A0A060VQA2_ONCMY Loading...

Serine/threonine-protein kinase

Proto-oncogene with serine/threonine kinase activity involved in cell survival and cell proliferation.

AlphaFold DB , UniProt , Accession A0A060VQA2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490155, Length 327 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	34.1	Very low	31.6	Very low	233 Å²	233	149.1 Å²	149.1	100%	1.148	80%	0.798	S	S	*	*				0	120	0	-86.8	179.8	-171.3	0	0	107.6
2	L	30.6	Very low	32	Very low	146 Å²	146	149.8 Å²	149.8	76%	0.764	80%	0.799	S	S	*	*			trans	57.2	102.2	158.8	-68.4	123.4	0	0	0	117.9
3	L	28	Very low	31.9	Very low	151 Å²	151	148 Å²	148	79%	0.791	80%	0.803	S	S	*	*				72	125.5	85	-73	163.2	0	0	0	110.5
4	S	31.2	Very low	32	Very low	102 Å²	102	150.9 Å²	150.9	71%	0.713	81%	0.808	S	S	*	*			cis	-172.6	133.9	40.6	43.4	0	0	0	0	109.9
5	K	31.6	Very low	32.7	Very low	169 Å²	169	148.2 Å²	148.2	74%	0.735	80%	0.802	S	S	*	*				43	127.9	104.7	-61.3	-173.5	174.4	-179.1	0	114.4
6	F	33.3	Very low	33	Very low	198 Å²	198	145.9 Å²	145.9	87%	0.868	80%	0.801	S	S	*	*			cis	-160.3	163.3	44.3	-81.6	-96.6	0	0	0	107.9
7	G	30.3	Very low	33.2	Very low	76 Å²	76	144.4 Å²	144.4	78%	0.784	80%	0.803	S	S	*	*			cis	-170.5	161.2	11.2	0	0	0	0	0	111
8	S	32.8	Very low	33.5	Very low	91 Å²	91	145.5 Å²	145.5	64%	0.636	80%	0.804	S	S	*	*			trans	-88.6	146.8	178.9	173.6	0	0	0	0	110.6
9	F	31.5	Very low	33.7	Very low	191 Å²	191	145.9 Å²	145.9	84%	0.838	81%	0.805	S	S	*	*				177.7	137.7	107.8	-94.7	-73	0	0	0	112.7
10	S	30.3	Very low	34.1	Very low	82 Å²	82	147.5 Å²	147.5	57%	0.573	81%	0.805	S	S	*	*			trans	-57	143.7	173.7	48.5	0	0	0	0	115.5
11	H	33.8	Very low	34.4	Very low	201 Å²	201	147.5 Å²	147.5	93%	0.931	80%	0.804	S	S	*	*			trans	-136.7	130.7	138.8	-86.4	-68.3	0	0	0	111.1
12	I	36.1	Very low	34.9	Very low	158 Å²	158	141.8 Å²	141.8	81%	0.81	78%	0.784	S	S	*	*			trans	-74.5	134.9	178.4	-66.9	159.8	0	0	0	109.1
13	C	31	Very low	35.4	Very low	126 Å²	126	140.9 Å²	140.9	85%	0.851	78%	0.784	S	S	*	*			trans	-172.3	110.4	144.4	-102.2	0	0	0	0	110.4
14	H	33.8	Very low	36.2	Very low	188 Å²	188	142.6 Å²	142.6	87%	0.87	79%	0.785	S	S	*	*			trans	-89.7	164.2	149.2	-91.5	-55.1	0	0	0	107.7
15	P	43	Very low	36.8	Very low	111 Å²	111	144.4 Å²	144.4	72%	0.721	79%	0.786	S	S	*	*			cis	-140.2	-177.5	18.9	33.3	-9.9	0	0	0	115.9
16	S	37.1	Very low	37.5	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	79%	0.787	S	S	*	*			trans	80.3	89.5	160	71.4	0	0	0	0	118.4
17	S	36.3	Very low	38.1	Very low	121 Å²	121	142.3 Å²	142.3	85%	0.846	79%	0.785	S	S	*	*			trans	-96	111.9	157.4	56.9	0	0	0	0	109
18	M	37.7	Very low	38.7	Very low	164 Å²	164	146.3 Å²	146.3	81%	0.808	78%	0.784	S	S	*	*			trans	-58.5	137.6	170.5	-71.9	175.7	157.7	0	0	111.3	H20	M18-H20 PolarHBondContact O-N 3.16Å; M18-H20 VanDerWaalsContact O-N 3.16Å
19	D	37	Very low	39.4	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	79%	0.791	S	S	*	*			trans	-60.6	108.9	165.4	-73.2	-44.9	0	0	0	110	L21	D19-L21 PolarHBondContact O-N 3.16Å
20	H	43.2	Very low	40	Very low	177 Å²	177	144.8 Å²	144.8	82%	0.819	79%	0.788	S	S	*	*			trans	-83.2	88	165.6	-76.7	-68.5	0	0	0	109.5	M18	M18-H20 PolarHBondContact O-N 3.16Å; M18-H20 VanDerWaalsContact O-N 3.16Å
21	L	40.3	Very low	41	Very low	147 Å²	147	150 Å²	150	77%	0.77	80%	0.8	S	S	*	*			trans	-72.2	130.7	161.1	-92.1	134.1	0	0	0	109.4	D19 V23	D19-L21 PolarHBondContact O-N 3.16Å; L21-V23 PolarHBondContact O-N 3.21Å; L21-V23 VanDerWaalsContact O-N 3.16Å
22	P	44.1	Very low	42	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	79%	0.794	S	S	*	*			trans	-70.2	113.9	173.5	27.2	-30.1	0	0	0	109	K24	P22-K24 PolarHBondContact O-N 2.98Å
23	V	40.6	Very low	43.6	Very low	127 Å²	127	147.6 Å²	147.6	77%	0.77	80%	0.795	S	S	*	*			trans	-65.5	101.5	170.4	178.5	0	0	0	0	107.8	L21 I25	L21-V23 PolarHBondContact O-N 3.21Å; L21-V23 VanDerWaalsContact O-N 3.16Å; V23-I25 HydrophobicContact CG1-CG1 4.35Å; V23-I25 PolarHBondContact O-N 2.9Å
24	K	46.1	Very low	46.1	Very low	186 Å²	186	146.4 Å²	146.4	81%	0.809	78%	0.775	S	S	*	*			trans	-66.2	101.7	162.6	-81.1	-178.6	176	178.1	0	107.3	P22 Q26	P22-K24 PolarHBondContact O-N 2.98Å; K24-Q26 VanDerWaalsContact C-N 3.28Å; K24-Q26 PolarHBondContact O-N 3.05Å
25	I	43.5	Very low	48.9	Very low	141 Å²	141	143.6 Å²	143.6	72%	0.723	76%	0.762	S	S	*	*			trans	-66.2	95.2	166.2	-58.3	176.1	0	0	0	106.3	V23 L27	V23-I25 HydrophobicContact CG1-CG1 4.35Å; V23-I25 PolarHBondContact O-N 2.9Å; I25-L27 VanDerWaalsContact C-N 3.34Å; I25-L27 HydrophobicContact CG2-CG 4.28Å; I25-L27 PolarHBondContact O-N 3.1Å; I25-L27 VanDerWaalsContact O-N 3.1Å
26	Q	44.7	Very low	51.4	Low	164 Å²	164	141.4 Å²	141.4	77%	0.766	75%	0.748	S	S	*	*			trans	-72.9	95	164.9	-79.5	176	-2.9	0	0	106.9	K24 Q28	K24-Q26 VanDerWaalsContact C-N 3.28Å; K24-Q26 PolarHBondContact O-N 3.05Å; Q26-Q28 VanDerWaalsContact C-N 3.3Å; Q26-Q28 PolarHBondContact O-N 2.94Å
27	L	47.8	Very low	54.2	Low	158 Å²	158	136.9 Å²	136.9	83%	0.827	72%	0.715	S	S	*	*			trans	-62.6	98.8	161.4	-74.4	162.7	0	0	0	106.6	I25	I25-L27 VanDerWaalsContact C-N 3.34Å; I25-L27 HydrophobicContact CG2-CG 4.28Å; I25-L27 PolarHBondContact O-N 3.1Å; I25-L27 VanDerWaalsContact O-N 3.1Å
28	Q	42.3	Very low	57.1	Low	161 Å²	161	137 Å²	137	75%	0.752	70%	0.702	S	S	*	*			trans	-60.3	135.4	166	-68	-172.7	2	0	0	107.3	Q26 V30	Q26-Q28 VanDerWaalsContact C-N 3.3Å; Q26-Q28 PolarHBondContact O-N 2.94Å; Q28-V30 PolarHBondContact O-N 2.91Å
29	P	47.7	Very low	59.9	Low	121 Å²	121	136.3 Å²	136.3	79%	0.786	70%	0.695	S	S	*	*			trans	-59.2	116.6	172.8	-13.2	25.3	0	0	0	107.3	K31	P29-K31 VanDerWaalsContact C-N 3.35Å; P29-K31 PolarHBondContact O-N 2.96Å
30	V	43.1	Very low	62.8	Low	129 Å²	129	130.2 Å²	130.2	78%	0.782	66%	0.663	S	S	*	*			trans	-62	103.8	168.4	178.3	0	0	0	0	105.6	Q28 V32	Q28-V30 PolarHBondContact O-N 2.91Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.01Å
31	K	51.4	Low	65.5	Low	190 Å²	190	122.3 Å²	122.3	83%	0.826	63%	0.626	S	S	*	*			trans	-63.3	102.1	165	-90.7	-175.6	174.1	-177.3	0	105.6	P29 E33	P29-K31 VanDerWaalsContact C-N 3.35Å; P29-K31 PolarHBondContact O-N 2.96Å; K31-E33 VanDerWaalsContact C-N 3.32Å; K31-E33 PolarHBondContact O-N 3.47Å
32	V	55.2	Low	68.2	Low	130 Å²	130	118.4 Å²	118.4	79%	0.788	61%	0.608	S	S	*	*			trans	-65	102.4	164.7	-179	0	0	0	0	105.3	V30 K34	V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.01Å; V32-K34 PolarHBondContact O-N 2.89Å
