.9	0	0	110.8	T74 E77	Q72-T74 VanDerWaalsContact C-N 3.29Å; Q72-E77 WeakPolarHBondContact CA-OE2 3.47Å
73	G	96.1	Very high	98.1	Very high	63 Å²	63	46.5 Å²	46.5	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-7.6	-177	0	0	0	0	0	114.5	E77	G73-E77 PolarHBondContact N-OE2 3.38Å
74	T	98.1	Very high	98.2	Very high	26 Å²	26	43.5 Å²	43.5	16%	0.16	25%	0.248	C	C	.	.	S	Bend	trans	-91.4	170	178.7	73.2	0	0	0	0	112	A71 Q72 Y76 E77 R165	A71-T74 HydrophobicContact CB-CG2 3.97Å; A71-T74 WeakPolarHBondContact O-CB 3.31Å; A71-T74 WeakPolarHBondContact O-CG2 3.48Å; A71-T74 PolarHBondContact O-N 2.91Å; A71-T74 PolarHBondContact O-OG1 2.82Å; Q72-T74 VanDerWaalsContact C-N 3.29Å; T74-Y76 PolarHBondContact O-N 2.9Å; T74-Y76 PolarHBondContact OG1-N 3.4Å; T74-E77 WeakPolarHBondContact O-CB 3.49Å; T74-E77 PolarHBondContact O-N 3.32Å; T74-E77 PolarHBondContact OG1-N 3.32Å; T74-R165 PolarHBondContact O-NH2 2.61Å
75	V	98.3	Very high	98.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	170.3	-63.5	0	0	0	0	112.6	W158 Q161 F164 R165 L168 H169	V75-W158 HydrophobicContact CG2-CH2 4.02Å; V75-W158 HydrophobicContact CG2-CZ3 3.8Å; V75-Q161 HydrophobicContact CG1-CB 4.23Å; V75-F164 HydrophobicContact CB-CD1 4Å; V75-F164 HydrophobicContact CG1-CD1 4.34Å; V75-F164 HydrophobicContact CG2-CD1 3.55Å; V75-F164 HydrophobicContact CG2-CE1 3.71Å; V75-R165 HydrophobicContact CB-CB 4.14Å; V75-R165 HydrophobicContact CG1-CB 4.04Å; V75-L168 HydrophobicContact CG2-CD2 4.37Å; V75-H169 PolarHBondContact O-NE2 3.46Å
76	Y	98.5	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.4	178.8	-61.1	-87.2	0	0	0	113.6	G70 T74 G78 L79 Y81 F105 H106 L141 W158 F164 L168	G70-Y76 WeakPolarHBondContact CA-O 3.45Å; T74-Y76 PolarHBondContact O-N 2.9Å; T74-Y76 PolarHBondContact OG1-N 3.4Å; Y76-G78 PolarHBondContact O-N 3.29Å; Y76-L79 VanDerWaalsContact O-CB 3.29Å; Y76-L79 WeakPolarHBondContact O-CB 3.33Å; Y76-L79 PolarHBondContact O-N 3.19Å; Y76-Y81 AromaticContact CD1-CE2 3.87Å; Y76-Y81 HydrophobicContact CD1-CE2 3.87Å; Y76-Y81 AromaticContact CD1-CZ 3.98Å; Y76-Y81 WeakPolarHBondContact CD1-OH 3.4Å; Y76-F105 PolarHBondContact OH-O 3.05Å; Y76-H106 AromaticContact CZ-CD2 3.7Å; Y76-H106 PolarHBondContact OH-CD2 2.96Å; Y76-L141 HydrophobicContact CD1-CD2 4.2Å; Y76-L141 HydrophobicContact CD2-CB 3.88Å; Y76-L141 WeakPolarHBondContact CD2-O 3.39Å; Y76-L141 HydrophobicContact CE1-CD2 4.09Å; Y76-L141 HydrophobicContact CE2-CB 4.22Å; Y76-L141 WeakPolarHBondContact CE2-O 3.42Å; Y76-L141 HydrophobicContact CG-CB 4.19Å; Y76-L141 HydrophobicContact CG-CD2 4.48Å; Y76-W158 HydrophobicContact CE2-CH2 4.13Å; Y76-W158 AromaticContact CE2-CZ3 3.94Å; Y76-W158 HydrophobicContact CE2-CZ3 3.94Å; Y76-F164 HydrophobicContact CE2-CE1 4.26Å; Y76-F164 AromaticContact CZ-CE1 3.87Å; Y76-F164 WeakPolarHBondContact OH-CE1 3.36Å; Y76-F164 WeakPolarHBondContact OH-CZ 3.34Å; Y76-L168 HydrophobicContact CD1-CD1 4.41Å; Y76-L168 HydrophobicContact CD1-CD2 3.55Å; Y76-L168 HydrophobicContact CE1-CD1 4Å; Y76-L168 HydrophobicContact CE1-CD2 3.64Å; Y76-L168 HydrophobicContact CE1-CG 4.49Å; Y76-L168 HydrophobicContact CG-CD2 4.07Å
77	E	98.1	Very high	98.2	Very high	83 Å²	83	42.6 Å²	42.6	39%	0.388	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-51.4	132.5	178.6	-177.9	176.5	162.4	0	0	111.3	Q72 G73 T74 L79 H169	Q72-E77 WeakPolarHBondContact CA-OE2 3.47Å; G73-E77 PolarHBondContact N-OE2 3.38Å; T74-E77 WeakPolarHBondContact O-CB 3.49Å; T74-E77 PolarHBondContact O-N 3.32Å; T74-E77 PolarHBondContact OG1-N 3.32Å; E77-L79 PolarHBondContact O-N 3.24Å; E77-H169 PolarHBondContact O-CE1 3.16Å
78	G	97.4	Very high	98.1	Very high	77 Å²	77	42.8 Å²	42.8	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	-6.4	-178.3	0	0	0	0	0	114.8	Y76	Y76-G78 PolarHBondContact O-N 3.29Å
79	L	98.3	Very high	97.8	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	28%	0.275	C	S	.	.			trans	-94.3	146	173.8	-51.8	-176.8	0	0	0	110.9	D69 G70 Y76 E77 Y81 L168 F172	D69-L79 WeakPolarHBondContact CA-O 3.41Å; G70-L79 PolarHBondContact N-O 3.39Å; Y76-L79 VanDerWaalsContact O-CB 3.29Å; Y76-L79 WeakPolarHBondContact O-CB 3.33Å; Y76-L79 PolarHBondContact O-N 3.19Å; E77-L79 PolarHBondContact O-N 3.24Å; L79-Y81 HydrophobicContact CB-CE2 3.91Å; L79-L168 HydrophobicContact CD1-CD1 4.16Å; L79-L168 HydrophobicContact CD1-CD2 3.56Å; L79-L168 HydrophobicContact CD1-CG 3.64Å; L79-F172 HydrophobicContact CB-CE2 4.35Å; L79-F172 HydrophobicContact CB-CZ 4.39Å; L79-F172 HydrophobicContact CD1-CD2 4.12Å; L79-F172 HydrophobicContact CD1-CG 4.32Å; L79-F172 HydrophobicContact CD2-CB 4.45Å; L79-F172 HydrophobicContact CD2-CD1 3.9Å; L79-F172 HydrophobicContact CD2-CD2 4.43Å; L79-F172 HydrophobicContact CD2-CE1 4.24Å; L79-F172 HydrophobicContact CD2-CG 4Å
80	R	98.3	Very high	97.7	Very high	151 Å²	151	45.6 Å²	45.6	57%	0.57	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	125	-178.7	172.1	170.6	-76.8	177.6	1.2	110.5	T67 I68 D69 F172	T67-R80 VanDerWaalsContact CG2-CD 3.45Å; T67-R80 HydrophobicContact CG2-CG 3.36Å; I68-R80 WeakPolarHBondContact O-CA 3.14Å; D69-R80 VanDerWaalsContact CG-NH2 3.34Å; D69-R80 WeakPolarHBondContact OD1-CG 3.49Å; D69-R80 IonicContact OD1-CZ 3.79Å; D69-R80 VanDerWaalsContact OD1-CZ 3.27Å; D69-R80 IonicContact OD1-NE 3.91Å; D69-R80 PolarHBondContact OD1-NE 2.7Å; D69-R80 IonicContact OD1-NH2 2.81Å; D69-R80 PolarHBondContact OD1-NH2 2.97Å; D69-R80 IonicContact OD2-CZ 3.06Å; D69-R80 IonicContact OD2-NE 3.05Å; D69-R80 IonicContact OD2-NH2 3.27Å; D69-R80 PolarHBondContact OD2-NH2 3.23Å; R80-F172 WeakPolarHBondContact O-CZ 3.08Å
81	Y	98.6	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.7	-178.1	-66.1	-88	0	0	0	111.5	T67 I68 Y76 L79 F100 T102 C104 L141 F172	T67-Y81 CarbonylContact C-O 3.51Å; T67-Y81 VanDerWaalsContact CA-O 3.25Å; T67-Y81 WeakPolarHBondContact CA-O 3.34Å; I68-Y81 PolarHBondContact N-O 2.97Å; I68-Y81 PolarHBondContact O-N 3.23Å; Y76-Y81 AromaticContact CD1-CE2 3.87Å; Y76-Y81 HydrophobicContact CD1-CE2 3.87Å; Y76-Y81 AromaticContact CD1-CZ 3.98Å; Y76-Y81 WeakPolarHBondContact CD1-OH 3.4Å; L79-Y81 HydrophobicContact CB-CE2 3.91Å; Y81-F100 AromaticContact CD1-CD1 3.9Å; Y81-F100 HydrophobicContact CD1-CD1 3.9Å; Y81-F100 AromaticContact CD1-CE1 3.94Å; Y81-F100 HydrophobicContact CD1-CE1 3.94Å; Y81-F100 HydrophobicContact CD2-CE1 4.5Å; Y81-F100 HydrophobicContact CG-CD1 4.08Å; Y81-F100 AromaticContact CG-CE1 3.75Å; Y81-F100 HydrophobicContact CG-CE1 3.75Å; Y81-T102 HydrophobicContact CD1-CG2 3.9Å; Y81-T102 HydrophobicContact CE1-CG2 4.35Å; Y81-C104 HydrophobicContact CD1-CB 4.05Å; Y81-C104 HydrophobicContact CE1-CB 3.82Å; Y81-L141 HydrophobicContact CD2-CD1 4.33Å; Y81-F172 HydrophobicContact CD1-CE2 4.11Å; Y81-F172 HydrophobicContact CE1-CD2 4.13Å; Y81-F172 AromaticContact CE1-CE2 3.49Å; Y81-F172 HydrophobicContact CE1-CE2 3.49Å; Y81-F172 VanDerWaalsContact CE1-CE2 3.49Å; Y81-F172 HydrophobicContact CE2-CE2 4.32Å; Y81-F172 AromaticContact CZ-CE2 3.6Å
82	R	98.4	Very high	97.6	Very high	123 Å²	123	44.3 Å²	44.3	46%	0.464	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.9	166	-67.5	-174.7	-65	173.3	-3.4	110.5	G66 V101 T102	G66-R82 CarbonylContact O-C 3.44Å; G66-R82 WeakPolarHBondContact O-CA 3.29Å; R82-V101 HydrophobicContact CB-CB 4.1Å; R82-V101 PolarHBondContact O-N 2.83Å; R82-T102 PolarHBondContact N-OG1 3Å; R82-T102 PolarHBondContact O-N 2.82Å
83	L	98.8	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.4	176	-59.4	94.9	0	0	0	110.6	I65 G66 I68 L85 V98 R99 F100 I115 V137	I65-L83 CarbonylContact C-O 3.57Å; I65-L83 WeakPolarHBondContact CA-O 3.49Å; G66-L83 PolarHBondContact N-O 2.76Å; G66-L83 PolarHBondContact O-N 2.85Å; I68-L83 HydrophobicContact CB-CD1 4.06Å; I68-L83 HydrophobicContact CD1-CD1 3.66Å; I68-L83 HydrophobicContact CD1-CD2 4.14Å; I68-L83 HydrophobicContact CG1-CD1 3.67Å; L83-L85 HydrophobicContact CB-CD1 4.36Å; L83-V98 HydrophobicContact CD2-CG1 3.98Å; L83-R99 CarbonylContact C-O 3.45Å; L83-R99 WeakPolarHBondContact CA-O 3.33Å; L83-R99 WeakPolarHBondContact CB-O 3.21Å; L83-F100 HydrophobicContact CD1-CE1 4.41Å; L83-F100 HydrophobicContact CD2-CD1 4.26Å; L83-F100 HydrophobicContact CD2-CE1 4.11Å; L83-F100 HydrophobicContact CD2-CE2 4.4Å; L83-F100 HydrophobicContact CD2-CG 4.48Å; L83-F100 HydrophobicContact CD2-CZ 4.18Å; L83-F100 HydrophobicContact CG-CD1 4.1Å; L83-F100 HydrophobicContact CG-CE1 4.21Å; L83-I115 HydrophobicContact CD2-CD1 4.06Å; L83-V137 HydrophobicContact CD2-CG1 3.97Å
84	S	98.6	Very high	97.7	Very high	24 Å²	24	47.8 Å²	47.8	17%	0.168	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.8	167.2	63.5	0	0	0	0	109.5	V98 R99	S84-V98 WeakPolarHBondContact O-CA 3.5Å; S84-R99 PolarHBondContact N-O 2.87Å; S84-R99 PolarHBondContact O-N 3.31Å
85	L	98.8	Very high	97.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.3	172.2	-59.8	80.9	0	0	0	108.7	K63 W64 L83 F87 R97 V98 V130	K63-L85 CarbonylContact C-O 3.54Å; K63-L85 WeakPolarHBondContact CA-O 3.28Å; W64-L85 HydrophobicContact CB-CB 4.24Å; W64-L85 PolarHBondContact N-O 2.94Å; W64-L85 PolarHBondContact O-N 3.4Å; L83-L85 HydrophobicContact CB-CD1 4.36Å; L85-F87 HydrophobicContact CB-CE2 4.02Å; L85-F87 HydrophobicContact CB-CZ 4.12Å; L85-F87 HydrophobicContact CD2-CZ 4.37Å; L85-R97 WeakPolarHBondContact CA-O 3.46Å; L85-V98 HydrophobicContact CD2-CG2 4.43Å; L85-V98 HydrophobicContact CG-CG1 4.27Å; L85-V98 HydrophobicContact CG-CG2 4.18Å; L85-V130 HydrophobicContact CD2-CG1 4.04Å; L85-V130 HydrophobicContact CD2-CG2 4.3Å
86	D	98.5	Very high	97.7	Very high	27 Å²	27	48 Å²	48	14%	0.144	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.5	175.9	-62.1	-70.8	0	0	0	110.2	P96 R97	D86-P96 CarbonylContact O-C 3.57Å; D86-P96 WeakPolarHBondContact O-CA 3.39Å; D86-R97 HydrophobicContact CB-CB 4.31Å; D86-R97 VanDerWaalsContact CG-NH2 3.26Å; D86-R97 PolarHBondContact N-O 2.95Å; D86-R97 PolarHBondContact O-N 3.1Å; D86-R97 IonicContact OD1-NH2 3.85Å; D86-R97 IonicContact OD2-CZ 3.29Å; D86-R97 VanDerWaalsContact OD2-CZ 3.29Å; D86-R97 IonicContact OD2-NE 2.8Å; D86-R97 PolarHBondContact OD2-NE 3.22Å; D86-R97 IonicContact OD2-NH2 2.71Å; D86-R97 PolarHBondContact OD2-NH2 2.89Å
87	F	98.4	Very high	97.7	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.053	28%	0.283	C	S	.	.			trans	-92.4	122.5	-178.7	-58.7	-90.6	0	0	0	110.9	L37 F62 W64 L85 Y91 P96 V130	L37-F87 HydrophobicContact CD1-CB 4.23Å; L37-F87 HydrophobicContact CD1-CD2 4.37Å; L37-F87 HydrophobicContact CD1-CG 4.15Å; L37-F87 HydrophobicContact CD2-CD1 3.41Å; L37-F87 VanDerWaalsContact CD2-CD1 3.41Å; L37-F87 HydrophobicContact CD2-CD2 4.13Å; L37-F87 HydrophobicContact CD2-CE1 3.49Å; L37-F87 VanDerWaalsContact CD2-CE1 3.49Å; L37-F87 HydrophobicContact CD2-CE2 4.22Å; L37-F87 HydrophobicContact CD2-CG 3.75Å; L37-F87 HydrophobicContact CD2-CZ 3.91Å; F62-F87 HydrophobicContact CB-CB 4.45Å; F62-F87 HydrophobicContact CD1-CB 4.3Å; F62-F87 WeakPolarHBondContact O-CD2 3.42Å; F62-F87 PolarHBondContact O-N 3.37Å; W64-F87 HydrophobicContact CB-CE2 4.13Å; W64-F87 AromaticContact CD1-CE2 3.43Å; W64-F87 VanDerWaalsContact CD1-CE2 3.43Å; W64-F87 HydrophobicContact CD2-CE2 4.01Å; W64-F87 HydrophobicContact CD2-CZ 4.26Å; W64-F87 AromaticContact CG-CE2 3.63Å; W64-F87 HydrophobicContact CG-CE2 3.63Å; W64-F87 HydrophobicContact CG-CZ 4.3Å; W64-F87 AromaticContact NE1-CE2 3.71Å; L85-F87 HydrophobicContact CB-CE2 4.02Å; L85-F87 HydrophobicContact CB-CZ 4.12Å; L85-F87 HydrophobicContact CD2-CZ 4.37Å; F87-Y91 HydrophobicContact CD1-CD1 4.26Å; F87-Y91 AromaticContact CD1-CD2 3.87Å; F87-Y91 HydrophobicContact CD1-CD2 3.87Å; F87-Y91 HydrophobicContact CD1-CE1 4.21Å; F87-Y91 AromaticContact CD1-CE2 3.84Å; F87-Y91 HydrophobicContact CD1-CE2 3.84Å; F87-Y91 HydrophobicContact CD1-CG 4.09Å; F87-Y91 HydrophobicContact CE1-CE2 4.19Å; F87-P96 HydrophobicContact CD1-CB 3.75Å; F87-P96 HydrophobicContact CD1-CG 4.43Å; F87-P96 HydrophobicContact CE1-CB 3.96Å; F87-P96 HydrophobicContact CE1-CG 4.31Å; F87-P96 HydrophobicContact CG-CB 4.37Å; F87-V130 HydrophobicContact CE1-CG2 3.9Å; F87-V130 HydrophobicContact CZ-CG2 3.55Å
88	P	96.8	Very high	97.7	Very high	34 Å²	34	50.8 Å²	50.8	22%	0.221	27%	0.267	C	S	.	.			trans	-73.1	164.1	178.1	31.5	-36.8	0	0	0	111.7	G90 Y91 Q94 A95	P88-G90 PolarHBondContact O-N 2.93Å; P88-G90 VanDerWaalsContact O-N 3.16Å; P88-Y91 VanDerWaalsContact O-CB 3.27Å; P88-Y91 WeakPolarHBondContact O-CB 3.19Å; P88-Y91 PolarHBondContact O-N 3.43Å; P88-Y91 VanDerWaalsContact O-N 3.07Å; P88-Q94 HydrophobicContact CB-CB 4.47Å; P88-Q94 HydrophobicContact CG-CB 3.7Å; P88-A95 WeakPolarHBondContact CG-O 3.45Å
89	A	93.3	Very high	97.8	Very high	77 Å²	77	51.4 Å²	51.4	64%	0.636	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	174.9	0	0	0	0	0	113.3
90	G	95.2	Very high	97.8	Very high	24 Å²	24	51.4 Å²	51.4	25%	0.247	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.9	176.7	0	0	0	0	0	115	P88 Y93 Q94	P88-G90 PolarHBondContact O-N 2.93Å; P88-G90 VanDerWaalsContact O-N 3.16Å; G90-Y93 WeakPolarHBondContact O-CA 3.43Å; G90-Y93 PolarHBondContact O-N 2.98Å; G90-Q94 PolarHBondContact O-N 2.75Å
91	Y	97.7	Very high	97.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.016	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	140.1	175.6	-171.2	-98.8	0	0	0	110.8	V33 R36 L37 E40 F87 P88 Q94 P96 W124	V33-Y91 HydrophobicContact CG1-CD1 4.05Å; V33-Y91 WeakPolarHBondContact CG2-O 3.43Å; R36-Y91 HydrophobicContact CG-CD1 4.25Å; R36-Y91 HydrophobicContact CG-CE1 3.73Å; R36-Y91 PolarHBondContact NH2-OH 3.38Å; L37-Y91 HydrophobicContact CD2-CD1 3.93Å; L37-Y91 HydrophobicContact CD2-CE1 3.6Å; L37-Y91 HydrophobicContact CG-CD1 4.36Å; L37-Y91 HydrophobicContact CG-CE1 4.35Å; E40-Y91 VanDerWaalsContact CD-OH 3.23Å; E40-Y91 PolarHBondContact OE1-OH 3.04Å; E40-Y91 PolarHBondContact OE2-OH 3.21Å; E40-Y91 VanDerWaalsContact OE2-OH 3.13Å; F87-Y91 HydrophobicContact CD1-CD1 4.26Å; F87-Y91 AromaticContact CD1-CD2 3.87Å; F87-Y91 HydrophobicContact CD1-CD2 3.87Å; F87-Y91 HydrophobicContact CD1-CE1 4.21Å; F87-Y91 AromaticContact CD1-CE2 3.84Å; F87-Y91 HydrophobicContact CD1-CE2 3.84Å; F87-Y91 HydrophobicContact CD1-CG 4.09Å; F87-Y91 HydrophobicContact CE1-CE2 4.19Å; P88-Y91 VanDerWaalsContact O-CB 3.27Å; P88-Y91 WeakPolarHBondContact O-CB 3.19Å; P88-Y91 PolarHBondContact O-N 3.43Å; P88-Y91 VanDerWaalsContact O-N 3.07Å; Y91-Q94 WeakPolarHBondContact CD2-O 3.43Å; Y91-P96 HydrophobicContact CE2-CG 4.34Å; Y91-W124 HydrophobicContact CD2-CZ2 4.26Å; Y91-W124 AromaticContact CE2-CH2 3.78Å; Y91-W124 HydrophobicContact CE2-CH2 3.78Å; Y91-W124 AromaticContact CE2-CZ2 3.62Å; Y91-W124 HydrophobicContact CE2-CZ2 3.62Å
92	P	97.4	Very high	97.8	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.123	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.1	5.5	4.2	38.1	-38.2	0	0	0	114.6	Q94 W124 A126	P92-Q94 VanDerWaalsContact C-N 3.29Å; P92-W124 WeakPolarHBondContact O-CZ2 3.3Å; P92-W124 PolarHBondContact O-NE1 2.99Å; P92-A126 HydrophobicContact CB-CB 4.11Å; P92-A126 HydrophobicContact CG-CB 4.12Å; P92-A126 WeakPolarHBondContact O-CA 3.35Å; P92-A126 WeakPolarHBondContact O-CB 3.42Å
93	Y	96.7	Very high	97.7	Very high	195 Å²	195	46.3 Å²	46.3	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-19.3	179.6	-58.1	-72.2	0	0	0	112.9	G90 A126	G90-Y93 WeakPolarHBondContact O-CA 3.43Å; G90-Y93 PolarHBondContact O-N 2.98Å; Y93-A126 HydrophobicContact CD1-CB 4.14Å; Y93-A126 HydrophobicContact CE1-CB 4.39Å
94	Q	97.2	Very high	97.7	Very high	112 Å²	112	47 Å²	47	52%	0.523	25%	0.25	S	C	.	.	S	Bend	trans	-111.3	135.6	169	-64.2	175.5	11.5	0	0	109.4	P88 G90 Y91 P92	P88-Q94 HydrophobicContact CB-CB 4.47Å; P88-Q94 HydrophobicContact CG-CB 3.7Å; G90-Q94 PolarHBondContact O-N 2.75Å; Y91-Q94 WeakPolarHBondContact CD2-O 3.43Å; P92-Q94 VanDerWaalsContact C-N 3.29Å
95	A	98.3	Very high	97.7	Very high	27 Å²	27	47.7 Å²	47.7	22%	0.223	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-60.6	146.1	178.1	0	0	0	0	0	111.7	P88 W124	P88-A95 WeakPolarHBondContact CG-O 3.45Å; A95-W124 HydrophobicContact CB-CB 3.98Å; A95-W124 HydrophobicContact CB-CD2 3.56Å; A95-W124 HydrophobicContact CB-CE3 3.89Å; A95-W124 HydrophobicContact CB-CG 3.58Å
96	P	98.4	Very high	97.7	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.026	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-69.7	151.2	167.3	31.9	-31.9	0	0	0	109.8	D86 F87 Y91 V98 W124 I133	D86-P96 CarbonylContact O-C 3.57Å; D86-P96 WeakPolarHBondContact O-CA 3.39Å; F87-P96 HydrophobicContact CD1-CB 3.75Å; F87-P96 HydrophobicContact CD1-CG 4.43Å; F87-P96 HydrophobicContact CE1-CB 3.96Å; F87-P96 HydrophobicContact CE1-CG 4.31Å; F87-P96 HydrophobicContact CG-CB 4.37Å; Y91-P96 HydrophobicContact CE2-CG 4.34Å; P96-V98 HydrophobicContact CG-CG2 4.27Å; P96-W124 HydrophobicContact CG-CH2 4.4Å; P96-W124 HydrophobicContact CG-CZ3 4.46Å; P96-I133 HydrophobicContact CG-CD1 3.46Å; P96-I133 VanDerWaalsContact CG-CD1 3.46Å