33	E	69.4	Low	70.8	Confident	180 Å²	180	116.7 Å²	116.7	84%	0.841	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-62.9	123.7	173.3	-75.2	-172.5	166.6	0	0	108	K31	K31-E33 VanDerWaalsContact C-N 3.32Å; K31-E33 PolarHBondContact O-N 3.47Å
34	K	84.1	Confident	73.5	Confident	100 Å²	100	112.7 Å²	112.7	44%	0.435	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-68.5	138.5	177.1	-164.6	179.3	-174.4	176.7	0	109	V32 D110 W111 Y112	V32-K34 PolarHBondContact O-N 2.89Å; K34-D110 VanDerWaalsContact CE-CG 3.49Å; K34-D110 VanDerWaalsContact CE-OD1 3.24Å; K34-D110 WeakPolarHBondContact CE-OD1 3.4Å; K34-D110 WeakPolarHBondContact CE-OD2 3.44Å; K34-D110 IonicContact NZ-OD1 2.8Å; K34-D110 PolarHBondContact NZ-OD1 3.32Å; K34-D110 IonicContact NZ-OD2 3.69Å; K34-D110 PolarHBondContact NZ-OD2 3.45Å; K34-D110 VanDerWaalsContact NZ-OD2 3.15Å; K34-W111 PolarHBondContact NZ-O 3.41Å; K34-Y112 HydrophobicContact CD-CE1 4.09Å; K34-Y112 HydrophobicContact CG-CE1 4.43Å
35	E	91.9	Very high	75.9	Confident	129 Å²	129	107.8 Å²	107.8	60%	0.603	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.9	175.9	-68.8	-169.7	164	0	0	110.8	V40 Y112	E35-V40 HydrophobicContact CB-CG2 3.78Å; E35-Y112 WeakPolarHBondContact O-CE1 3.46Å
36	P	95	Very high	78.5	Confident	65 Å²	65	104.9 Å²	104.9	42%	0.422	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-53.7	143.1	176.6	-26.2	32.9	0	0	0	112.5	E38 K39	P36-E38 VanDerWaalsContact C-N 3.26Å; P36-E38 PolarHBondContact O-N 2.97Å; P36-K39 HydrophobicContact CB-CG 4.41Å; P36-K39 HydrophobicContact CG-CD 4.36Å; P36-K39 WeakPolarHBondContact O-CB 3.28Å; P36-K39 PolarHBondContact O-N 2.9Å
37	F	96.9	Very high	80.8	Confident	16 Å²	16	101.6 Å²	101.6	7%	0.07	55%	0.545	C	S	.	.	H	α-helix	trans	-51.1	-44.4	-177	171	-96.4	0	0	0	112.6	K39 V40 Y41 V43 V69 Y112 L119 V121	F37-K39 PolarHBondContact O-N 2.91Å; F37-K39 VanDerWaalsContact O-N 3.17Å; F37-V40 PolarHBondContact O-N 3.17Å; F37-Y41 AromaticContact CD2-CD2 3.73Å; F37-Y41 HydrophobicContact CD2-CD2 3.73Å; F37-Y41 HydrophobicContact CD2-CG 4.35Å; F37-Y41 AromaticContact CE2-CD2 3.74Å; F37-Y41 HydrophobicContact CE2-CD2 3.74Å; F37-Y41 AromaticContact CE2-CG 3.95Å; F37-Y41 HydrophobicContact CE2-CG 3.95Å; F37-Y41 PolarHBondContact O-N 3.28Å; F37-V43 HydrophobicContact CE1-CG2 3.56Å; F37-V43 HydrophobicContact CZ-CG2 3.6Å; F37-V69 HydrophobicContact CE2-CG1 4.12Å; F37-V69 HydrophobicContact CE2-CG2 4.34Å; F37-V69 HydrophobicContact CZ-CG1 3.97Å; F37-V69 HydrophobicContact CZ-CG2 4.16Å; F37-Y112 HydrophobicContact CB-CD1 3.85Å; F37-Y112 HydrophobicContact CB-CD2 4.23Å; F37-Y112 HydrophobicContact CB-CE1 3.95Å; F37-Y112 HydrophobicContact CB-CE2 4.35Å; F37-Y112 HydrophobicContact CB-CG 3.98Å; F37-Y112 AromaticContact CD2-CD2 3.65Å; F37-Y112 HydrophobicContact CD2-CD2 3.65Å; F37-Y112 AromaticContact CD2-CE2 3.7Å; F37-Y112 HydrophobicContact CD2-CE2 3.7Å; F37-Y112 HydrophobicContact CD2-CG 4.22Å; F37-Y112 HydrophobicContact CG-CD2 4.39Å; F37-L119 HydrophobicContact CB-CD1 4.45Å; F37-L119 HydrophobicContact CD1-CD1 3.79Å; F37-L119 HydrophobicContact CD2-CD1 3.76Å; F37-L119 HydrophobicContact CE1-CD1 3.91Å; F37-L119 HydrophobicContact CE2-CD1 3.87Å; F37-L119 HydrophobicContact CG-CD1 3.72Å; F37-L119 HydrophobicContact CZ-CD1 3.95Å; F37-V121 HydrophobicContact CD2-CG2 4.48Å; F37-V121 HydrophobicContact CE2-CG2 4.01Å
38	E	96.6	Very high	83	Confident	125 Å²	125	95.5 Å²	95.5	58%	0.584	52%	0.52	S	S	*	.	H	α-helix	trans	-68.6	-14.2	-176.6	-56.2	78	-171.6	0	0	113.4	P36	P36-E38 VanDerWaalsContact C-N 3.26Å; P36-E38 PolarHBondContact O-N 2.97Å
39	K	97.3	Very high	85.3	Confident	149 Å²	149	92.3 Å²	92.3	65%	0.648	52%	0.516	S	S	*	.	H	α-helix	trans	-90	-13.1	172.7	-64.8	-168.3	-177.7	177.3	0	113.2	P36 F37 L61	P36-K39 HydrophobicContact CB-CG 4.41Å; P36-K39 HydrophobicContact CG-CD 4.36Å; P36-K39 WeakPolarHBondContact O-CB 3.28Å; P36-K39 PolarHBondContact O-N 2.9Å; F37-K39 PolarHBondContact O-N 2.91Å; F37-K39 VanDerWaalsContact O-N 3.17Å; K39-L61 WeakPolarHBondContact O-CD1 3.08Å
40	V	98.2	Very high	87.2	Confident	26 Å²	26	88.6 Å²	88.6	16%	0.158	50%	0.5	C	S	.	.	H	α-helix	trans	-111.8	-33.7	-176	-171.6	0	0	0	0	111.7	E35 F37 R60 L61	E35-V40 HydrophobicContact CB-CG2 3.78Å; F37-V40 PolarHBondContact O-N 3.17Å; V40-R60 HydrophobicContact CG1-CG 4.48Å; V40-L61 WeakPolarHBondContact O-CB 3.46Å; V40-L61 PolarHBondContact O-N 3.34Å
41	Y	98.5	Very high	89	Confident	11 Å²	11	85.3 Å²	85.3	4%	0.043	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.6	-174.6	-57.4	-81.6	0	0	0	112.4	F37 S59 R60 V67 D110 Y112 V121	F37-Y41 AromaticContact CD2-CD2 3.73Å; F37-Y41 HydrophobicContact CD2-CD2 3.73Å; F37-Y41 HydrophobicContact CD2-CG 4.35Å; F37-Y41 AromaticContact CE2-CD2 3.74Å; F37-Y41 HydrophobicContact CE2-CD2 3.74Å; F37-Y41 AromaticContact CE2-CG 3.95Å; F37-Y41 HydrophobicContact CE2-CG 3.95Å; F37-Y41 PolarHBondContact O-N 3.28Å; Y41-S59 WeakPolarHBondContact CA-O 3.43Å; Y41-R60 HydrophobicContact CD1-CB 3.84Å; Y41-R60 HydrophobicContact CD1-CG 4.08Å; Y41-R60 HydrophobicContact CE1-CB 3.72Å; Y41-R60 HydrophobicContact CE1-CG 3.71Å; Y41-V67 HydrophobicContact CD1-CG1 4.37Å; Y41-V67 HydrophobicContact CD1-CG2 4.01Å; Y41-V67 HydrophobicContact CE1-CG1 4.13Å; Y41-D110 HydrophobicContact CE2-CB 4.47Å; Y41-Y112 HydrophobicContact CD2-CE2 4.16Å; Y41-Y112 AromaticContact CE2-CE2 3.84Å; Y41-Y112 HydrophobicContact CE2-CE2 3.84Å; Y41-V121 HydrophobicContact CD1-CG1 4.15Å; Y41-V121 HydrophobicContact CD2-CG2 4.49Å; Y41-V121 HydrophobicContact CE1-CG1 3.72Å; Y41-V121 HydrophobicContact CE2-CG1 4.38Å; Y41-V121 HydrophobicContact CE2-CG2 4.31Å
42	T	98.1	Very high	90.5	Very high	65 Å²	65	79.4 Å²	79.4	40%	0.399	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.3	165.2	56.3	0	0	0	0	110.1	G58 S59 L61	T42-G58 CarbonylContact O-C 3.45Å; T42-G58 WeakPolarHBondContact O-CA 3.18Å; T42-S59 PolarHBondContact N-O 2.84Å; T42-S59 PolarHBondContact O-N 3.22Å; T42-S59 VanDerWaalsContact O-N 3.13Å; T42-S59 PolarHBondContact OG1-O 2.83Å; T42-L61 HydrophobicContact CG2-CD1 4.49Å; T42-L61 HydrophobicContact CG2-CD2 3.58Å; T42-L61 HydrophobicContact CG2-CG 4.14Å
43	V	97.9	Very high	92.3	Very high	77 Å²	77	73.4 Å²	73.4	47%	0.467	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.1	177.4	-179.9	0	0	0	0	108.9	F37 Y56	F37-V43 HydrophobicContact CE1-CG2 3.56Å; F37-V43 HydrophobicContact CZ-CG2 3.6Å; V43-Y56 HydrophobicContact CG1-CD1 3.92Å; V43-Y56 HydrophobicContact CG1-CG 3.84Å
44	G	97.2	Very high	93.6	Very high	43 Å²	43	66.4 Å²	66.4	44%	0.443	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-146.5	178	0	0	0	0	0	112.4	A57	G44-A57 WeakPolarHBondContact CA-O 3.15Å; G44-A57 PolarHBondContact N-O 3.23Å