97	R	98.6	Very high	97.7	Very high	133 Å²	133	46.3 Å²	46.3	50%	0.502	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.4	170.4	178.3	178.3	62.6	-137.3	4.5	108.7	L85 D86	L85-R97 WeakPolarHBondContact CA-O 3.46Å; D86-R97 HydrophobicContact CB-CB 4.31Å; D86-R97 VanDerWaalsContact CG-NH2 3.26Å; D86-R97 PolarHBondContact N-O 2.95Å; D86-R97 PolarHBondContact O-N 3.1Å; D86-R97 IonicContact OD1-NH2 3.85Å; D86-R97 IonicContact OD2-CZ 3.29Å; D86-R97 VanDerWaalsContact OD2-CZ 3.29Å; D86-R97 IonicContact OD2-NE 2.8Å; D86-R97 PolarHBondContact OD2-NE 3.22Å; D86-R97 IonicContact OD2-NH2 2.71Å; D86-R97 PolarHBondContact OD2-NH2 2.89Å
98	V	98.8	Very high	97.7	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.8	-179.7	-172.5	0	0	0	0	109.3	L83 S84 L85 P96 I115 L120 I133	L83-V98 HydrophobicContact CD2-CG1 3.98Å; S84-V98 WeakPolarHBondContact O-CA 3.5Å; L85-V98 HydrophobicContact CD2-CG2 4.43Å; L85-V98 HydrophobicContact CG-CG1 4.27Å; L85-V98 HydrophobicContact CG-CG2 4.18Å; P96-V98 HydrophobicContact CG-CG2 4.27Å; V98-I115 HydrophobicContact CG1-CD1 4.04Å; V98-L120 HydrophobicContact CB-CD1 3.9Å; V98-L120 HydrophobicContact CB-CD2 4.43Å; V98-L120 HydrophobicContact CG2-CD1 4.18Å; V98-L120 HydrophobicContact CG2-CD2 3.79Å; V98-I133 HydrophobicContact CG1-CG2 4.46Å; V98-I133 HydrophobicContact CG2-CG2 3.9Å
99	R	98.8	Very high	97.8	Very high	91 Å²	91	44.2 Å²	44.2	34%	0.343	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.3	178.2	-69.9	-170.7	-92.8	-159	-0.2	111.4	L83 S84 G113	L83-R99 CarbonylContact C-O 3.45Å; L83-R99 WeakPolarHBondContact CA-O 3.33Å; L83-R99 WeakPolarHBondContact CB-O 3.21Å; S84-R99 PolarHBondContact N-O 2.87Å; S84-R99 PolarHBondContact O-N 3.31Å; R99-G113 CarbonylContact C-O 3.55Å; R99-G113 WeakPolarHBondContact CA-O 3.39Å
100	F	98.6	Very high	98	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.7	164.9	-79	-83	0	0	0	110	Y81 L83 T102 C104 V109 G113 I115 V137 L141	Y81-F100 AromaticContact CD1-CD1 3.9Å; Y81-F100 HydrophobicContact CD1-CD1 3.9Å; Y81-F100 AromaticContact CD1-CE1 3.94Å; Y81-F100 HydrophobicContact CD1-CE1 3.94Å; Y81-F100 HydrophobicContact CD2-CE1 4.5Å; Y81-F100 HydrophobicContact CG-CD1 4.08Å; Y81-F100 AromaticContact CG-CE1 3.75Å; Y81-F100 HydrophobicContact CG-CE1 3.75Å; L83-F100 HydrophobicContact CD1-CE1 4.41Å; L83-F100 HydrophobicContact CD2-CD1 4.26Å; L83-F100 HydrophobicContact CD2-CE1 4.11Å; L83-F100 HydrophobicContact CD2-CE2 4.4Å; L83-F100 HydrophobicContact CD2-CG 4.48Å; L83-F100 HydrophobicContact CD2-CZ 4.18Å; L83-F100 HydrophobicContact CG-CD1 4.1Å; L83-F100 HydrophobicContact CG-CE1 4.21Å; F100-T102 WeakPolarHBondContact CB-O 3.25Å; F100-C104 HydrophobicContact CB-CB 4.19Å; F100-C104 HydrophobicContact CD1-CB 3.83Å; F100-C104 HydrophobicContact CD2-CB 4.09Å; F100-C104 HydrophobicContact CE1-CB 4.2Å; F100-C104 HydrophobicContact CE2-CB 4.45Å; F100-C104 HydrophobicContact CG-CB 3.77Å; F100-C104 HydrophobicContact CZ-CB 4.5Å; F100-V109 HydrophobicContact CD2-CB 4.43Å; F100-V109 HydrophobicContact CD2-CG1 3.74Å; F100-V109 HydrophobicContact CD2-CG2 3.74Å; F100-V109 HydrophobicContact CE2-CG1 4.41Å; F100-V109 HydrophobicContact CE2-CG2 3.54Å; F100-V109 HydrophobicContact CG-CG1 4.44Å; F100-G113 PolarHBondContact N-O 2.86Å; F100-I115 HydrophobicContact CD2-CD1 3.75Å; F100-I115 HydrophobicContact CD2-CG1 3.7Å; F100-I115 HydrophobicContact CE2-CD1 3.6Å; F100-I115 HydrophobicContact CE2-CG1 3.78Å; F100-V137 HydrophobicContact CE2-CG1 4.13Å; F100-V137 HydrophobicContact CZ-CG1 3.76Å; F100-L141 HydrophobicContact CZ-CD2 4.12Å
101	V	98.1	Very high	98.1	Very high	71 Å²	71	49.2 Å²	49.2	43%	0.43	24%	0.241	S	C	.	.	S	Bend	trans	-94.1	-41.6	170.2	175.5	0	0	0	0	109.5	R82	R82-V101 HydrophobicContact CB-CB 4.1Å; R82-V101 PolarHBondContact O-N 2.83Å
102	T	98.1	Very high	98.1	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.031	27%	0.274	C	S	.	.	S	Bend	trans	-73.8	127	168	-58.6	0	0	0	0	108.5	Y81 R82 F100 C104 F172	Y81-T102 HydrophobicContact CD1-CG2 3.9Å; Y81-T102 HydrophobicContact CE1-CG2 4.35Å; R82-T102 PolarHBondContact N-OG1 3Å; R82-T102 PolarHBondContact O-N 2.82Å; F100-T102 WeakPolarHBondContact CB-O 3.25Å; T102-C104 PolarHBondContact O-N 2.76Å; T102-F172 HydrophobicContact CG2-CE2 3.81Å; T102-F172 HydrophobicContact CG2-CZ 3.91Å
103	P	97.6	Very high	98.1	Very high	92 Å²	92	55.6 Å²	55.6	60%	0.597	27%	0.271	S	S	*	.			trans	-50.6	130.7	175.8	-27.6	35.4	0	0	0	111.7
104	C	98.3	Very high	98.2	Very high	13 Å²	13	47.8 Å²	47.8	9%	0.088	25%	0.246	C	C	.	.			trans	-126	107.1	-172.9	-171.8	0	0	0	0	110.3	Y81 F100 T102 H106 V109	Y81-C104 HydrophobicContact CD1-CB 4.05Å; Y81-C104 HydrophobicContact CE1-CB 3.82Å; F100-C104 HydrophobicContact CB-CB 4.19Å; F100-C104 HydrophobicContact CD1-CB 3.83Å; F100-C104 HydrophobicContact CD2-CB 4.09Å; F100-C104 HydrophobicContact CE1-CB 4.2Å; F100-C104 HydrophobicContact CE2-CB 4.45Å; F100-C104 HydrophobicContact CG-CB 3.77Å; F100-C104 HydrophobicContact CZ-CB 4.5Å; T102-C104 PolarHBondContact O-N 2.76Å; C104-H106 PolarHBondContact O-N 2.81Å; C104-H106 VanDerWaalsContact O-N 3.16Å; C104-V109 HydrophobicContact CB-CG1 4.11Å
105	F	98.4	Very high	98.3	Very high	39 Å²	39	43 Å²	43	17%	0.171	23%	0.225	C	C	.	.			trans	-76.9	97.3	171	-177.3	-101.5	0	0	0	109.1	Y76 A154 L157 F164 H167 L168	Y76-F105 PolarHBondContact OH-O 3.05Å; F105-A154 HydrophobicContact CD1-CB 4.25Å; F105-A154 HydrophobicContact CD2-CB 4.36Å; F105-A154 HydrophobicContact CE1-CB 3.81Å; F105-A154 HydrophobicContact CE2-CB 3.93Å; F105-A154 VanDerWaalsContact CZ-CA 3.48Å; F105-A154 HydrophobicContact CZ-CB 3.64Å; F105-L157 HydrophobicContact CE1-CD2 4.26Å; F105-L157 HydrophobicContact CZ-CD2 4.41Å; F105-F164 HydrophobicContact CD1-CE1 4.2Å; F105-F164 AromaticContact CD1-CE2 3.98Å; F105-F164 HydrophobicContact CD1-CE2 3.98Å; F105-F164 AromaticContact CD1-CZ 3.65Å; F105-F164 HydrophobicContact CD1-CZ 3.65Å; F105-F164 HydrophobicContact CE1-CD2 4.1Å; F105-F164 HydrophobicContact CE1-CE1 4.43Å; F105-F164 AromaticContact CE1-CE2 3.53Å; F105-F164 HydrophobicContact CE1-CE2 3.53Å; F105-F164 AromaticContact CE1-CZ 3.72Å; F105-F164 HydrophobicContact CE1-CZ 3.72Å; F105-H167 AromaticContact CD1-CD2 3.89Å; F105-H167 AromaticContact CE1-CD2 3.6Å; F105-H167 AromaticContact CE2-NE2 3.87Å; F105-H167 AromaticContact CZ-CD2 3.71Å; F105-H167 AromaticContact CZ-NE2 3.89Å; F105-L168 HydrophobicContact CB-CD1 3.99Å; F105-L168 HydrophobicContact CD1-CD1 4.48Å
106	H	98.7	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.			trans	-152.4	142.1	-174.2	-179.7	-81.4	0	0	0	111.1	Y76 C104 N108 V109 L140 N151	Y76-H106 AromaticContact CZ-CD2 3.7Å; Y76-H106 PolarHBondContact OH-CD2 2.96Å; C104-H106 PolarHBondContact O-N 2.81Å; C104-H106 VanDerWaalsContact O-N 3.16Å; H106-N108 VanDerWaalsContact C-N 3.27Å; H106-N108 PolarHBondContact CE1-OD1 2.87Å; H106-N108 PolarHBondContact ND1-N 3.4Å; H106-N108 PolarHBondContact O-N 2.65Å; H106-N108 VanDerWaalsContact O-N 3.15Å; H106-V109 HydrophobicContact CB-CB 4.1Å; H106-V109 HydrophobicContact CB-CG2 3.85Å; H106-V109 PolarHBondContact O-N 2.88Å; H106-V109 VanDerWaalsContact O-N 3.11Å; H106-L140 PolarHBondContact NE2-O 3Å; H106-N151 WeakPolarHBondContact O-CB 3.49Å
107	P	98.8	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.3	-177.7	-29.3	36.2	0	0	0	114.8	P144 N146 P149 L150 N151 A154 A155 W158	P107-P144 HydrophobicContact CB-CB 3.98Å; P107-P144 HydrophobicContact CG-CB 3.8Å; P107-P144 HydrophobicContact CG-CG 4.07Å; P107-N146 VanDerWaalsContact CB-OD1 3.31Å; P107-N146 WeakPolarHBondContact CB-OD1 3.35Å; P107-N146 WeakPolarHBondContact CG-OD1 3.45Å; P107-P149 HydrophobicContact CB-CB 4.44Å; P107-P149 CarbonylContact O-C 3.48Å; P107-P149 WeakPolarHBondContact O-CA 3.25Å; P107-P149 WeakPolarHBondContact O-CB 3.44Å; P107-L150 PolarHBondContact O-N 2.93Å; P107-N151 PolarHBondContact O-N 3Å; P107-A154 HydrophobicContact CG-CB 4.13Å; P107-A155 HydrophobicContact CB-CB 4.09Å; P107-A155 HydrophobicContact CG-CB 4.5Å; P107-W158 HydrophobicContact CG-CE3 4.34Å
108	N	98.8	Very high	98	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	17.9	-178.2	-52.3	112.7	0	0	0	115.3	H106 C116 L140 P144 N145	H106-N108 VanDerWaalsContact C-N 3.27Å; H106-N108 PolarHBondContact CE1-OD1 2.87Å; H106-N108 PolarHBondContact ND1-N 3.4Å; H106-N108 PolarHBondContact O-N 2.65Å; H106-N108 VanDerWaalsContact O-N 3.15Å; N108-C116 HydrophobicContact CB-CB 4.26Å; N108-C116 PolarHBondContact O-N 3.38Å; N108-L140 HydrophobicContact CB-CD1 4.49Å; N108-L140 HydrophobicContact CB-CD2 4.18Å; N108-P144 WeakPolarHBondContact OD1-CA 3.45Å; N108-P144 WeakPolarHBondContact OD1-CB 3.23Å; N108-N145 PolarHBondContact ND2-O 3.14Å; N108-N145 PolarHBondContact OD1-N 3.38Å