45	S	97.1	Very high	94.3	Very high	83 Å²	83	63.3 Å²	63.3	58%	0.58	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	158	-178.6	56	0	0	0	0	112.8	Y56 A57	S45-Y56 CarbonylContact O-C 3.5Å; S45-Y56 WeakPolarHBondContact O-CA 3.15Å; S45-A57 PolarHBondContact O-N 3.11Å
46	V	97.6	Very high	94.6	Very high	80 Å²	80	60.4 Å²	60.4	49%	0.485	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	133.2	168.6	177.7	0	0	0	0	109.2	T54 Y56	V46-T54 HydrophobicContact CG1-CG2 3.93Å; V46-T54 HydrophobicContact CG2-CG2 4.19Å; V46-Y56 HydrophobicContact CG2-CD1 3.78Å; V46-Y56 HydrophobicContact CG2-CE1 3.51Å
47	L	94.4	Very high	94.7	Very high	95 Å²	95	57.8 Å²	57.8	50%	0.497	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-36.9	171.5	-65.7	173.3	0	0	0	111.2	V55 A57	L47-V55 HydrophobicContact CB-CG1 4.45Å; L47-V55 HydrophobicContact CD1-CG1 4.33Å; L47-V55 PolarHBondContact N-O 2.9Å; L47-A57 HydrophobicContact CD1-CB 4.1Å; L47-A57 HydrophobicContact CD2-CB 4.08Å; L47-A57 HydrophobicContact CG-CB 4.04Å
48	G	92.8	Very high	94.8	Very high	31 Å²	31	57.2 Å²	57.2	32%	0.32	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	161.4	178.6	0	0	0	0	0	112	V55	G48-V55 PolarHBondContact N-O 2.91Å; G48-V55 PolarHBondContact O-N 2.88Å
49	S	91.5	Very high	94.9	Very high	94 Å²	94	52.8 Å²	52.8	66%	0.657	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	140.5	177.7	62.4	0	0	0	0	111	G53	S49-G53 WeakPolarHBondContact CA-O 3.38Å
50	G	86.1	Confident	94.9	Very high	43 Å²	43	49 Å²	49	44%	0.443	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-158.7	179.9	0	0	0	0	0	113.4	F52 G53 R76	G50-F52 PolarHBondContact O-N 3.35Å; G50-G53 PolarHBondContact N-O 3.19Å; G50-G53 PolarHBondContact O-N 3.43Å; G50-R76 PolarHBondContact O-NH1 2.93Å
51	G	82.1	Confident	94.9	Very high	60 Å²	60	51.8 Å²	51.8	62%	0.619	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.7	178.7	0	0	0	0	0	112.8	G53	G51-G53 VanDerWaalsContact C-N 3.29Å; G51-G53 PolarHBondContact O-N 3.29Å
52	F	83.3	Confident	94.9	Very high	65 Å²	65	55.9 Å²	55.9	29%	0.285	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.6	-176.9	-50.5	-67.8	0	0	0	114.6	G50 K70 S191	G50-F52 PolarHBondContact O-N 3.35Å; F52-K70 WeakPolarHBondContact O-CE 3.47Å; F52-S191 WeakPolarHBondContact CE1-OG 3.44Å; F52-S191 WeakPolarHBondContact CZ-OG 3.47Å
53	G	92.8	Very high	94.8	Very high	4 Å²	4	56.8 Å²	56.8	4%	0.041	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-161.5	177.9	0	0	0	0	0	113.5	S49 G50 G51 H71	S49-G53 WeakPolarHBondContact CA-O 3.38Å; G50-G53 PolarHBondContact N-O 3.19Å; G50-G53 PolarHBondContact O-N 3.43Å; G51-G53 VanDerWaalsContact C-N 3.29Å; G51-G53 PolarHBondContact O-N 3.29Å; G53-H71 VanDerWaalsContact CA-O 3.28Å; G53-H71 WeakPolarHBondContact CA-O 2.98Å
54	T	97.1	Very high	94.8	Very high	33 Å²	33	58.9 Å²	58.9	20%	0.202	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.1	-179	-54.3	0	0	0	0	109.7	V46 Y56 K70 H71	V46-T54 HydrophobicContact CG1-CG2 3.93Å; V46-T54 HydrophobicContact CG2-CG2 4.19Å; T54-Y56 HydrophobicContact CG2-CD2 4.21Å; T54-Y56 HydrophobicContact CG2-CE1 4.14Å; T54-Y56 HydrophobicContact CG2-CE2 3.53Å; T54-Y56 VanDerWaalsContact CG2-CZ 3.47Å; T54-K70 CarbonylContact O-C 3.58Å; T54-K70 WeakPolarHBondContact O-CA 3.38Å; T54-H71 PolarHBondContact N-O 3.42Å; T54-H71 PolarHBondContact O-N 2.92Å
55	V	97.8	Very high	94.8	Very high	36 Å²	36	58.3 Å²	58.3	22%	0.218	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.7	178.3	-171.7	0	0	0	0	109.1	L47 G48 A68 V69 K70	L47-V55 HydrophobicContact CB-CG1 4.45Å; L47-V55 HydrophobicContact CD1-CG1 4.33Å; L47-V55 PolarHBondContact N-O 2.9Å; G48-V55 PolarHBondContact N-O 2.91Å; G48-V55 PolarHBondContact O-N 2.88Å; V55-A68 HydrophobicContact CG1-CB 4.02Å; V55-V69 WeakPolarHBondContact CA-O 3.14Å; V55-K70 HydrophobicContact CG2-CB 4.07Å; V55-K70 HydrophobicContact CG2-CD 4.32Å; V55-K70 HydrophobicContact CG2-CG 4Å
56	Y	98.2	Very high	94.9	Very high	67 Å²	67	57 Å²	57	26%	0.263	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.7	177.5	-57.5	-98.1	0	0	0	110.1	V43 S45 V46 T54 A68 V69 H71	V43-Y56 HydrophobicContact CG1-CD1 3.92Å; V43-Y56 HydrophobicContact CG1-CG 3.84Å; S45-Y56 CarbonylContact O-C 3.5Å; S45-Y56 WeakPolarHBondContact O-CA 3.15Å; V46-Y56 HydrophobicContact CG2-CD1 3.78Å; V46-Y56 HydrophobicContact CG2-CE1 3.51Å; T54-Y56 HydrophobicContact CG2-CD2 4.21Å; T54-Y56 HydrophobicContact CG2-CE1 4.14Å; T54-Y56 HydrophobicContact CG2-CE2 3.53Å; T54-Y56 VanDerWaalsContact CG2-CZ 3.47Å; Y56-A68 CarbonylContact O-C 3.57Å; Y56-A68 WeakPolarHBondContact O-CA 3.44Å; Y56-V69 WeakPolarHBondContact CD2-O 3.14Å; Y56-V69 PolarHBondContact N-O 2.86Å; Y56-V69 PolarHBondContact O-N 2.92Å; Y56-H71 HydrophobicContact CE2-CB 4.16Å
57	A	97.9	Very high	94.9	Very high	11 Å²	11	53.2 Å²	53.2	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	152	160.9	0	0	0	0	0	108.8	G44 S45 L47	G44-A57 WeakPolarHBondContact CA-O 3.15Å; G44-A57 PolarHBondContact N-O 3.23Å; S45-A57 PolarHBondContact O-N 3.11Å; L47-A57 HydrophobicContact CD1-CB 4.1Å; L47-A57 HydrophobicContact CD2-CB 4.08Å; L47-A57 HydrophobicContact CG-CB 4.04Å
58	G	98.1	Very high	95.1	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	177	169.7	0	0	0	0	0	111.7	T42 V67	T42-G58 CarbonylContact O-C 3.45Å; T42-G58 WeakPolarHBondContact O-CA 3.18Å; G58-V67 VanDerWaalsContact C-CG2 3.45Å; G58-V67 PolarHBondContact N-O 3.05Å; G58-V67 PolarHBondContact O-N 3.32Å
59	S	98.3	Very high	95.4	Very high	33 Å²	33	47.8 Å²	47.8	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.5	173.5	-61.1	0	0	0	0	110.3	Y41 T42 A65	Y41-S59 WeakPolarHBondContact CA-O 3.43Å; T42-S59 PolarHBondContact N-O 2.84Å; T42-S59 PolarHBondContact O-N 3.22Å; T42-S59 VanDerWaalsContact O-N 3.13Å; T42-S59 PolarHBondContact OG1-O 2.83Å; S59-A65 CarbonylContact C-O 3.57Å; S59-A65 WeakPolarHBondContact CA-O 3.37Å
60	R	98.4	Very high	95.7	Very high	68 Å²	68	43.6 Å²	43.6	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128	171.9	-174.4	169.5	58.4	-163.6	0.9	109.9	V40 Y41 S62 D63 D64 A65	V40-R60 HydrophobicContact CG1-CG 4.48Å; Y41-R60 HydrophobicContact CD1-CB 3.84Å; Y41-R60 HydrophobicContact CD1-CG 4.08Å; Y41-R60 HydrophobicContact CE1-CB 3.72Å; Y41-R60 HydrophobicContact CE1-CG 3.71Å; R60-S62 VanDerWaalsContact C-N 3.28Å; R60-S62 WeakPolarHBondContact CG-OG 3.32Å; R60-S62 PolarHBondContact NE-OG 3.3Å; R60-S62 PolarHBondContact O-N 3.12Å; R60-D63 IonicContact CZ-OD1 2.6Å; R60-D63 IonicContact CZ-OD2 2.63Å; R60-D63 IonicContact NE-OD1 3.54Å; R60-D63 PolarHBondContact NE-OD1 2.98Å; R60-D63 IonicContact NE-OD2 3.9Å; R60-D63 IonicContact NH2-OD1 3.15Å; R60-D63 PolarHBondContact NH2-OD1 3.21Å; R60-D63 IonicContact NH2-OD2 3.68Å; R60-D63 PolarHBondContact NH2-OD2 2.82Å; R60-D64 WeakPolarHBondContact O-CA 3.41Å; R60-D64 PolarHBondContact O-N 3.31Å; R60-A65 HydrophobicContact CB-CB 4.37Å; R60-A65 PolarHBondContact N-O 3.02Å
61	L	98	Very high	96.3	Very high	85 Å²	85	42.9 Å²	42.9	45%	0.445	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.7	-171.9	-73.7	173	0	0	0	114.4	K39 V40 T42	K39-L61 WeakPolarHBondContact O-CD1 3.08Å; V40-L61 WeakPolarHBondContact O-CB 3.46Å; V40-L61 PolarHBondContact O-N 3.34Å; T42-L61 HydrophobicContact CG2-CD1 4.49Å; T42-L61 HydrophobicContact CG2-CD2 3.58Å; T42-L61 HydrophobicContact CG2-CG 4.14Å
62	S	97.7	Very high	97	Very high	97 Å²	97	40.4 Å²	40.4	68%	0.678	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-28.7	-177	54.6	0	0	0	0	114.1	R60	R60-S62 VanDerWaalsContact C-N 3.28Å; R60-S62 WeakPolarHBondContact CG-OG 3.32Å; R60-S62 PolarHBondContact NE-OG 3.3Å; R60-S62 PolarHBondContact O-N 3.12Å
63	D	97.6	Very high	97.6	Very high	84 Å²	84	38.1 Å²	38.1	45%	0.449	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151.8	10.8	-167.8	64.4	-21.6	0	0	0	113.9	R60 A65	R60-D63 IonicContact CZ-OD1 2.6Å; R60-D63 IonicContact CZ-OD2 2.63Å; R60-D63 IonicContact NE-OD1 3.54Å; R60-D63 PolarHBondContact NE-OD1 2.98Å; R60-D63 IonicContact NE-OD2 3.9Å; R60-D63 IonicContact NH2-OD1 3.15Å; R60-D63 PolarHBondContact NH2-OD1 3.21Å; R60-D63 IonicContact NH2-OD2 3.68Å; R60-D63 PolarHBondContact NH2-OD2 2.82Å; D63-A65 PolarHBondContact O-N 2.85Å; D63-A65 WeakPolarHBondContact OD1-CB 3.48Å; D63-A65 PolarHBondContact OD1-N 2.86Å
64	D	97.1	Very high	97.7	Very high	122 Å²	122	41.4 Å²	41.4	65%	0.652	23%	0.228	S	C	*	.			trans	56.4	16.7	-177.5	-62.7	-47.3	0	0	0	114.7	R60 L66	R60-D64 WeakPolarHBondContact O-CA 3.41Å; R60-D64 PolarHBondContact O-N 3.31Å; D64-L66 PolarHBondContact O-N 2.68Å
65	A	97.6	Very high	97.5	Very high	31 Å²	31	47.2 Å²	47.2	26%	0.256	25%	0.253	S	S	.	.			trans	-60.4	130.1	179.6	0	0	0	0	0	110.6	S59 R60 D63	S59-A65 CarbonylContact C-O 3.57Å; S59-A65 WeakPolarHBondContact CA-O 3.37Å; R60-A65 HydrophobicContact CB-CB 4.37Å; R60-A65 PolarHBondContact N-O 3.02Å; D63-A65 PolarHBondContact O-N 2.85Å; D63-A65 WeakPolarHBondContact OD1-CB 3.48Å; D63-A65 PolarHBondContact OD1-N 2.86Å
66	L	97.8	Very high	97.3	Very high	56 Å²	56	51.4 Å²	51.4	29%	0.293	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.3	179.4	-58.2	-172.1	0	0	0	110.5	D64 R124 E126	D64-L66 PolarHBondContact O-N 2.68Å; L66-R124 HydrophobicContact CB-CB 4.43Å; L66-R124 PolarHBondContact O-N 2.79Å; L66-E126 HydrophobicContact CD1-CB 3.78Å; L66-E126 HydrophobicContact CD1-CG 3.72Å
67	V	98.4	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.3	178.3	-58.9	0	0	0	0	111.5	Y41 G58 V69 L109 V121 M122 R124	Y41-V67 HydrophobicContact CD1-CG1 4.37Å; Y41-V67 HydrophobicContact CD1-CG2 4.01Å; Y41-V67 HydrophobicContact CE1-CG1 4.13Å; G58-V67 VanDerWaalsContact C-CG2 3.45Å; G58-V67 PolarHBondContact N-O 3.05Å; G58-V67 PolarHBondContact O-N 3.32Å; V67-V69 HydrophobicContact CG2-CG2 4.03Å; V67-L109 HydrophobicContact CG1-CD1 3.61Å; V67-V121 HydrophobicContact CB-CG1 3.96Å; V67-V121 HydrophobicContact CG1-CG1 4.14Å; V67-V121 HydrophobicContact CG2-CG1 4.18Å; V67-M122 CarbonylContact C-O 3.56Å; V67-M122 VanDerWaalsContact CA-O 3.3Å; V67-M122 WeakPolarHBondContact CA-O 3.28Å; V67-M122 WeakPolarHBondContact CB-O 3.49Å; V67-R124 VanDerWaalsContact C-CB 3.41Å; V67-R124 WeakPolarHBondContact O-CD 3.38Å; V67-R124 PolarHBondContact O-NE 3.23Å
68	A	98.3	Very high	96.6	Very high	11 Å²	11	53.2 Å²	53.2	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	165.7	0	0	0	0	0	108	V55 Y56 V121 M122 R124	V55-A68 HydrophobicContact CG1-CB 4.02Å; Y56-A68 CarbonylContact O-C 3.57Å; Y56-A68 WeakPolarHBondContact O-CA 3.44Å; A68-V121 WeakPolarHBondContact O-CA 3.48Å; A68-M122 HydrophobicContact CB-CE 4.45Å; A68-M122 PolarHBondContact N-O 2.84Å; A68-M122 PolarHBondContact O-N 3.28Å; A68-R124 HydrophobicContact CB-CB 4.16Å; A68-R124 HydrophobicContact CB-CG 4.46Å
69	V	98.5	Very high	96.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	105	-179.5	-175	0	0	0	0	108	F37 V55 Y56 V67 L119	F37-V69 HydrophobicContact CE2-CG1 4.12Å; F37-V69 HydrophobicContact CE2-CG2 4.34Å; F37-V69 HydrophobicContact CZ-CG1 3.97Å; F37-V69 HydrophobicContact CZ-CG2 4.16Å; V55-V69 WeakPolarHBondContact CA-O 3.14Å; Y56-V69 WeakPolarHBondContact CD2-O 3.14Å; Y56-V69 PolarHBondContact N-O 2.86Å; Y56-V69 PolarHBondContact O-N 2.92Å; V67-V69 HydrophobicContact CG2-CG2 4.03Å; V69-L119 HydrophobicContact CG1-CB 4.18Å; V69-L119 HydrophobicContact CG1-CD1 4.48Å; V69-L119 HydrophobicContact CG1-CD2 4.05Å; V69-L119 HydrophobicContact CG1-CG 4.48Å
70	K	98.4	Very high	96.4	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.022	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.2	175.9	-178.3	174.4	178.3	-177.5	0	109.6	F52 T54 V55 V72 E91 L119 I120 M122 D188	F52-K70 WeakPolarHBondContact O-CE 3.47Å; T54-K70 CarbonylContact O-C 3.58Å; T54-K70 WeakPolarHBondContact O-CA 3.38Å; V55-K70 HydrophobicContact CG2-CB 4.07Å; V55-K70 HydrophobicContact CG2-CD 4.32Å; V55-K70 HydrophobicContact CG2-CG 4Å; K70-V72 HydrophobicContact CD-CG2 4.38Å; K70-V72 HydrophobicContact CG-CG2 4.06Å; K70-E91 VanDerWaalsContact NZ-CD 3.27Å; K70-E91 IonicContact NZ-OE1 3.9Å; K70-E91 PolarHBondContact NZ-OE1 2.92Å; K70-E91 IonicContact NZ-OE2 3.9Å; K70-E91 PolarHBondContact NZ-OE2 3.26Å; K70-L119 CarbonylContact O-C 3.6Å; K70-L119 WeakPolarHBondContact O-CA 3.46Å; K70-I120 HydrophobicContact CB-CB 4.3Å; K70-I120 PolarHBondContact N-O 2.94Å; K70-I120 PolarHBondContact O-N 3.48Å; K70-M122 HydrophobicContact CB-CE 3.74Å; K70-M122 HydrophobicContact CD-CE 4.48Å; K70-D188 IonicContact NZ-OD1 3.41Å; K70-D188 PolarHBondContact NZ-OD1 2.91Å; K70-D188 IonicContact NZ-OD2 3.99Å
71	H	98.3	Very high	96.2	Very high	28 Å²	28	57.1 Å²	57.1	13%	0.13	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.1	171	-178.8	-128.2	0	0	0	110.4	G53 T54 Y56 D116 W118 L119	G53-H71 VanDerWaalsContact CA-O 3.28Å; G53-H71 WeakPolarHBondContact CA-O 2.98Å; T54-H71 PolarHBondContact N-O 3.42Å; T54-H71 PolarHBondContact O-N 2.92Å; Y56-H71 HydrophobicContact CE2-CB 4.16Å; H71-D116 IonicContact CE1-OD2 3.5Å; H71-D116 IonicContact NE2-OD1 3.8Å; H71-D116 IonicContact NE2-OD2 3.4Å; H71-W118 CarbonylContact C-O 3.56Å; H71-W118 VanDerWaalsContact CA-O 3.31Å; H71-W118 WeakPolarHBondContact CA-O 3.24Å; H71-W118 PolarHBondContact CD2-O 2.95Å; H71-L119 HydrophobicContact CB-CD2 3.88Å