109	V	98.7	Very high	97.9	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-124	133.7	177	-175.1	0	0	0	0	109.7	F100 C104 H106 A114 I115	F100-V109 HydrophobicContact CD2-CB 4.43Å; F100-V109 HydrophobicContact CD2-CG1 3.74Å; F100-V109 HydrophobicContact CD2-CG2 3.74Å; F100-V109 HydrophobicContact CE2-CG1 4.41Å; F100-V109 HydrophobicContact CE2-CG2 3.54Å; F100-V109 HydrophobicContact CG-CG1 4.44Å; C104-V109 HydrophobicContact CB-CG1 4.11Å; H106-V109 HydrophobicContact CB-CB 4.1Å; H106-V109 HydrophobicContact CB-CG2 3.85Å; H106-V109 PolarHBondContact O-N 2.88Å; H106-V109 VanDerWaalsContact O-N 3.11Å; V109-A114 WeakPolarHBondContact CA-O 3.5Å; V109-I115 HydrophobicContact CG2-CG1 4.5Å
110	D	98.1	Very high	97.7	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.294	21%	0.211	S	C	.	.			trans	-88.7	173.8	174.5	74.5	14.3	0	0	0	112.9	Q112 G113 A114 L150	D110-Q112 PolarHBondContact O-N 3.46Å; D110-Q112 VanDerWaalsContact O-N 3.08Å; D110-Q112 VanDerWaalsContact OD1-C 3.29Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.46Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.32Å; D110-Q112 PolarHBondContact OD1-N 3.27Å; D110-G113 PolarHBondContact O-N 2.89Å; D110-G113 PolarHBondContact OD1-N 3.23Å; D110-A114 PolarHBondContact N-O 2.74Å; D110-A114 VanDerWaalsContact N-O 3.08Å; D110-A114 WeakPolarHBondContact OD1-CB 3.32Å; D110-A114 PolarHBondContact OD1-N 2.87Å; D110-A114 VanDerWaalsContact OD2-CB 3.29Å; D110-A114 WeakPolarHBondContact OD2-CB 3.38Å; D110-L150 HydrophobicContact CB-CB 4.26Å; D110-L150 HydrophobicContact CB-CD1 4.16Å
111	D	96.3	Very high	97.5	Very high	151 Å²	151	42.9 Å²	42.9	81%	0.807	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16	-179.6	-62.9	-25.5	0	0	0	114
112	Q	97.3	Very high	97.3	Very high	150 Å²	150	45.7 Å²	45.7	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	6.9	176.6	-56.2	-57.7	-58.7	0	0	112.2	D110 A114	D110-Q112 PolarHBondContact O-N 3.46Å; D110-Q112 VanDerWaalsContact O-N 3.08Å; D110-Q112 VanDerWaalsContact OD1-C 3.29Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.46Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.32Å; D110-Q112 PolarHBondContact OD1-N 3.27Å; Q112-A114 VanDerWaalsContact C-N 3.3Å; Q112-A114 PolarHBondContact O-N 2.95Å
113	G	98.2	Very high	97.2	Very high	6 Å²	6	51.2 Å²	51.2	6%	0.062	27%	0.269	C	S	.	.			trans	76.1	11.2	-180	0	0	0	0	0	114.3	R99 F100 D110	R99-G113 CarbonylContact C-O 3.55Å; R99-G113 WeakPolarHBondContact CA-O 3.39Å; F100-G113 PolarHBondContact N-O 2.86Å; D110-G113 PolarHBondContact O-N 2.89Å; D110-G113 PolarHBondContact OD1-N 3.23Å
114	A	98.4	Very high	97.3	Very high	31 Å²	31	48.6 Å²	48.6	26%	0.256	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-70.3	137.8	175.2	0	0	0	0	0	110.6	V109 D110 Q112 L150	V109-A114 WeakPolarHBondContact CA-O 3.5Å; D110-A114 PolarHBondContact N-O 2.74Å; D110-A114 VanDerWaalsContact N-O 3.08Å; D110-A114 WeakPolarHBondContact OD1-CB 3.32Å; D110-A114 PolarHBondContact OD1-N 2.87Å; D110-A114 VanDerWaalsContact OD2-CB 3.29Å; D110-A114 WeakPolarHBondContact OD2-CB 3.38Å; Q112-A114 VanDerWaalsContact C-N 3.3Å; Q112-A114 PolarHBondContact O-N 2.95Å; A114-L150 WeakPolarHBondContact O-CD1 3.4Å
115	I	98.5	Very high	97.3	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.067	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-105.5	128.1	-173.4	-51.5	174.5	0	0	0	109.2	L83 V98 F100 V109 L117 L120 V137 L140	L83-I115 HydrophobicContact CD2-CD1 4.06Å; V98-I115 HydrophobicContact CG1-CD1 4.04Å; F100-I115 HydrophobicContact CD2-CD1 3.75Å; F100-I115 HydrophobicContact CD2-CG1 3.7Å; F100-I115 HydrophobicContact CE2-CD1 3.6Å; F100-I115 HydrophobicContact CE2-CG1 3.78Å; V109-I115 HydrophobicContact CG2-CG1 4.5Å; I115-L117 HydrophobicContact CG2-CB 3.92Å; I115-L117 PolarHBondContact O-N 3.4Å; I115-L120 HydrophobicContact CB-CD1 4.45Å; I115-V137 HydrophobicContact CD1-CG1 4.17Å; I115-V137 HydrophobicContact CD1-CG2 4.1Å; I115-L140 HydrophobicContact CG2-CD2 3.72Å
116	C	97.6	Very high	97.2	Very high	37 Å²	37	49.4 Å²	49.4	25%	0.25	26%	0.26	C	S	.	.			trans	-87.3	91.2	166.3	-166.8	0	0	0	0	110.2	N108 L150	N108-C116 HydrophobicContact CB-CB 4.26Å; N108-C116 PolarHBondContact O-N 3.38Å; C116-L150 HydrophobicContact CB-CD1 3.78Å; C116-L150 HydrophobicContact CB-CD2 4.29Å; C116-L150 HydrophobicContact CB-CG 3.84Å
117	L	96.9	Very high	97.2	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.105	30%	0.299	C	S	.	.			trans	-135	129.1	175.8	-179.2	62.4	0	0	0	109.1	I115 I119 L120 V137 L140	I115-L117 HydrophobicContact CG2-CB 3.92Å; I115-L117 PolarHBondContact O-N 3.4Å; L117-I119 HydrophobicContact CD1-CG1 4.4Å; L117-I119 HydrophobicContact CD2-CD1 4.06Å; L117-I119 HydrophobicContact CD2-CG1 3.64Å; L117-I119 HydrophobicContact CG-CG1 3.68Å; L117-I119 PolarHBondContact O-N 2.73Å; L117-L120 HydrophobicContact CB-CD1 4.21Å; L117-L120 HydrophobicContact CB-CG 4.38Å; L117-L120 HydrophobicContact CD2-CD1 4.23Å; L117-L120 HydrophobicContact CD2-CG 4.25Å; L117-L120 PolarHBondContact O-N 3.08Å; L117-L120 VanDerWaalsContact O-N 3.08Å; L117-V137 HydrophobicContact CD2-CG2 3.98Å; L117-L140 HydrophobicContact CB-CD2 4.35Å; L117-L140 HydrophobicContact CD1-CD2 4.39Å
118	D	94.6	Very high	97.2	Very high	59 Å²	59	60.5 Å²	60.5	32%	0.316	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-64.4	-36.9	-171.8	60.1	-7.9	0	0	0	113.1	L120 K121 D122 K123	D118-L120 PolarHBondContact O-N 3.42Å; D118-K121 CarbonylContact O-C 3.57Å; D118-K121 PolarHBondContact O-N 2.93Å; D118-D122 PolarHBondContact O-N 3.25Å; D118-K123 HydrophobicContact CB-CB 4.3Å; D118-K123 HydrophobicContact CB-CD 4.13Å; D118-K123 HydrophobicContact CB-CG 4.12Å; D118-K123 PolarHBondContact O-N 3.18Å; D118-K123 VanDerWaalsContact OD2-CD 3.26Å; D118-K123 WeakPolarHBondContact OD2-CD 3.46Å; D118-K123 VanDerWaalsContact OD2-CE 3.3Å; D118-K123 WeakPolarHBondContact OD2-CE 3.43Å; D118-K123 IonicContact OD2-NZ 2.65Å; D118-K123 PolarHBondContact OD2-NZ 2.87Å
119	I	96.8	Very high	97.2	Very high	14 Å²	14	61.8 Å²	61.8	7%	0.072	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.2	175.6	66.8	154.9	0	0	0	112.7	L117 K121 W124 Y128 S136	L117-I119 HydrophobicContact CD1-CG1 4.4Å; L117-I119 HydrophobicContact CD2-CD1 4.06Å; L117-I119 HydrophobicContact CD2-CG1 3.64Å; L117-I119 HydrophobicContact CG-CG1 3.68Å; L117-I119 PolarHBondContact O-N 2.73Å; I119-K121 VanDerWaalsContact C-N 3.35Å; I119-W124 WeakPolarHBondContact O-CA 3.34Å; I119-W124 WeakPolarHBondContact O-CB 3.22Å; I119-W124 VanDerWaalsContact O-CE3 3.28Å; I119-Y128 HydrophobicContact CB-CD2 4.23Å; I119-Y128 HydrophobicContact CB-CE2 3.83Å; I119-Y128 HydrophobicContact CG2-CE2 3.77Å; I119-S136 WeakPolarHBondContact CD1-OG 3.5Å
120	L	96.3	Very high	97.2	Very high	24 Å²	24	61.8 Å²	61.8	13%	0.126	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-91.4	1.1	174	-62.8	177.8	0	0	0	112.8	V98 I115 L117 D118 I133	V98-L120 HydrophobicContact CB-CD1 3.9Å; V98-L120 HydrophobicContact CB-CD2 4.43Å; V98-L120 HydrophobicContact CG2-CD1 4.18Å; V98-L120 HydrophobicContact CG2-CD2 3.79Å; I115-L120 HydrophobicContact CB-CD1 4.45Å; L117-L120 HydrophobicContact CB-CD1 4.21Å; L117-L120 HydrophobicContact CB-CG 4.38Å; L117-L120 HydrophobicContact CD2-CD1 4.23Å; L117-L120 HydrophobicContact CD2-CG 4.25Å; L117-L120 PolarHBondContact O-N 3.08Å; L117-L120 VanDerWaalsContact O-N 3.08Å; D118-L120 PolarHBondContact O-N 3.42Å; L120-I133 HydrophobicContact CD2-CD1 4.5Å; L120-I133 HydrophobicContact CD2-CG1 4.32Å; L120-I133 HydrophobicContact CD2-CG2 4.29Å
121	K	93.1	Very high	97.2	Very high	118 Å²	118	63 Å²	63	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-110.9	-176.8	-65.3	-178.3	179	177.2	0	110.4	D118 I119	D118-K121 CarbonylContact O-C 3.57Å; D118-K121 PolarHBondContact O-N 2.93Å; I119-K121 VanDerWaalsContact C-N 3.35Å
122	D	94.2	Very high	97.3	Very high	131 Å²	131	57.4 Å²	57.4	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.4	-171.1	57.5	-65.8	0	0	0	113.5	D118	D118-D122 PolarHBondContact O-N 3.25Å
123	K	96.9	Very high	97.3	Very high	120 Å²	120	50.2 Å²	50.2	52%	0.522	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	13.9	175.8	-59.1	-164.2	-162.6	154.1	0	113.7	D118 S125 Y128	D118-K123 HydrophobicContact CB-CB 4.3Å; D118-K123 HydrophobicContact CB-CD 4.13Å; D118-K123 HydrophobicContact CB-CG 4.12Å; D118-K123 PolarHBondContact O-N 3.18Å; D118-K123 VanDerWaalsContact OD2-CD 3.26Å; D118-K123 WeakPolarHBondContact OD2-CD 3.46Å; D118-K123 VanDerWaalsContact OD2-CE 3.3Å; D118-K123 WeakPolarHBondContact OD2-CE 3.43Å; D118-K123 IonicContact OD2-NZ 2.65Å; D118-K123 PolarHBondContact OD2-NZ 2.87Å; K123-S125 PolarHBondContact O-N 2.72Å; K123-Y128 WeakPolarHBondContact O-CE2 3.42Å
124	W	98.4	Very high	97.4	Very high	38 Å²	38	50 Å²	50	14%	0.144	26%	0.257	C	S	.	.			trans	-59	132.7	174.3	173.6	-104.7	0	0	0	111.2	Y91 P92 A95 P96 I119 Y128 I133	Y91-W124 HydrophobicContact CD2-CZ2 4.26Å; Y91-W124 AromaticContact CE2-CH2 3.78Å; Y91-W124 HydrophobicContact CE2-CH2 3.78Å; Y91-W124 AromaticContact CE2-CZ2 3.62Å; Y91-W124 HydrophobicContact CE2-CZ2 3.62Å; P92-W124 WeakPolarHBondContact O-CZ2 3.3Å; P92-W124 PolarHBondContact O-NE1 2.99Å; A95-W124 HydrophobicContact CB-CB 3.98Å; A95-W124 HydrophobicContact CB-CD2 3.56Å; A95-W124 HydrophobicContact CB-CE3 3.89Å; A95-W124 HydrophobicContact CB-CG 3.58Å; P96-W124 HydrophobicContact CG-CH2 4.4Å; P96-W124 HydrophobicContact CG-CZ3 4.46Å; I119-W124 WeakPolarHBondContact O-CA 3.34Å; I119-W124 WeakPolarHBondContact O-CB 3.22Å; I119-W124 VanDerWaalsContact O-CE3 3.28Å; W124-Y128 HydrophobicContact CE3-CD2 4Å; W124-Y128 HydrophobicContact CZ3-CD2 4.23Å; W124-Y128 HydrophobicContact CZ3-CG 4.47Å; W124-I133 HydrophobicContact CH2-CD1 4.26Å; W124-I133 HydrophobicContact CZ3-CD1 3.92Å; W124-I133 HydrophobicContact CZ3-CG1 4.22Å
125	S	98.1	Very high	97.4	Very high	40 Å²	40	50.7 Å²	50.7	28%	0.28	26%	0.256	S	S	.	.			trans	-122.3	137.1	172.6	177.4	0	0	0	0	109.6	K123 L127 Y128	K123-S125 PolarHBondContact O-N 2.72Å; S125-L127 PolarHBondContact O-N 3.02Å; S125-L127 PolarHBondContact OG-N 3.06Å; S125-Y128 WeakPolarHBondContact O-CB 3.26Å; S125-Y128 PolarHBondContact O-N 3.35Å
126	A	97.6	Very high	97.4	Very high	29 Å²	29	52 Å²	52	24%	0.24	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-8.7	173.9	0	0	0	0	0	113.5	R36 P92 Y93	R36-A126 PolarHBondContact NH1-O 2.77Å; R36-A126 PolarHBondContact NH2-O 3.48Å; R36-A126 VanDerWaalsContact NH2-O 3.16Å; P92-A126 HydrophobicContact CB-CB 4.11Å; P92-A126 HydrophobicContact CG-CB 4.12Å; P92-A126 WeakPolarHBondContact O-CA 3.35Å; P92-A126 WeakPolarHBondContact O-CB 3.42Å; Y93-A126 HydrophobicContact CD1-CB 4.14Å; Y93-A126 HydrophobicContact CE1-CB 4.39Å
127	L	97.7	Very high	97.4	Very high	155 Å²	155	50.3 Å²	50.3	81%	0.812	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.4	171.9	-61.6	178.2	0	0	0	113.2	S125	S125-L127 PolarHBondContact O-N 3.02Å; S125-L127 PolarHBondContact OG-N 3.06Å
128	Y	98.5	Very high	97.5	Very high	78 Å²	78	50.9 Å²	50.9	31%	0.306	26%	0.257	S	S	.	.			trans	-72	142	176.4	-62.1	-39.6	0	0	0	111.1	R36 I119 K123 W124 S125	R36-Y128 PolarHBondContact NH2-O 2.88Å; I119-Y128 HydrophobicContact CB-CD2 4.23Å; I119-Y128 HydrophobicContact CB-CE2 3.83Å; I119-Y128 HydrophobicContact CG2-CE2 3.77Å; K123-Y128 WeakPolarHBondContact O-CE2 3.42Å; W124-Y128 HydrophobicContact CE3-CD2 4Å; W124-Y128 HydrophobicContact CZ3-CD2 4.23Å; W124-Y128 HydrophobicContact CZ3-CG 4.47Å; S125-Y128 WeakPolarHBondContact O-CB 3.26Å; S125-Y128 PolarHBondContact O-N 3.35Å
129	D	98.5	Very high	97.7	Very high	28 Å²	28	51.3 Å²	51.3	15%	0.15	27%	0.265	C	S	.	.			trans	-118.8	173.6	177.1	61.7	3.3	0	0	0	111	E40 R131 S132 I133	E40-D129 HydrophobicContact CB-CB 4.49Å; E40-D129 HydrophobicContact CG-CB 3.73Å; E40-D129 VanDerWaalsContact OE2-CA 3.25Å; E40-D129 WeakPolarHBondContact OE2-CA 3.4Å; E40-D129 WeakPolarHBondContact OE2-CB 3.41Å; D129-R131 PolarHBondContact O-N 3.45Å; D129-R131 PolarHBondContact OD1-N 3.13Å; D129-S132 PolarHBondContact O-N 3.13Å; D129-S132 VanDerWaalsContact O-N 3.13Å; D129-S132 VanDerWaalsContact OD1-CB 3.26Å; D129-S132 WeakPolarHBondContact OD1-CB 3.37Å; D129-S132 PolarHBondContact OD1-N 2.78Å; D129-S132 PolarHBondContact OD1-OG 3.05Å; D129-I133 WeakPolarHBondContact O-CG1 3.31Å; D129-I133 PolarHBondContact O-N 3.1Å
130	V	98.6	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53	-41.1	176	173.1	0	0	0	0	111.6	E40 L44 A54 W64 L85 F87 I133 L134	E40-V130 WeakPolarHBondContact OE2-CG2 3.11Å; E40-V130 PolarHBondContact OE2-N 3.07Å; L44-V130 HydrophobicContact CD2-CG1 3.92Å; A54-V130 HydrophobicContact CB-CG1 4.01Å; W64-V130 HydrophobicContact CE3-CG1 4.12Å; W64-V130 HydrophobicContact CE3-CG2 4.11Å; W64-V130 HydrophobicContact CH2-CG2 4.18Å; W64-V130 HydrophobicContact CZ3-CB 4.15Å; W64-V130 HydrophobicContact CZ3-CG1 3.94Å; W64-V130 HydrophobicContact CZ3-CG2 3.82Å; L85-V130 HydrophobicContact CD2-CG1 4.04Å; L85-V130 HydrophobicContact CD2-CG2 4.3Å; F87-V130 HydrophobicContact CE1-CG2 3.9Å; F87-V130 HydrophobicContact CZ-CG2 3.55Å; V130-I133 PolarHBondContact O-N 3.16Å; V130-L134 HydrophobicContact CG1-CD1 3.87Å; V130-L134 HydrophobicContact CG1-CG 4.18Å; V130-L134 VanDerWaalsContact O-CG 3.31Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 3.03Å
131	R	98.5	Very high	97.9	Very high	80 Å²	80	50.5 Å²	50.5	30%	0.302	26%	0.261	S	S	.	.	H	α-helix	trans	-57.3	-52	176.7	179.2	-175.1	178	-98.6	-8.6	111.3	L44 D49 D129 I133 L134 L135	L44-R131 HydrophobicContact CD1-CB 4.06Å; L44-R131 HydrophobicContact CD1-CG 4.34Å; D49-R131 IonicContact OD1-CZ 3.07Å; D49-R131 IonicContact OD1-NE 3.52Å; D49-R131 IonicContact OD1-NH2 3.52Å; D49-R131 PolarHBondContact OD1-NH2 2.96Å; D49-R131 WeakPolarHBondContact OD2-CD 3.43Å; D49-R131 WeakPolarHBondContact OD2-CG 3.44Å; D49-R131 IonicContact OD2-CZ 2.62Å; D49-R131 IonicContact OD2-NE 3.59Å; D49-R131 PolarHBondContact OD2-NE 3.26Å; D49-R131 IonicContact OD2-NH2 2.69Å; D129-R131 PolarHBondContact O-N 3.45Å; D129-R131 PolarHBondContact OD1-N 3.13Å; R131-I133 VanDerWaalsContact C-N 3.29Å; R131-I133 PolarHBondContact O-N 2.68Å; R131-L134 PolarHBondContact O-N 3.06Å; R131-L135 HydrophobicContact CG-CD1 4.02Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.78Å
132	S	98.4	Very high	98.1	Very high	34 Å²	34	46.2 Å²	46.2	24%	0.238	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-42.4	179.8	-55	0	0	0	0	111.2	D129 S136	D129-S132 PolarHBondContact O-N 3.13Å; D129-S132 VanDerWaalsContact O-N 3.13Å; D129-S132 VanDerWaalsContact OD1-CB 3.26Å; D129-S132 WeakPolarHBondContact OD1-CB 3.37Å; D129-S132 PolarHBondContact OD1-N 2.78Å; D129-S132 PolarHBondContact OD1-OG 3.05Å; S132-S136 WeakPolarHBondContact O-CB 3.33Å; S132-S136 PolarHBondContact O-N 3.39Å; S132-S136 PolarHBondContact O-OG 2.99Å; S132-S136 VanDerWaalsContact O-OG 3.06Å
133	I	98.7	Very high	98.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-52.2	176.1	-69.1	166.2	0	0	0	111.1	P96 V98 L120 W124 D129 V130 R131 L135 S136 V137	P96-I133 HydrophobicContact CG-CD1 3.46Å; P96-I133 VanDerWaalsContact CG-CD1 3.46Å; V98-I133 HydrophobicContact CG1-CG2 4.46Å; V98-I133 HydrophobicContact CG2-CG2 3.9Å; L120-I133 HydrophobicContact CD2-CD1 4.5Å; L120-I133 HydrophobicContact CD2-CG1 4.32Å; L120-I133 HydrophobicContact CD2-CG2 4.29Å; W124-I133 HydrophobicContact CH2-CD1 4.26Å; W124-I133 HydrophobicContact CZ3-CD1 3.92Å; W124-I133 HydrophobicContact CZ3-CG1 4.22Å; D129-I133 WeakPolarHBondContact O-CG1 3.31Å; D129-I133 PolarHBondContact O-N 3.1Å; V130-I133 PolarHBondContact O-N 3.16Å; R131-I133 VanDerWaalsContact C-N 3.29Å; R131-I133 PolarHBondContact O-N 2.68Å; I133-L135 PolarHBondContact O-N 3.26Å; I133-S136 PolarHBondContact O-N 3.48Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 3.31Å
134	L	98.8	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-40.5	-176.2	-66.8	174.8	0	0	0	111.8	L44 I52 A54 I68 V130 R131 V137 Q138	L44-L134 HydrophobicContact CD1-CD1 4.28Å; L44-L134 HydrophobicContact CD2-CD1 4.11Å; I52-L134 HydrophobicContact CB-CB 4.06Å; I52-L134 HydrophobicContact CB-CD1 4.31Å; I52-L134 HydrophobicContact CD1-CB 3.89Å; I52-L134 HydrophobicContact CG2-CB 4.14Å; A54-L134 HydrophobicContact CB-CD1 3.92Å; I68-L134 HydrophobicContact CD1-CB 4.49Å; I68-L134 HydrophobicContact CD1-CD2 4.03Å; I68-L134 WeakPolarHBondContact CD1-O 3.4Å; I68-L134 HydrophobicContact CG1-CD2 4.12Å; V130-L134 HydrophobicContact CG1-CD1 3.87Å; V130-L134 HydrophobicContact CG1-CG 4.18Å; V130-L134 VanDerWaalsContact O-CG 3.31Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 3.03Å; R131-L134 PolarHBondContact O-N 3.06Å; L134-V137 PolarHBondContact O-N 2.93Å; L134-Q138 WeakPolarHBondContact O-CB 3.49Å; L134-Q138 PolarHBondContact O-N 3.45Å