72	V	97.6	Very high	96.2	Very high	8 Å²	8	57 Å²	57	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110	176.6	-171.4	0	0	0	0	109	K70 V77 G117 W118 I120	K70-V72 HydrophobicContact CD-CG2 4.38Å; K70-V72 HydrophobicContact CG-CG2 4.06Å; V72-V77 HydrophobicContact CG1-CG2 3.9Å; V72-G117 CarbonylContact O-C 3.48Å; V72-G117 WeakPolarHBondContact O-CA 3.3Å; V72-W118 PolarHBondContact N-O 3.46Å; V72-W118 PolarHBondContact O-N 2.9Å; V72-I120 HydrophobicContact CG2-CD1 4.06Å
73	P	96.5	Very high	96	Very high	18 Å²	18	53.4 Å²	53.4	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	144.2	176.1	-22.8	32.8	0	0	0	111.9	E75 R76 D116	P73-E75 HydrophobicContact CB-CG 4.42Å; P73-E75 WeakPolarHBondContact CB-OE1 3.49Å; P73-E75 PolarHBondContact O-N 3.38Å; P73-R76 HydrophobicContact CB-CG 4.24Å; P73-R76 HydrophobicContact CG-CG 4.36Å; P73-R76 PolarHBondContact O-N 3.4Å; P73-D116 WeakPolarHBondContact CA-O 3.45Å
74	K	94.6	Very high	95.7	Very high	72 Å²	72	57.3 Å²	57.3	31%	0.313	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-56.5	-39.3	-176.1	-75.8	-169.3	172	-175.7	0	112.6	R76 V77 E113 R114 D116	K74-R76 PolarHBondContact O-N 2.88Å; K74-V77 PolarHBondContact O-N 3.17Å; K74-E113 IonicContact NZ-OE1 2.81Å; K74-E113 PolarHBondContact NZ-OE1 3.06Å; K74-R114 WeakPolarHBondContact CE-O 3.43Å; K74-R114 PolarHBondContact NZ-O 3.31Å; K74-D116 PolarHBondContact N-O 2.96Å; K74-D116 VanDerWaalsContact N-O 3.12Å
75	E	93.3	Very high	95.5	Very high	155 Å²	155	54.9 Å²	54.9	72%	0.724	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.4	179.8	67.2	-84.4	-166.3	0	0	114.2	P73	P73-E75 HydrophobicContact CB-CG 4.42Å; P73-E75 WeakPolarHBondContact CB-OE1 3.49Å; P73-E75 PolarHBondContact O-N 3.38Å
76	R	92.8	Very high	95.2	Very high	124 Å²	124	56.5 Å²	56.5	47%	0.468	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-98.1	-2.6	177.5	-62.6	-169.5	-173.8	-177.4	0.4	113.4	G50 P73 K74 T78	G50-R76 PolarHBondContact O-NH1 2.93Å; P73-R76 HydrophobicContact CB-CG 4.24Å; P73-R76 HydrophobicContact CG-CG 4.36Å; P73-R76 PolarHBondContact O-N 3.4Å; K74-R76 PolarHBondContact O-N 2.88Å; R76-T78 PolarHBondContact O-N 2.88Å
77	V	93	Very high	95.1	Very high	19 Å²	19	58.5 Å²	58.5	12%	0.115	31%	0.314	C	S	.	.			trans	-79	104.2	176.1	-174.9	0	0	0	0	109.1	V72 K74 E79 W80 P89	V72-V77 HydrophobicContact CG1-CG2 3.9Å; K74-V77 PolarHBondContact O-N 3.17Å; V77-E79 WeakPolarHBondContact CG1-O 3.34Å; V77-W80 HydrophobicContact CB-CH2 4.25Å; V77-W80 HydrophobicContact CB-CZ2 3.58Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 4.27Å; V77-W80 HydrophobicContact CG1-CG 4.19Å; V77-W80 HydrophobicContact CG1-CH2 4.15Å; V77-W80 HydrophobicContact CG1-CZ2 3.6Å; V77-W80 HydrophobicContact CG1-CZ3 4.45Å; V77-W80 HydrophobicContact CG2-CH2 4.34Å; V77-W80 HydrophobicContact CG2-CZ2 4.11Å; V77-W80 PolarHBondContact O-NE1 2.67Å; V77-P89 HydrophobicContact CG1-CB 3.84Å; V77-P89 HydrophobicContact CG1-CG 4Å; V77-P89 HydrophobicContact CG2-CB 4.45Å; V77-P89 HydrophobicContact CG2-CG 3.98Å
78	T	89.3	Confident	95.1	Very high	98 Å²	98	58.5 Å²	58.5	60%	0.601	31%	0.314	S	S	*	.			trans	-81.7	-39.3	-178.9	53.6	0	0	0	0	112.3	R76	R76-T78 PolarHBondContact O-N 2.88Å
79	E	94	Very high	95	Very high	63 Å²	63	58.2 Å²	58.2	29%	0.294	31%	0.311	S	S	.	.			trans	-121.9	139.9	-178	-65.7	-165.9	-132.9	0	0	112	V77 L90 R168	V77-E79 WeakPolarHBondContact CG1-O 3.34Å; E79-L90 HydrophobicContact CB-CB 3.74Å; E79-L90 HydrophobicContact CB-CD2 3.77Å; E79-L90 HydrophobicContact CB-CG 4.41Å; E79-L90 HydrophobicContact CG-CD2 4.4Å; E79-L90 PolarHBondContact O-N 3.15Å; E79-L90 WeakPolarHBondContact OE2-CD2 3.35Å; E79-R168 IonicContact OE1-CZ 3.8Å; E79-R168 IonicContact OE1-NH2 3.15Å; E79-R168 PolarHBondContact OE1-NH2 3.36Å
80	W	96.4	Very high	95	Very high	108 Å²	108	59 Å²	59	41%	0.409	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.2	-176.9	-63.6	81.9	0	0	0	111.1	V77 M87 V88 W118	V77-W80 HydrophobicContact CB-CH2 4.25Å; V77-W80 HydrophobicContact CB-CZ2 3.58Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 4.27Å; V77-W80 HydrophobicContact CG1-CG 4.19Å; V77-W80 HydrophobicContact CG1-CH2 4.15Å; V77-W80 HydrophobicContact CG1-CZ2 3.6Å; V77-W80 HydrophobicContact CG1-CZ3 4.45Å; V77-W80 HydrophobicContact CG2-CH2 4.34Å; V77-W80 HydrophobicContact CG2-CZ2 4.11Å; V77-W80 PolarHBondContact O-NE1 2.67Å; W80-M87 HydrophobicContact CB-CE 3.46Å; W80-M87 VanDerWaalsContact CB-CE 3.46Å; W80-M87 HydrophobicContact CD2-CE 4.46Å; W80-M87 HydrophobicContact CE3-CE 4.37Å; W80-M87 HydrophobicContact CG-CE 4.15Å; W80-V88 WeakPolarHBondContact CA-O 3.47Å; W80-W118 HydrophobicContact CH2-CZ2 4.41Å; W80-W118 AromaticContact CH2-NE1 3.58Å; W80-W118 AromaticContact CZ3-CE2 3.99Å; W80-W118 AromaticContact CZ3-CZ2 3.82Å; W80-W118 HydrophobicContact CZ3-CZ2 3.82Å; W80-W118 AromaticContact CZ3-NE1 3.74Å
81	G	96.2	Very high	95	Very high	15 Å²	15	59.4 Å²	59.4	16%	0.155	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	-163.6	165.1	0	0	0	0	0	111.5	M87 V88 I93	G81-M87 WeakPolarHBondContact O-CA 3.33Å; G81-V88 PolarHBondContact N-O 2.66Å; G81-V88 PolarHBondContact O-N 3.16Å; G81-I93 VanDerWaalsContact C-CD1 3.45Å
82	T	96.3	Very high	95	Very high	81 Å²	81	58 Å²	58	50%	0.497	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133	-171.9	-48.4	0	0	0	0	112.4	G85 V86 M87	T82-G85 VanDerWaalsContact CG2-C 3.43Å; T82-V86 CarbonylContact C-O 3.57Å; T82-V86 VanDerWaalsContact CA-O 3.28Å; T82-V86 WeakPolarHBondContact CA-O 3.21Å; T82-M87 PolarHBondContact OG1-SD 3.48Å
83	I	93.6	Very high	95	Very high	23 Å²	23	59 Å²	59	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.8	169	-60.8	176.8	0	0	0	107.8	G85 V86 V88 I92 I93 K96	I83-G85 PolarHBondContact O-N 2.67Å; I83-G85 VanDerWaalsContact O-N 3.17Å; I83-V86 PolarHBondContact N-O 3.1Å; I83-V86 WeakPolarHBondContact O-CB 3.4Å; I83-V86 PolarHBondContact O-N 2.89Å; I83-V88 HydrophobicContact CD1-CG2 3.81Å; I83-V88 HydrophobicContact CG1-CG2 3.83Å; I83-I92 HydrophobicContact CD1-CG2 3.98Å; I83-I93 HydrophobicContact CD1-CG1 4Å; I83-I93 HydrophobicContact CG1-CG1 3.9Å; I83-K96 HydrophobicContact CD1-CD 3.97Å