135	L	98.6	Very high	98.2	Very high	46 Å²	46	44.7 Å²	44.7	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-45.7	174.6	-71.2	173.6	0	0	0	111.4	D49 I52 R131 I133 V137 Q138 S139	D49-L135 HydrophobicContact CB-CD2 4.47Å; I52-L135 HydrophobicContact CD1-CD2 3.67Å; I52-L135 HydrophobicContact CD1-CG 3.71Å; I52-L135 HydrophobicContact CG1-CD2 4.48Å; R131-L135 HydrophobicContact CG-CD1 4.02Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.78Å; I133-L135 PolarHBondContact O-N 3.26Å; L135-V137 VanDerWaalsContact C-N 3.33Å; L135-V137 PolarHBondContact O-N 2.98Å; L135-Q138 PolarHBondContact O-N 3.1Å; L135-S139 PolarHBondContact O-N 2.78Å; L135-S139 PolarHBondContact O-OG 3.06Å
136	S	98.6	Very high	98	Very high	42 Å²	42	45.2 Å²	45.2	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-37.9	177.8	-65.1	0	0	0	0	112.7	I119 S132 I133 L140	I119-S136 WeakPolarHBondContact CD1-OG 3.5Å; S132-S136 WeakPolarHBondContact O-CB 3.33Å; S132-S136 PolarHBondContact O-N 3.39Å; S132-S136 PolarHBondContact O-OG 2.99Å; S132-S136 VanDerWaalsContact O-OG 3.06Å; I133-S136 PolarHBondContact O-N 3.48Å; S136-L140 WeakPolarHBondContact O-CB 3.41Å; S136-L140 PolarHBondContact O-N 2.96Å
137	V	98.8	Very high	97.8	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-39.3	174.8	176.5	0	0	0	0	111.3	I68 L83 F100 I115 L117 I133 L134 L135 L140 L141	I68-V137 HydrophobicContact CD1-CB 3.67Å; I68-V137 HydrophobicContact CD1-CG1 3.56Å; L83-V137 HydrophobicContact CD2-CG1 3.97Å; F100-V137 HydrophobicContact CE2-CG1 4.13Å; F100-V137 HydrophobicContact CZ-CG1 3.76Å; I115-V137 HydrophobicContact CD1-CG1 4.17Å; I115-V137 HydrophobicContact CD1-CG2 4.1Å; L117-V137 HydrophobicContact CD2-CG2 3.98Å; I133-V137 WeakPolarHBondContact O-CG2 3.45Å; I133-V137 PolarHBondContact O-N 3.31Å; L134-V137 PolarHBondContact O-N 2.93Å; L135-V137 VanDerWaalsContact C-N 3.33Å; L135-V137 PolarHBondContact O-N 2.98Å; V137-L140 WeakPolarHBondContact O-CB 3.36Å; V137-L140 PolarHBondContact O-N 3.37Å; V137-L141 PolarHBondContact O-N 3.03Å
138	Q	98.6	Very high	97.6	Very high	31 Å²	31	47.4 Å²	47.4	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-42.7	174.9	-173.9	-177.9	54.5	0	0	111.7	I52 I68 D69 L134 L135 L141	I52-Q138 HydrophobicContact CG2-CB 4.32Å; I68-Q138 HydrophobicContact CG2-CB 3.72Å; I68-Q138 HydrophobicContact CG2-CG 3.83Å; D69-Q138 PolarHBondContact O-NE2 2.83Å; L134-Q138 WeakPolarHBondContact O-CB 3.49Å; L134-Q138 PolarHBondContact O-N 3.45Å; L135-Q138 PolarHBondContact O-N 3.1Å; Q138-L141 WeakPolarHBondContact O-CB 3.5Å; Q138-L141 PolarHBondContact O-N 3.09Å
139	S	98.3	Very high	97.5	Very high	69 Å²	69	45.6 Å²	45.6	48%	0.483	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-42.9	173.8	-67.3	0	0	0	0	111.7	L135 L141 G142 E143	L135-S139 PolarHBondContact O-N 2.78Å; L135-S139 PolarHBondContact O-OG 3.06Å; S139-L141 PolarHBondContact O-N 3.32Å; S139-G142 PolarHBondContact O-N 3.18Å; S139-E143 PolarHBondContact O-N 3.03Å
140	L	98.4	Very high	97.5	Very high	18 Å²	18	48 Å²	48	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-36.9	178.4	-175.3	67.7	0	0	0	112	H106 N108 I115 L117 S136 V137 G142 E143	H106-L140 PolarHBondContact NE2-O 3Å; N108-L140 HydrophobicContact CB-CD1 4.49Å; N108-L140 HydrophobicContact CB-CD2 4.18Å; I115-L140 HydrophobicContact CG2-CD2 3.72Å; L117-L140 HydrophobicContact CB-CD2 4.35Å; L117-L140 HydrophobicContact CD1-CD2 4.39Å; S136-L140 WeakPolarHBondContact O-CB 3.41Å; S136-L140 PolarHBondContact O-N 2.96Å; V137-L140 WeakPolarHBondContact O-CB 3.36Å; V137-L140 PolarHBondContact O-N 3.37Å; L140-G142 VanDerWaalsContact C-N 3.26Å; L140-G142 PolarHBondContact O-N 3.28Å; L140-E143 CarbonylContact O-C 3.56Å; L140-E143 VanDerWaalsContact O-C 3.31Å; L140-E143 PolarHBondContact O-N 2.93Å
141	L	98.4	Very high	97.4	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-38.8	175.1	-67.2	176.2	0	0	0	112.4	I68 Y76 Y81 F100 V137 Q138 S139	I68-L141 HydrophobicContact CG2-CD1 3.99Å; Y76-L141 HydrophobicContact CD1-CD2 4.2Å; Y76-L141 HydrophobicContact CD2-CB 3.88Å; Y76-L141 WeakPolarHBondContact CD2-O 3.39Å; Y76-L141 HydrophobicContact CE1-CD2 4.09Å; Y76-L141 HydrophobicContact CE2-CB 4.22Å; Y76-L141 WeakPolarHBondContact CE2-O 3.42Å; Y76-L141 HydrophobicContact CG-CB 4.19Å; Y76-L141 HydrophobicContact CG-CD2 4.48Å; Y81-L141 HydrophobicContact CD2-CD1 4.33Å; F100-L141 HydrophobicContact CZ-CD2 4.12Å; V137-L141 PolarHBondContact O-N 3.03Å; Q138-L141 WeakPolarHBondContact O-CB 3.5Å; Q138-L141 PolarHBondContact O-N 3.09Å; S139-L141 PolarHBondContact O-N 3.32Å
142	G	97.4	Very high	97.4	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-85.1	-25.2	178.8	0	0	0	0	0	113.9	S139 L140 W158	S139-G142 PolarHBondContact O-N 3.18Å; L140-G142 VanDerWaalsContact C-N 3.26Å; L140-G142 PolarHBondContact O-N 3.28Å; G142-W158 WeakPolarHBondContact O-CZ2 3.45Å
143	E	97.5	Very high	97.4	Very high	156 Å²	156	50.3 Å²	50.3	73%	0.729	30%	0.298	S	S	*	.	S	Bend	trans	-134.3	71.7	-169.8	-63.3	176.1	-172.6	0	0	110.2	S139 L140	S139-E143 PolarHBondContact O-N 3.03Å; L140-E143 CarbonylContact O-C 3.56Å; L140-E143 VanDerWaalsContact O-C 3.31Å; L140-E143 PolarHBondContact O-N 2.93Å
144	P	97.7	Very high	97.4	Very high	22 Å²	22	50.3 Å²	50.3	14%	0.143	30%	0.298	C	S	.	.			trans	-71.6	157.2	-178.2	29.9	-35	0	0	0	111.9	P107 N108 W158	P107-P144 HydrophobicContact CB-CB 3.98Å; P107-P144 HydrophobicContact CG-CB 3.8Å; P107-P144 HydrophobicContact CG-CG 4.07Å; N108-P144 WeakPolarHBondContact OD1-CA 3.45Å; N108-P144 WeakPolarHBondContact OD1-CB 3.23Å; P144-W158 VanDerWaalsContact CD-CE2 3.45Å; P144-W158 HydrophobicContact CG-CD2 3.59Å; P144-W158 HydrophobicContact CG-CE3 4.09Å; P144-W158 HydrophobicContact CG-CG 4.12Å; P144-W158 HydrophobicContact CG-CH2 3.97Å; P144-W158 HydrophobicContact CG-CZ2 3.47Å; P144-W158 VanDerWaalsContact CG-CZ2 3.47Å; P144-W158 HydrophobicContact CG-CZ3 4.26Å
145	N	95.7	Very high	97.3	Very high	80 Å²	80	51 Å²	51	43%	0.428	30%	0.303	S	S	.	.			trans	-93.5	103.6	166.5	179.7	-7.1	0	0	0	110.2	N108 D147	N108-N145 PolarHBondContact ND2-O 3.14Å; N108-N145 PolarHBondContact OD1-N 3.38Å; N145-D147 WeakPolarHBondContact OD1-CB 3.23Å; N145-D147 PolarHBondContact OD1-N 2.92Å
146	N	94.9	Very high	97.3	Very high	51 Å²	51	56.3 Å²	56.3	27%	0.273	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.2	180	-68.6	-31.3	0	0	0	114.3	P107 S148	P107-N146 VanDerWaalsContact CB-OD1 3.31Å; P107-N146 WeakPolarHBondContact CB-OD1 3.35Å; P107-N146 WeakPolarHBondContact CG-OD1 3.45Å; N146-S148 VanDerWaalsContact C-N 3.29Å; N146-S148 PolarHBondContact O-N 3.44Å
147	D	93.6	Very high	97.3	Very high	149 Å²	149	56.5 Å²	56.5	80%	0.797	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-22.7	179	-64	-28.2	0	0	0	112.4	N145	N145-D147 WeakPolarHBondContact OD1-CB 3.23Å; N145-D147 PolarHBondContact OD1-N 2.92Å
148	S	92.3	Very high	97.2	Very high	81 Å²	81	57.8 Å²	57.8	57%	0.566	33%	0.329	S	S	*	.	S	Bend	trans	-147.9	69.3	180	-67.2	0	0	0	0	111.1	N146	N146-S148 VanDerWaalsContact C-N 3.29Å; N146-S148 PolarHBondContact O-N 3.44Å
149	P	97	Very high	97.1	Very high	40 Å²	40	64.2 Å²	64.2	26%	0.26	36%	0.359	S	S	.	.			trans	-76.2	147.3	-175.3	32.6	-34.9	0	0	0	111.8	P107 T152 A155	P107-P149 HydrophobicContact CB-CB 4.44Å; P107-P149 CarbonylContact O-C 3.48Å; P107-P149 WeakPolarHBondContact O-CA 3.25Å; P107-P149 WeakPolarHBondContact O-CB 3.44Å; P149-T152 HydrophobicContact CG-CG2 4.26Å; P149-A155 HydrophobicContact CB-CB 3.64Å; P149-A155 HydrophobicContact CG-CB 3.86Å
150	L	97.9	Very high	97.1	Very high	77 Å²	77	65.1 Å²	65.1	40%	0.403	36%	0.358	S	S	.	.	S	Bend	trans	-83.3	-28.9	165	-62.4	-173.4	0	0	0	111.4	P107 D110 A114 C116	P107-L150 PolarHBondContact O-N 2.93Å; D110-L150 HydrophobicContact CB-CB 4.26Å; D110-L150 HydrophobicContact CB-CD1 4.16Å; A114-L150 WeakPolarHBondContact O-CD1 3.4Å; C116-L150 HydrophobicContact CB-CD1 3.78Å; C116-L150 HydrophobicContact CB-CD2 4.29Å; C116-L150 HydrophobicContact CB-CG 3.84Å
151	N	98.3	Very high	97.1	Very high	26 Å²	26	67.7 Å²	67.7	14%	0.139	37%	0.37	C	S	.	.			trans	-119.8	100.2	176.8	-176.4	-24.6	0	0	0	109.4	H106 P107 A153 A154 A155	H106-N151 WeakPolarHBondContact O-CB 3.49Å; P107-N151 PolarHBondContact O-N 3Å; N151-A153 PolarHBondContact OD1-N 3.32Å; N151-A154 HydrophobicContact CB-CB 4.05Å; N151-A154 PolarHBondContact O-N 3.42Å; N151-A154 PolarHBondContact OD1-N 3.18Å; N151-A155 PolarHBondContact O-N 3.49Å; N151-A155 VanDerWaalsContact O-N 3.1Å