84	N	92.2	Very high	95.1	Very high	166 Å²	166	58.1 Å²	58.1	89%	0.888	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.7	179.8	-61	-24.7	0	0	0	114	V86	N84-V86 VanDerWaalsContact C-N 3.3Å; N84-V86 PolarHBondContact O-N 2.99Å
85	G	91.6	Very high	95.3	Very high	70 Å²	70	54.7 Å²	54.7	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-2.6	-177.8	0	0	0	0	0	115.4	T82 I83	T82-G85 VanDerWaalsContact CG2-C 3.43Å; I83-G85 PolarHBondContact O-N 2.67Å; I83-G85 VanDerWaalsContact O-N 3.17Å
86	V	92.1	Very high	95.6	Very high	66 Å²	66	53.2 Å²	53.2	40%	0.4	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.6	176.6	-177.1	0	0	0	0	110	T82 I83 N84 V88 W111	T82-V86 CarbonylContact C-O 3.57Å; T82-V86 VanDerWaalsContact CA-O 3.28Å; T82-V86 WeakPolarHBondContact CA-O 3.21Å; I83-V86 PolarHBondContact N-O 3.1Å; I83-V86 WeakPolarHBondContact O-CB 3.4Å; I83-V86 PolarHBondContact O-N 2.89Å; N84-V86 VanDerWaalsContact C-N 3.3Å; N84-V86 PolarHBondContact O-N 2.99Å; V86-V88 HydrophobicContact CG1-CG1 4.23Å; V86-W111 HydrophobicContact CG1-CH2 4.24Å
87	M	95.9	Very high	95.8	Very high	98 Å²	98	51.6 Å²	51.6	48%	0.483	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.3	173.7	-74.3	-61	-61.1	0	0	110.2	W80 G81 T82 W118	W80-M87 HydrophobicContact CB-CE 3.46Å; W80-M87 VanDerWaalsContact CB-CE 3.46Å; W80-M87 HydrophobicContact CD2-CE 4.46Å; W80-M87 HydrophobicContact CE3-CE 4.37Å; W80-M87 HydrophobicContact CG-CE 4.15Å; G81-M87 WeakPolarHBondContact O-CA 3.33Å; T82-M87 PolarHBondContact OG1-SD 3.48Å; M87-W118 WeakPolarHBondContact O-CH2 3.42Å
88	V	97.7	Very high	96.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.4	-179.7	-59.7	0	0	0	0	110.2	W80 G81 I83 V86 I92 I93 W111 W118	W80-V88 WeakPolarHBondContact CA-O 3.47Å; G81-V88 PolarHBondContact N-O 2.66Å; G81-V88 PolarHBondContact O-N 3.16Å; I83-V88 HydrophobicContact CD1-CG2 3.81Å; I83-V88 HydrophobicContact CG1-CG2 3.83Å; V86-V88 HydrophobicContact CG1-CG1 4.23Å; V88-I92 HydrophobicContact CB-CD1 4.37Å; V88-I92 HydrophobicContact CG2-CB 4.47Å; V88-I93 HydrophobicContact CG2-CD1 3.87Å; V88-I93 HydrophobicContact CG2-CG1 3.69Å; V88-W111 HydrophobicContact CG1-CH2 3.83Å; V88-W111 HydrophobicContact CG1-CZ2 3.95Å; V88-W111 HydrophobicContact CG1-CZ3 4.26Å; V88-W118 HydrophobicContact CB-CH2 4.2Å; V88-W118 HydrophobicContact CB-CZ3 4.09Å; V88-W118 HydrophobicContact CG1-CH2 3.83Å; V88-W118 HydrophobicContact CG1-CZ3 3.72Å
89	P	97.8	Very high	96.3	Very high	4 Å²	4	48 Å²	48	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	139.9	168.4	-27.5	32.7	0	0	0	111.6	V77 E91 I92 W118	V77-P89 HydrophobicContact CG1-CB 3.84Å; V77-P89 HydrophobicContact CG1-CG 4Å; V77-P89 HydrophobicContact CG2-CB 4.45Å; V77-P89 HydrophobicContact CG2-CG 3.98Å; P89-E91 PolarHBondContact O-N 2.65Å; P89-I92 HydrophobicContact CB-CG1 4.43Å; P89-I92 HydrophobicContact CG-CD1 4.23Å; P89-I92 PolarHBondContact O-N 2.6Å; P89-I92 VanDerWaalsContact O-N 3.11Å; P89-W118 VanDerWaalsContact CD-CE2 3.42Å; P89-W118 HydrophobicContact CG-CB 4.14Å; P89-W118 HydrophobicContact CG-CD2 3.69Å; P89-W118 HydrophobicContact CG-CE3 4.3Å; P89-W118 HydrophobicContact CG-CG 3.53Å
90	L	97.7	Very high	96.2	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-37.1	179	-179.3	62.1	0	0	0	111.6	E79 I92 I93 L94 I194	E79-L90 HydrophobicContact CB-CB 3.74Å; E79-L90 HydrophobicContact CB-CD2 3.77Å; E79-L90 HydrophobicContact CB-CG 4.41Å; E79-L90 HydrophobicContact CG-CD2 4.4Å; E79-L90 PolarHBondContact O-N 3.15Å; E79-L90 WeakPolarHBondContact OE2-CD2 3.35Å; L90-I92 PolarHBondContact O-N 3.16Å; L90-I92 VanDerWaalsContact O-N 3.16Å; L90-I93 HydrophobicContact CD1-CB 4.31Å; L90-I93 HydrophobicContact CD1-CD1 4.34Å; L90-I93 WeakPolarHBondContact O-CA 3.19Å; L90-I93 WeakPolarHBondContact O-CB 3.49Å; L90-I93 PolarHBondContact O-N 3.43Å; L90-L94 HydrophobicContact CD1-CD2 4.1Å; L90-L94 HydrophobicContact CD1-CG 4.28Å; L90-L94 HydrophobicContact CD2-CD1 4.43Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 HydrophobicContact CG-CD2 4.24Å; L90-L94 HydrophobicContact CG-CG 4Å; L90-L94 WeakPolarHBondContact O-CG 3.15Å; L90-L94 PolarHBondContact O-N 2.82Å; L90-I194 HydrophobicContact CD1-CG1 4.46Å
91	E	98	Very high	96.1	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-49.5	-42.1	176.4	-177.3	173.3	-176.4	0	0	112.8	K70 P89 I93 L94 L95 I120 F189	K70-E91 VanDerWaalsContact NZ-CD 3.27Å; K70-E91 IonicContact NZ-OE1 3.9Å; K70-E91 PolarHBondContact NZ-OE1 2.92Å; K70-E91 IonicContact NZ-OE2 3.9Å; K70-E91 PolarHBondContact NZ-OE2 3.26Å; P89-E91 PolarHBondContact O-N 2.65Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.06Å; E91-L94 PolarHBondContact O-N 2.88Å; E91-L95 HydrophobicContact CG-CD1 3.95Å; E91-L95 HydrophobicContact CG-CG 4.41Å; E91-L95 WeakPolarHBondContact O-CB 3.3Å; E91-L95 WeakPolarHBondContact O-CG 3.34Å; E91-L95 PolarHBondContact O-N 2.97Å; E91-I120 HydrophobicContact CB-CD1 4.38Å; E91-I120 HydrophobicContact CG-CD1 4.07Å; E91-F189 HydrophobicContact CG-CB 4.16Å
92	I	98.4	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-38.7	177.9	-62.8	-179.9	0	0	0	111	I83 V88 P89 L90 K96 L108 W111 W118 I120	I83-I92 HydrophobicContact CD1-CG2 3.98Å; V88-I92 HydrophobicContact CB-CD1 4.37Å; V88-I92 HydrophobicContact CG2-CB 4.47Å; P89-I92 HydrophobicContact CB-CG1 4.43Å; P89-I92 HydrophobicContact CG-CD1 4.23Å; P89-I92 PolarHBondContact O-N 2.6Å; P89-I92 VanDerWaalsContact O-N 3.11Å; L90-I92 PolarHBondContact O-N 3.16Å; L90-I92 VanDerWaalsContact O-N 3.16Å; I92-K96 WeakPolarHBondContact O-CB 3.35Å; I92-K96 PolarHBondContact O-N 2.84Å; I92-L108 HydrophobicContact CG2-CD2 4.15Å; I92-W111 HydrophobicContact CD1-CB 3.8Å; I92-W111 HydrophobicContact CD1-CD2 4.2Å; I92-W111 HydrophobicContact CD1-CE3 4.48Å; I92-W111 HydrophobicContact CD1-CG 3.93Å; I92-W111 HydrophobicContact CG1-CB 4.47Å; I92-W111 HydrophobicContact CG2-CB 4.37Å; I92-W111 HydrophobicContact CG2-CD2 4.42Å; I92-W111 HydrophobicContact CG2-CG 3.86Å; I92-W118 HydrophobicContact CD1-CE3 3.75Å; I92-W118 HydrophobicContact CD1-CZ3 4.28Å; I92-I120 HydrophobicContact CD1-CD1 4.46Å; I92-I120 HydrophobicContact CD1-CG1 4.16Å; I92-I120 HydrophobicContact CG1-CD1 3.81Å; I92-I120 HydrophobicContact CG1-CG1 3.9Å
93	I	98.5	Very high	96	Very high	28 Å²	28	53.4 Å²	53.4	14%	0.144	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-44.1	178.6	-61.5	170.1	0	0	0	110.2	G81 I83 V88 L90 E91 K96 K97	G81-I93 VanDerWaalsContact C-CD1 3.45Å; I83-I93 HydrophobicContact CD1-CG1 4Å; I83-I93 HydrophobicContact CG1-CG1 3.9Å; V88-I93 HydrophobicContact CG2-CD1 3.87Å; V88-I93 HydrophobicContact CG2-CG1 3.69Å; L90-I93 HydrophobicContact CD1-CB 4.31Å; L90-I93 HydrophobicContact CD1-CD1 4.34Å; L90-I93 WeakPolarHBondContact O-CA 3.19Å; L90-I93 WeakPolarHBondContact O-CB 3.49Å; L90-I93 PolarHBondContact O-N 3.43Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.06Å; I93-K96 PolarHBondContact O-N 2.82Å; I93-K97 HydrophobicContact CG2-CD 4.11Å; I93-K97 VanDerWaalsContact O-CG 3.3Å; I93-K97 WeakPolarHBondContact O-CG 3.16Å; I93-K97 PolarHBondContact O-N 3.18Å
94	L	98.6	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-50.6	179.1	-57.3	-177.7	0	0	0	110.6	L90 E91 K96 K97 V98 V165 F189 G192 I194	L90-L94 HydrophobicContact CD1-CD2 4.1Å; L90-L94 HydrophobicContact CD1-CG 4.28Å; L90-L94 HydrophobicContact CD2-CD1 4.43Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 HydrophobicContact CG-CD2 4.24Å; L90-L94 HydrophobicContact CG-CG 4Å; L90-L94 WeakPolarHBondContact O-CG 3.15Å; L90-L94 PolarHBondContact O-N 2.82Å; E91-L94 PolarHBondContact O-N 2.88Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-K97 WeakPolarHBondContact O-CB 3.49Å; L94-K97 PolarHBondContact O-N 2.87Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.23Å; L94-V165 HydrophobicContact CB-CG1 4.13Å; L94-V165 HydrophobicContact CB-CG2 4.44Å; L94-V165 HydrophobicContact CD2-CG1 4.16Å; L94-V165 HydrophobicContact CD2-CG2 4.05Å; L94-V165 HydrophobicContact CG-CG1 4.49Å; L94-F189 HydrophobicContact CB-CB 4.19Å; L94-F189 HydrophobicContact CB-CD1 4.11Å; L94-F189 HydrophobicContact CB-CG 4.5Å; L94-F189 HydrophobicContact CD1-CB 4.47Å; L94-G192 VanDerWaalsContact CD1-CA 3.48Å; L94-I194 HydrophobicContact CD2-CD1 3.66Å; L94-I194 HydrophobicContact CD2-CG1 4.35Å
95	L	98.4	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-43.6	175.7	-77.4	171.6	0	0	0	111.7	E91 K97 V98 S99 I106 L108 I120 M122 F189	E91-L95 HydrophobicContact CG-CD1 3.95Å; E91-L95 HydrophobicContact CG-CG 4.41Å; E91-L95 WeakPolarHBondContact O-CB 3.3Å; E91-L95 WeakPolarHBondContact O-CG 3.34Å; E91-L95 PolarHBondContact O-N 2.97Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 3.41Å; L95-V98 WeakPolarHBondContact O-CG2 3.38Å; L95-V98 PolarHBondContact O-N 2.91Å; L95-S99 VanDerWaalsContact O-CB 3.24Å; L95-S99 WeakPolarHBondContact O-CB 3.39Å; L95-S99 PolarHBondContact O-N 2.93Å; L95-S99 PolarHBondContact O-OG 3.17Å; L95-I106 HydrophobicContact CD2-CG2 3.97Å; L95-L108 HydrophobicContact CB-CB 4.02Å; L95-L108 HydrophobicContact CB-CD2 4.32Å; L95-L108 HydrophobicContact CD1-CD1 4.37Å; L95-I120 HydrophobicContact CD1-CG2 3.73Å; L95-M122 HydrophobicContact CD1-SD 4.1Å; L95-F189 HydrophobicContact CD2-CB 4.38Å; L95-F189 HydrophobicContact CD2-CD2 3.44Å; L95-F189 VanDerWaalsContact CD2-CD2 3.44Å; L95-F189 HydrophobicContact CD2-CE2 3.98Å; L95-F189 HydrophobicContact CD2-CG 4.08Å; L95-F189 HydrophobicContact CG-CB 4.2Å; L95-F189 HydrophobicContact CG-CD2 4.17Å; L95-F189 HydrophobicContact CG-CG 4.34Å
96	K	98.1	Very high	96.7	Very high	123 Å²	123	41.9 Å²	41.9	54%	0.535	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-37.3	175.8	-173.8	-178.2	-179.2	76.1	0	112.5	I83 I92 I93 L94 L108	I83-K96 HydrophobicContact CD1-CD 3.97Å; I92-K96 WeakPolarHBondContact O-CB 3.35Å; I92-K96 PolarHBondContact O-N 2.84Å; I93-K96 PolarHBondContact O-N 2.82Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 2.96Å; K96-L108 HydrophobicContact CB-CD2 4.08Å
97	K	98.3	Very high	97	Very high	91 Å²	91	41.3 Å²	41.3	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-69.3	-38.3	178.7	-74.2	171.2	62.5	61.8	0	112.2	I93 L94 L95 S163 V165 I194	I93-K97 HydrophobicContact CG2-CD 4.11Å; I93-K97 VanDerWaalsContact O-CG 3.3Å; I93-K97 WeakPolarHBondContact O-CG 3.16Å; I93-K97 PolarHBondContact O-N 3.18Å; L94-K97 WeakPolarHBondContact O-CB 3.49Å; L94-K97 PolarHBondContact O-N 2.87Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 3.41Å; K97-S163 WeakPolarHBondContact CE-O 3.24Å; K97-S163 PolarHBondContact NZ-O 3.05Å; K97-S163 WeakPolarHBondContact O-CB 3.42Å; K97-V165 HydrophobicContact CB-CG2 3.85Å; K97-V165 HydrophobicContact CD-CG2 4.16Å; K97-I194 HydrophobicContact CD-CD1 3.89Å
98	V	98.2	Very high	97.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-87.2	-16.8	180	-58.8	0	0	0	0	113.3	L94 L95 S100 V105 H159 C160 V165 F189	L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.23Å; L95-V98 WeakPolarHBondContact O-CG2 3.38Å; L95-V98 PolarHBondContact O-N 2.91Å; V98-S100 PolarHBondContact O-N 3.19Å; V98-V105 HydrophobicContact CB-CG1 4.04Å; V98-V105 HydrophobicContact CG2-CG1 3.55Å; V98-H159 PolarHBondContact O-NE2 2.82Å; V98-C160 HydrophobicContact CG1-CB 4.44Å; V98-V165 HydrophobicContact CG1-CB 3.9Å; V98-V165 HydrophobicContact CG1-CG1 4.17Å; V98-V165 HydrophobicContact CG1-CG2 3.86Å; V98-F189 HydrophobicContact CG1-CE1 4.03Å; V98-F189 HydrophobicContact CG1-CZ 4.36Å; V98-F189 HydrophobicContact CG2-CE1 4.07Å; V98-F189 HydrophobicContact CG2-CE2 4.28Å; V98-F189 HydrophobicContact CG2-CZ 3.84Å
99	S	94.8	Very high	97.1	Very high	39 Å²	39	41.2 Å²	41.2	27%	0.273	21%	0.21	S	C	.	.			trans	-68.1	97.5	177.5	-67.3	0	0	0	0	110.7	L95 L108	L95-S99 VanDerWaalsContact O-CB 3.24Å; L95-S99 WeakPolarHBondContact O-CB 3.39Å; L95-S99 PolarHBondContact O-N 2.93Å; L95-S99 PolarHBondContact O-OG 3.17Å; S99-L108 WeakPolarHBondContact OG-CB 3.31Å; S99-L108 PolarHBondContact OG-N 3.39Å
100	S	91.9	Very high	97.1	Very high	47 Å²	47	42.5 Å²	42.5	33%	0.329	22%	0.217	S	C	.	.	S	Bend	trans	-132.3	-164.2	179	82.2	0	0	0	0	110.5	V98 F102 K107 H159	V98-S100 PolarHBondContact O-N 3.19Å; S100-F102 PolarHBondContact O-N 3.24Å; S100-F102 WeakPolarHBondContact OG-CB 3.37Å; S100-F102 PolarHBondContact OG-N 3.08Å; S100-K107 WeakPolarHBondContact O-CE 2.96Å; S100-H159 PolarHBondContact OG-CE1 3.48Å
101	S	93.1	Very high	97.1	Very high	115 Å²	115	44.3 Å²	44.3	80%	0.804	22%	0.222	S	C	*	.	S	Bend	trans	-71.9	-11.9	169.5	56.8	0	0	0	0	113.7
102	F	96.1	Very high	97.1	Very high	54 Å²	54	44.7 Å²	44.7	24%	0.237	22%	0.223	C	C	.	.			trans	-63.8	136	175.7	-175.1	-103.5	0	0	0	110.6	S100 V105 K107 E155 A156 H159	S100-F102 PolarHBondContact O-N 3.24Å; S100-F102 WeakPolarHBondContact OG-CB 3.37Å; S100-F102 PolarHBondContact OG-N 3.08Å; F102-V105 HydrophobicContact CD1-CB 4.44Å; F102-V105 HydrophobicContact CD1-CG2 4.15Å; F102-V105 HydrophobicContact CE1-CG2 4.07Å; F102-K107 WeakPolarHBondContact O-CE 3.45Å; F102-E155 HydrophobicContact CE2-CB 4.44Å; F102-E155 HydrophobicContact CZ-CB 4.14Å; F102-A156 HydrophobicContact CE1-CB 4.1Å; F102-A156 HydrophobicContact CZ-CB 4.43Å; F102-H159 HydrophobicContact CD1-CB 3.76Å; F102-H159 AromaticContact CD1-CD2 3.35Å; F102-H159 WeakPolarHBondContact CD1-CD2 3.2Å; F102-H159 AromaticContact CD1-CG 3.49Å; F102-H159 VanDerWaalsContact CD1-CG 3.49Å; F102-H159 HydrophobicContact CD2-CB 4.46Å; F102-H159 HydrophobicContact CE1-CB 3.81Å; F102-H159 HydrophobicContact CG-CB 4.1Å; F102-H159 AromaticContact CG-CD2 3.87Å; F102-H159 AromaticContact CG-CG 3.7Å; F102-H159 HydrophobicContact CZ-CB 4.2Å