152	T	98	Very high	97.1	Very high	87 Å²	87	73.2 Å²	73.2	53%	0.534	40%	0.4	S	S	.	.	H	α-helix	trans	-66.9	-35.9	-178	54.7	0	0	0	0	112.3	P149 A154 A155 E156	P149-T152 HydrophobicContact CG-CG2 4.26Å; T152-A154 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 2.97Å; T152-A155 PolarHBondContact O-N 3.4Å; T152-E156 WeakPolarHBondContact O-CB 3.38Å; T152-E156 VanDerWaalsContact O-CG 3.29Å; T152-E156 WeakPolarHBondContact O-CG 3.38Å; T152-E156 PolarHBondContact O-N 3.49Å
153	A	97.7	Very high	97.1	Very high	51 Å²	51	73.6 Å²	73.6	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-40.8	178.3	0	0	0	0	0	111.8	N151 L157	N151-A153 PolarHBondContact OD1-N 3.32Å; A153-L157 WeakPolarHBondContact O-CB 3.42Å; A153-L157 PolarHBondContact O-N 3.04Å; A153-L157 VanDerWaalsContact O-N 3.13Å
154	A	98.3	Very high	97.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.9	-41.9	173.6	0	0	0	0	0	111.6	F105 P107 N151 T152 L157 W158 F164	F105-A154 HydrophobicContact CD1-CB 4.25Å; F105-A154 HydrophobicContact CD2-CB 4.36Å; F105-A154 HydrophobicContact CE1-CB 3.81Å; F105-A154 HydrophobicContact CE2-CB 3.93Å; F105-A154 VanDerWaalsContact CZ-CA 3.48Å; F105-A154 HydrophobicContact CZ-CB 3.64Å; P107-A154 HydrophobicContact CG-CB 4.13Å; N151-A154 HydrophobicContact CB-CB 4.05Å; N151-A154 PolarHBondContact O-N 3.42Å; N151-A154 PolarHBondContact OD1-N 3.18Å; T152-A154 VanDerWaalsContact C-N 3.35Å; T152-A154 PolarHBondContact O-N 2.97Å; A154-L157 PolarHBondContact O-N 3.3Å; A154-W158 PolarHBondContact O-N 3.46Å; A154-W158 VanDerWaalsContact O-N 3.08Å; A154-F164 HydrophobicContact CB-CE2 4.04Å; A154-F164 HydrophobicContact CB-CZ 4.48Å; A154-F164 WeakPolarHBondContact O-CE2 3.44Å
155	A	98.3	Very high	97.2	Very high	14 Å²	14	69.5 Å²	69.5	12%	0.116	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-44.2	178.3	0	0	0	0	0	112.5	P107 P149 N151 T152 L157 W158	P107-A155 HydrophobicContact CB-CB 4.09Å; P107-A155 HydrophobicContact CG-CB 4.5Å; P149-A155 HydrophobicContact CB-CB 3.64Å; P149-A155 HydrophobicContact CG-CB 3.86Å; N151-A155 PolarHBondContact O-N 3.49Å; N151-A155 VanDerWaalsContact O-N 3.1Å; T152-A155 PolarHBondContact O-N 3.4Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 2.88Å; A155-W158 VanDerWaalsContact O-CB 3.28Å; A155-W158 WeakPolarHBondContact O-CB 3.39Å; A155-W158 PolarHBondContact O-N 3.29Å
156	E	97.6	Very high	97.3	Very high	157 Å²	157	68.7 Å²	68.7	73%	0.734	38%	0.38	S	S	*	.	H	α-helix	trans	-63.9	-37.5	177.2	-73.8	169.8	-168.5	0	0	112.1	T152 W158	T152-E156 WeakPolarHBondContact O-CB 3.38Å; T152-E156 VanDerWaalsContact O-CG 3.29Å; T152-E156 WeakPolarHBondContact O-CG 3.38Å; T152-E156 PolarHBondContact O-N 3.49Å; E156-W158 VanDerWaalsContact C-N 3.3Å
157	L	97.9	Very high	97.4	Very high	46 Å²	46	70.2 Å²	70.2	24%	0.241	39%	0.385	C	S	.	.	H	α-helix	trans	-76.6	-18.1	178.9	-170	58.8	0	0	0	112.8	F105 A153 A154 A155 E159 N160 A163 F164 H167	F105-L157 HydrophobicContact CE1-CD2 4.26Å; F105-L157 HydrophobicContact CZ-CD2 4.41Å; A153-L157 WeakPolarHBondContact O-CB 3.42Å; A153-L157 PolarHBondContact O-N 3.04Å; A153-L157 VanDerWaalsContact O-N 3.13Å; A154-L157 PolarHBondContact O-N 3.3Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 2.88Å; L157-E159 VanDerWaalsContact C-N 3.34Å; L157-E159 PolarHBondContact O-N 3.36Å; L157-N160 CarbonylContact O-C 3.58Å; L157-N160 PolarHBondContact O-N 2.95Å; L157-A163 HydrophobicContact CD1-CB 3.79Å; L157-F164 HydrophobicContact CB-CD2 3.99Å; L157-F164 HydrophobicContact CD2-CB 4.39Å; L157-F164 HydrophobicContact CD2-CD2 4.21Å; L157-F164 HydrophobicContact CG-CB 4.07Å; L157-F164 HydrophobicContact CG-CD2 3.98Å; L157-F164 HydrophobicContact CG-CG 4.45Å; L157-H167 HydrophobicContact CD2-CB 3.91Å
158	W	98.2	Very high	97.7	Very high	29 Å²	29	63.2 Å²	63.2	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-38.9	-169.8	-172.6	-104	0	0	0	113.9	V75 Y76 P107 G142 P144 A154 A155 E156 N160 Q161 F164	V75-W158 HydrophobicContact CG2-CH2 4.02Å; V75-W158 HydrophobicContact CG2-CZ3 3.8Å; Y76-W158 HydrophobicContact CE2-CH2 4.13Å; Y76-W158 AromaticContact CE2-CZ3 3.94Å; Y76-W158 HydrophobicContact CE2-CZ3 3.94Å; P107-W158 HydrophobicContact CG-CE3 4.34Å; G142-W158 WeakPolarHBondContact O-CZ2 3.45Å; P144-W158 VanDerWaalsContact CD-CE2 3.45Å; P144-W158 HydrophobicContact CG-CD2 3.59Å; P144-W158 HydrophobicContact CG-CE3 4.09Å; P144-W158 HydrophobicContact CG-CG 4.12Å; P144-W158 HydrophobicContact CG-CH2 3.97Å; P144-W158 HydrophobicContact CG-CZ2 3.47Å; P144-W158 VanDerWaalsContact CG-CZ2 3.47Å; P144-W158 HydrophobicContact CG-CZ3 4.26Å; A154-W158 PolarHBondContact O-N 3.46Å; A154-W158 VanDerWaalsContact O-N 3.08Å; A155-W158 VanDerWaalsContact O-CB 3.28Å; A155-W158 WeakPolarHBondContact O-CB 3.39Å; A155-W158 PolarHBondContact O-N 3.29Å; E156-W158 VanDerWaalsContact C-N 3.3Å; W158-N160 PolarHBondContact O-N 3.39Å; W158-Q161 PolarHBondContact O-NE2 3.43Å; W158-F164 HydrophobicContact CE3-CD1 4.35Å; W158-F164 AromaticContact CE3-CD2 3.86Å; W158-F164 HydrophobicContact CE3-CD2 3.86Å; W158-F164 HydrophobicContact CE3-CE1 4.17Å; W158-F164 AromaticContact CE3-CE2 3.66Å; W158-F164 HydrophobicContact CE3-CE2 3.66Å; W158-F164 HydrophobicContact CE3-CG 4.21Å; W158-F164 AromaticContact CE3-CZ 3.83Å; W158-F164 HydrophobicContact CE3-CZ 3.83Å; W158-F164 HydrophobicContact CZ3-CD1 4.22Å; W158-F164 HydrophobicContact CZ3-CD2 4.5Å; W158-F164 AromaticContact CZ3-CE1 3.89Å; W158-F164 HydrophobicContact CZ3-CE1 3.89Å; W158-F164 HydrophobicContact CZ3-CE2 4.2Å; W158-F164 AromaticContact CZ3-CZ 3.89Å; W158-F164 HydrophobicContact CZ3-CZ 3.89Å
159	E	96.7	Very high	97.9	Very high	165 Å²	165	63.2 Å²	63.2	77%	0.771	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.2	179.3	-67.5	-61.9	143	0	0	112.6	L157	L157-E159 VanDerWaalsContact C-N 3.34Å; L157-E159 PolarHBondContact O-N 3.36Å
160	N	97.9	Very high	97.9	Very high	89 Å²	89	65.5 Å²	65.5	48%	0.476	36%	0.36	S	S	.	.			trans	-100.3	82.5	174.9	-170.8	-22.8	0	0	0	110.6	L157 W158 D162 A163 F164	L157-N160 CarbonylContact O-C 3.58Å; L157-N160 PolarHBondContact O-N 2.95Å; W158-N160 PolarHBondContact O-N 3.39Å; N160-D162 VanDerWaalsContact C-N 3.26Å; N160-D162 PolarHBondContact O-N 3.01Å; N160-D162 PolarHBondContact OD1-N 2.55Å; N160-A163 HydrophobicContact CB-CB 4.06Å; N160-A163 VanDerWaalsContact CG-CB 3.45Å; N160-A163 PolarHBondContact O-N 3.48Å; N160-A163 VanDerWaalsContact O-N 3.16Å; N160-A163 WeakPolarHBondContact OD1-CB 3.25Å; N160-A163 PolarHBondContact OD1-N 3.44Å; N160-F164 WeakPolarHBondContact O-CB 3.26Å; N160-F164 PolarHBondContact O-N 3.36Å
161	Q	97.8	Very high	97.7	Very high	71 Å²	71	65 Å²	65	33%	0.332	36%	0.36	S	S	.	.	H	α-helix	trans	-57.5	-33.8	-176.5	-67.8	-73.6	-68.3	0	0	113.8	V75 W158 R165	V75-Q161 HydrophobicContact CG1-CB 4.23Å; W158-Q161 PolarHBondContact O-NE2 3.43Å; Q161-R165 VanDerWaalsContact O-CB 3.29Å; Q161-R165 WeakPolarHBondContact O-CB 3.39Å; Q161-R165 PolarHBondContact O-N 3.18Å
162	D	98	Very high	97.5	Very high	120 Å²	120	65.7 Å²	65.7	64%	0.642	36%	0.362	S	S	*	.	H	α-helix	trans	-69.5	-46	177.7	-72.5	-31.7	0	0	0	111.5	N160 R165 A166	N160-D162 VanDerWaalsContact C-N 3.26Å; N160-D162 PolarHBondContact O-N 3.01Å; N160-D162 PolarHBondContact OD1-N 2.55Å; D162-R165 PolarHBondContact O-N 3.03Å; D162-A166 WeakPolarHBondContact O-CB 3.47Å; D162-A166 PolarHBondContact O-N 2.8Å
163	A	98.3	Very high	96.7	Very high	35 Å²	35	68.5 Å²	68.5	29%	0.289	37%	0.369	S	S	.	.	H	α-helix	trans	-66.4	-39.3	175.9	0	0	0	0	0	111.6	L157 N160 A166 H167	L157-A163 HydrophobicContact CD1-CB 3.79Å; N160-A163 HydrophobicContact CB-CB 4.06Å; N160-A163 VanDerWaalsContact CG-CB 3.45Å; N160-A163 PolarHBondContact O-N 3.48Å; N160-A163 VanDerWaalsContact O-N 3.16Å; N160-A163 WeakPolarHBondContact OD1-CB 3.25Å; N160-A163 PolarHBondContact OD1-N 3.44Å; A163-A166 PolarHBondContact O-N 2.68Å; A163-H167 WeakPolarHBondContact O-CB 3.36Å; A163-H167 PolarHBondContact O-N 3.16Å
164	F	98.5	Very high	94.9	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-51.4	174.6	-167	-77.3	0	0	0	111	V75 Y76 F105 A154 L157 W158 N160 A166 H167 L168	V75-F164 HydrophobicContact CB-CD1 4Å; V75-F164 HydrophobicContact CG1-CD1 4.34Å; V75-F164 HydrophobicContact CG2-CD1 3.55Å; V75-F164 HydrophobicContact CG2-CE1 3.71Å; Y76-F164 HydrophobicContact CE2-CE1 4.26Å; Y76-F164 AromaticContact CZ-CE1 3.87Å; Y76-F164 WeakPolarHBondContact OH-CE1 3.36Å; Y76-F164 WeakPolarHBondContact OH-CZ 3.34Å; F105-F164 HydrophobicContact CD1-CE1 4.2Å; F105-F164 AromaticContact CD1-CE2 3.98Å; F105-F164 HydrophobicContact CD1-CE2 3.98Å; F105-F164 AromaticContact CD1-CZ 3.65Å; F105-F164 HydrophobicContact CD1-CZ 3.65Å; F105-F164 HydrophobicContact CE1-CD2 4.1Å; F105-F164 HydrophobicContact CE1-CE1 4.43Å; F105-F164 AromaticContact CE1-CE2 3.53Å; F105-F164 HydrophobicContact CE1-CE2 3.53Å; F105-F164 AromaticContact CE1-CZ 3.72Å; F105-F164 HydrophobicContact CE1-CZ 3.72Å; A154-F164 HydrophobicContact CB-CE2 4.04Å; A154-F164 HydrophobicContact CB-CZ 4.48Å; A154-F164 WeakPolarHBondContact O-CE2 3.44Å; L157-F164 HydrophobicContact CB-CD2 3.99Å; L157-F164 HydrophobicContact CD2-CB 4.39Å; L157-F164 HydrophobicContact CD2-CD2 4.21Å; L157-F164 HydrophobicContact CG-CB 4.07Å; L157-F164 HydrophobicContact CG-CD2 3.98Å; L157-F164 HydrophobicContact CG-CG 4.45Å; W158-F164 HydrophobicContact CE3-CD1 4.35Å; W158-F164 AromaticContact CE3-CD2 3.86Å; W158-F164 HydrophobicContact CE3-CD2 3.86Å; W158-F164 HydrophobicContact CE3-CE1 4.17Å; W158-F164 AromaticContact CE3-CE2 3.66Å; W158-F164 HydrophobicContact CE3-CE2 3.66Å; W158-F164 HydrophobicContact CE3-CG 4.21Å; W158-F164 AromaticContact CE3-CZ 3.83Å; W158-F164 HydrophobicContact CE3-CZ 3.83Å; W158-F164 HydrophobicContact CZ3-CD1 4.22Å; W158-F164 HydrophobicContact CZ3-CD2 4.5Å; W158-F164 AromaticContact CZ3-CE1 3.89Å; W158-F164 HydrophobicContact CZ3-CE1 3.89Å; W158-F164 HydrophobicContact CZ3-CE2 4.2Å; W158-F164 AromaticContact CZ3-CZ 3.89Å; W158-F164 HydrophobicContact CZ3-CZ 3.89Å; N160-F164 WeakPolarHBondContact O-CB 3.26Å; N160-F164 PolarHBondContact O-N 3.36Å; F164-A166 PolarHBondContact O-N 3.5Å; F164-H167 PolarHBondContact O-N 3.35Å; F164-L168 HydrophobicContact CD1-CB 4.34Å; F164-L168 HydrophobicContact CD1-CD2 4.47Å; F164-L168 HydrophobicContact CE1-CB 4.29Å; F164-L168 HydrophobicContact CE1-CD2 4.09Å; F164-L168 WeakPolarHBondContact O-CB 3.45Å; F164-L168 PolarHBondContact O-N 2.78Å
165	R	98.4	Very high	94.8	Very high	92 Å²	92	80.4 Å²	80.4	35%	0.347	42%	0.418	S	S	.	.	H	α-helix	trans	-58.3	-47.2	177.5	-178.6	-179.5	-78.7	144.5	-4.3	111.2	T74 V75 Q161 D162 H167 L168 H169	T74-R165 PolarHBondContact O-NH2 2.61Å; V75-R165 HydrophobicContact CB-CB 4.14Å; V75-R165 HydrophobicContact CG1-CB 4.04Å; Q161-R165 VanDerWaalsContact O-CB 3.29Å; Q161-R165 WeakPolarHBondContact O-CB 3.39Å; Q161-R165 PolarHBondContact O-N 3.18Å; D162-R165 PolarHBondContact O-N 3.03Å; R165-H167 PolarHBondContact O-N 2.62Å; R165-L168 PolarHBondContact O-N 2.81Å; R165-H169 WeakPolarHBondContact O-CB 3.47Å; R165-H169 PolarHBondContact O-CD2 2.69Å; R165-H169 PolarHBondContact O-N 2.92Å
166	A	98	Very high	94.6	Very high	63 Å²	63	83.9 Å²	83.9	52%	0.521	43%	0.434	S	S	.	.	H	α-helix	trans	-59.8	-45.5	179.6	0	0	0	0	0	111.8	D162 A163 F164 A170	D162-A166 WeakPolarHBondContact O-CB 3.47Å; D162-A166 PolarHBondContact O-N 2.8Å; A163-A166 PolarHBondContact O-N 2.68Å; F164-A166 PolarHBondContact O-N 3.5Å; A166-A170 VanDerWaalsContact O-CB 3.22Å; A166-A170 WeakPolarHBondContact O-CB 3.35Å; A166-A170 PolarHBondContact O-N 3.12Å; A166-A170 VanDerWaalsContact O-N 3.11Å
167	H	97.8	Very high	94.4	Very high	82 Å²	82	79.8 Å²	79.8	38%	0.38	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-49.2	177	-178	84.4	0	0	0	112	F105 L157 A163 F164 R165 H169 A170 T171	F105-H167 AromaticContact CD1-CD2 3.89Å; F105-H167 AromaticContact CE1-CD2 3.6Å; F105-H167 AromaticContact CE2-NE2 3.87Å; F105-H167 AromaticContact CZ-CD2 3.71Å; F105-H167 AromaticContact CZ-NE2 3.89Å; L157-H167 HydrophobicContact CD2-CB 3.91Å; A163-H167 WeakPolarHBondContact O-CB 3.36Å; A163-H167 PolarHBondContact O-N 3.16Å; F164-H167 PolarHBondContact O-N 3.35Å; R165-H167 PolarHBondContact O-N 2.62Å; H167-H169 PolarHBondContact O-N 3.29Å; H167-A170 PolarHBondContact O-N 3.08Å; H167-T171 WeakPolarHBondContact O-CB 3.22Å; H167-T171 WeakPolarHBondContact O-CG2 3.39Å; H167-T171 PolarHBondContact O-N 3.13Å; H167-T171 PolarHBondContact O-OG1 2.89Å
168	L	97.9	Very high	94.2	Very high	2 Å²	2	81.8 Å²	81.8	1%	0.01	43%	0.428	C	S	.	.	H	α-helix	trans	-57.6	-51.9	-179.1	175.4	67.5	0	0	0	111.1	V75 Y76 L79 F105 F164 R165 A170 T171 F172	V75-L168 HydrophobicContact CG2-CD2 4.37Å; Y76-L168 HydrophobicContact CD1-CD1 4.41Å; Y76-L168 HydrophobicContact CD1-CD2 3.55Å; Y76-L168 HydrophobicContact CE1-CD1 4Å; Y76-L168 HydrophobicContact CE1-CD2 3.64Å; Y76-L168 HydrophobicContact CE1-CG 4.49Å; Y76-L168 HydrophobicContact CG-CD2 4.07Å; L79-L168 HydrophobicContact CD1-CD1 4.16Å; L79-L168 HydrophobicContact CD1-CD2 3.56Å; L79-L168 HydrophobicContact CD1-CG 3.64Å; F105-L168 HydrophobicContact CB-CD1 3.99Å; F105-L168 HydrophobicContact CD1-CD1 4.48Å; F164-L168 HydrophobicContact CD1-CB 4.34Å; F164-L168 HydrophobicContact CD1-CD2 4.47Å; F164-L168 HydrophobicContact CE1-CB 4.29Å; F164-L168 HydrophobicContact CE1-CD2 4.09Å; F164-L168 WeakPolarHBondContact O-CB 3.45Å; F164-L168 PolarHBondContact O-N 2.78Å; R165-L168 PolarHBondContact O-N 2.81Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-A170 PolarHBondContact O-N 3.26Å; L168-T171 PolarHBondContact O-N 3.09Å; L168-T171 PolarHBondContact O-OG1 3.05Å; L168-F172 WeakPolarHBondContact O-CB 3.46Å; L168-F172 PolarHBondContact O-N 3.35Å
169	H	96.9	Very high	94	Very high	82 Å²	82	85.1 Å²	85.1	38%	0.38	45%	0.448	S	S	.	.	H	α-helix	trans	-68.5	-31.5	-178.2	-78.5	-106.6	0	0	0	112.7	V75 E77 R165 H167 T171	V75-H169 PolarHBondContact O-NE2 3.46Å; E77-H169 PolarHBondContact O-CE1 3.16Å; R165-H169 WeakPolarHBondContact O-CB 3.47Å; R165-H169 PolarHBondContact O-CD2 2.69Å; R165-H169 PolarHBondContact O-N 2.92Å; H167-H169 PolarHBondContact O-N 3.29Å; H169-T171 VanDerWaalsContact C-N 3.34Å
170	A	96.7	Very high	93.8	Very high	87 Å²	87	79.8 Å²	79.8	72%	0.719	43%	0.426	S	S	*	.	H	α-helix	trans	-72.2	-27.3	176.2	0	0	0	0	0	113.3	A166 H167 L168	A166-A170 VanDerWaalsContact O-CB 3.22Å; A166-A170 WeakPolarHBondContact O-CB 3.35Å; A166-A170 PolarHBondContact O-N 3.12Å; A166-A170 VanDerWaalsContact O-N 3.11Å; H167-A170 PolarHBondContact O-N 3.08Å; L168-A170 VanDerWaalsContact C-N 3.33Å; L168-A170 PolarHBondContact O-N 3.26Å
171	T	94.4	Very high	93.5	Very high	66 Å²	66	79.1 Å²	79.1	41%	0.405	42%	0.423	S	S	.	.	H	α-helix	trans	-104.2	-11.6	-175.1	56.5	0	0	0	0	113.7	H167 L168 H169 Q173	H167-T171 WeakPolarHBondContact O-CB 3.22Å; H167-T171 WeakPolarHBondContact O-CG2 3.39Å; H167-T171 PolarHBondContact O-N 3.13Å; H167-T171 PolarHBondContact O-OG1 2.89Å; L168-T171 PolarHBondContact O-N 3.09Å; L168-T171 PolarHBondContact O-OG1 3.05Å; H169-T171 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 3.01Å
172	F	94.3	Very high	93.1	Very high	41 Å²	41	79.8 Å²	79.8	18%	0.18	43%	0.43	C	S	.	.			trans	-63.5	126.5	179.5	-172.8	-99.7	0	0	0	111.7	L79 R80 Y81 T102 L168 Q174	L79-F172 HydrophobicContact CB-CE2 4.35Å; L79-F172 HydrophobicContact CB-CZ 4.39Å; L79-F172 HydrophobicContact CD1-CD2 4.12Å; L79-F172 HydrophobicContact CD1-CG 4.32Å; L79-F172 HydrophobicContact CD2-CB 4.45Å; L79-F172 HydrophobicContact CD2-CD1 3.9Å; L79-F172 HydrophobicContact CD2-CD2 4.43Å; L79-F172 HydrophobicContact CD2-CE1 4.24Å; L79-F172 HydrophobicContact CD2-CG 4Å; R80-F172 WeakPolarHBondContact O-CZ 3.08Å; Y81-F172 HydrophobicContact CD1-CE2 4.11Å; Y81-F172 HydrophobicContact CE1-CD2 4.13Å; Y81-F172 AromaticContact CE1-CE2 3.49Å; Y81-F172 HydrophobicContact CE1-CE2 3.49Å; Y81-F172 VanDerWaalsContact CE1-CE2 3.49Å; Y81-F172 HydrophobicContact CE2-CE2 4.32Å; Y81-F172 AromaticContact CZ-CE2 3.6Å; T102-F172 HydrophobicContact CG2-CE2 3.81Å; T102-F172 HydrophobicContact CG2-CZ 3.91Å; L168-F172 WeakPolarHBondContact O-CB 3.46Å; L168-F172 PolarHBondContact O-N 3.35Å; F172-Q174 HydrophobicContact CD1-CG 4.47Å; F172-Q174 HydrophobicContact CE1-CG 3.84Å
173	Q	80.3	Confident	92.7	Very high	147 Å²	147	76.4 Å²	76.4	69%	0.687	41%	0.412	S	S	*	.			trans	-117.4	128.2	177.8	-64.4	176.1	7	0	0	109	T171	T171-Q173 PolarHBondContact O-N 3.01Å
174	Q	61.5	Low	92.2	Very high	220 Å²	220	80.2 Å²	80.2	100%	1.028	42%	0.423	S	S	*	.			trans	-78	0	177.8	-79.3	-175.6	10.2	0	0	112.7	F172	F172-Q174 HydrophobicContact CD1-CG 4.47Å; F172-Q174 HydrophobicContact CE1-CG 3.84Å

Retrieved 174 of 174 residues in 352.9 ms (Link to these results)

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