103	R	94.5	Very high	97	Very high	166 Å²	166	49.7 Å²	49.7	63%	0.626	25%	0.247	S	C	*	.	S	Bend	trans	-97.1	-19.2	-174.7	-58.1	-169	-147.3	-178.5	7.1	114.4	V105 E183	R103-V105 PolarHBondContact O-N 3.03Å; R103-E183 IonicContact NH1-OE1 3.53Å
104	G	97.4	Very high	96.8	Very high	11 Å²	11	52.7 Å²	52.7	11%	0.113	26%	0.256	C	S	.	.	S	Bend	trans	-74.8	7.8	-176.8	0	0	0	0	0	115	A156 L184 L186	G104-A156 VanDerWaalsContact O-CB 3.26Å; G104-A156 WeakPolarHBondContact O-CB 3.46Å; G104-L184 WeakPolarHBondContact CA-O 3.37Å; G104-L186 WeakPolarHBondContact O-CB 3.22Å; G104-L186 PolarHBondContact O-N 2.82Å
105	V	98.3	Very high	96.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-137.6	134.6	175.5	177.2	0	0	0	0	108.4	V98 F102 R103 K107 A156 L186 F189	V98-V105 HydrophobicContact CB-CG1 4.04Å; V98-V105 HydrophobicContact CG2-CG1 3.55Å; F102-V105 HydrophobicContact CD1-CB 4.44Å; F102-V105 HydrophobicContact CD1-CG2 4.15Å; F102-V105 HydrophobicContact CE1-CG2 4.07Å; R103-V105 PolarHBondContact O-N 3.03Å; V105-K107 PolarHBondContact O-N 2.85Å; V105-A156 HydrophobicContact CG2-CB 4.14Å; V105-L186 HydrophobicContact CG2-CB 4.28Å; V105-L186 HydrophobicContact CG2-CD2 4.47Å; V105-F189 HydrophobicContact CG1-CE2 3.6Å; V105-F189 HydrophobicContact CG1-CZ 3.5Å
106	I	97.5	Very high	96.4	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.6	134	-178.4	-156.2	73.4	0	0	0	111.4	L95 M122 E123 T185 L186 I187	L95-I106 HydrophobicContact CD2-CG2 3.97Å; I106-M122 HydrophobicContact CG1-CB 4.1Å; I106-M122 HydrophobicContact CG2-SD 4.13Å; I106-E123 HydrophobicContact CD1-CG 3.41Å; I106-E123 VanDerWaalsContact CD1-CG 3.41Å; I106-E123 WeakPolarHBondContact CD1-O 3.48Å; I106-E123 HydrophobicContact CG1-CG 3.88Å; I106-T185 HydrophobicContact CB-CG2 3.94Å; I106-T185 HydrophobicContact CD1-CG2 3.77Å; I106-T185 VanDerWaalsContact N-CG2 3.34Å; I106-L186 PolarHBondContact N-O 3.34Å; I106-I187 HydrophobicContact CB-CG2 3.79Å; I106-I187 HydrophobicContact CD1-CG2 4.17Å; I106-I187 HydrophobicContact CG1-CG2 4.08Å; I106-I187 HydrophobicContact CG2-CB 4.36Å; I106-I187 HydrophobicContact CG2-CG2 4Å
107	K	97.7	Very high	96.4	Very high	54 Å²	54	56 Å²	56	24%	0.235	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-87.3	132.6	-178.4	-66.5	173.8	-165.9	177.5	0	111.8	S100 F102 V105 L109 M122 E123	S100-K107 WeakPolarHBondContact O-CE 2.96Å; F102-K107 WeakPolarHBondContact O-CE 3.45Å; V105-K107 PolarHBondContact O-N 2.85Å; K107-L109 PolarHBondContact O-N 3.05Å; K107-M122 CarbonylContact O-C 3.6Å; K107-M122 WeakPolarHBondContact O-CA 3.28Å; K107-E123 HydrophobicContact CB-CG 4.22Å; K107-E123 WeakPolarHBondContact CB-OE1 3.38Å; K107-E123 WeakPolarHBondContact CG-OE1 3.47Å; K107-E123 PolarHBondContact N-OE1 3.06Å; K107-E123 PolarHBondContact O-N 3.06Å
108	L	98.4	Very high	96.4	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119.7	161.7	-175.8	68.6	0	0	0	108.9	I92 L95 K96 S99 D110 I120	I92-L108 HydrophobicContact CG2-CD2 4.15Å; L95-L108 HydrophobicContact CB-CB 4.02Å; L95-L108 HydrophobicContact CB-CD2 4.32Å; L95-L108 HydrophobicContact CD1-CD1 4.37Å; K96-L108 HydrophobicContact CB-CD2 4.08Å; S99-L108 WeakPolarHBondContact OG-CB 3.31Å; S99-L108 PolarHBondContact OG-N 3.39Å; L108-D110 VanDerWaalsContact CD1-O 3.28Å; L108-D110 WeakPolarHBondContact CD1-O 3.28Å; L108-I120 HydrophobicContact CD1-CG2 3.48Å; L108-I120 VanDerWaalsContact CD1-CG2 3.48Å
109	L	97.8	Very high	96.4	Very high	67 Å²	67	52.2 Å²	52.2	35%	0.351	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-44.5	172	-58.4	-179.9	0	0	0	110.1	V67 K107 V121 E123	V67-L109 HydrophobicContact CG1-CD1 3.61Å; K107-L109 PolarHBondContact O-N 3.05Å; L109-V121 HydrophobicContact CB-CG1 4.35Å; L109-V121 PolarHBondContact N-O 2.98Å; L109-E123 HydrophobicContact CD1-CB 4.41Å
110	D	97.4	Very high	96.5	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.171	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	174.3	-178.7	-148.4	4.7	0	0	0	114.3	K34 Y41 L108 Y112 V121	K34-D110 VanDerWaalsContact CE-CG 3.49Å; K34-D110 VanDerWaalsContact CE-OD1 3.24Å; K34-D110 WeakPolarHBondContact CE-OD1 3.4Å; K34-D110 WeakPolarHBondContact CE-OD2 3.44Å; K34-D110 IonicContact NZ-OD1 2.8Å; K34-D110 PolarHBondContact NZ-OD1 3.32Å; K34-D110 IonicContact NZ-OD2 3.69Å; K34-D110 PolarHBondContact NZ-OD2 3.45Å; K34-D110 VanDerWaalsContact NZ-OD2 3.15Å; Y41-D110 HydrophobicContact CE2-CB 4.47Å; L108-D110 VanDerWaalsContact CD1-O 3.28Å; L108-D110 WeakPolarHBondContact CD1-O 3.28Å; D110-Y112 HydrophobicContact CB-CE2 4.19Å; D110-Y112 WeakPolarHBondContact OD2-CE2 3.31Å; D110-Y112 PolarHBondContact OD2-OH 3.07Å; D110-V121 HydrophobicContact CB-CB 4.12Å; D110-V121 HydrophobicContact CB-CG2 4.38Å; D110-V121 PolarHBondContact N-O 2.94Å; D110-V121 WeakPolarHBondContact O-CA 3.45Å; D110-V121 WeakPolarHBondContact O-CB 3.32Å; D110-V121 PolarHBondContact O-N 3.25Å
111	W	97.8	Very high	96.8	Very high	56 Å²	56	48.1 Å²	48.1	21%	0.212	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.3	170.8	63.2	-92.9	0	0	0	113.6	K34 V86 V88 I92 W118 L119	K34-W111 PolarHBondContact NZ-O 3.41Å; V86-W111 HydrophobicContact CG1-CH2 4.24Å; V88-W111 HydrophobicContact CG1-CH2 3.83Å; V88-W111 HydrophobicContact CG1-CZ2 3.95Å; V88-W111 HydrophobicContact CG1-CZ3 4.26Å; I92-W111 HydrophobicContact CD1-CB 3.8Å; I92-W111 HydrophobicContact CD1-CD2 4.2Å; I92-W111 HydrophobicContact CD1-CE3 4.48Å; I92-W111 HydrophobicContact CD1-CG 3.93Å; I92-W111 HydrophobicContact CG1-CB 4.47Å; I92-W111 HydrophobicContact CG2-CB 4.37Å; I92-W111 HydrophobicContact CG2-CD2 4.42Å; I92-W111 HydrophobicContact CG2-CG 3.86Å; W111-W118 HydrophobicContact CD2-CZ3 4.48Å; W111-W118 AromaticContact CE3-CE3 3.88Å; W111-W118 HydrophobicContact CE3-CE3 3.88Å; W111-W118 AromaticContact CE3-CZ3 3.48Å; W111-W118 HydrophobicContact CE3-CZ3 3.48Å; W111-W118 VanDerWaalsContact CE3-CZ3 3.48Å; W111-W118 HydrophobicContact CH2-CZ3 4.2Å; W111-W118 HydrophobicContact CZ3-CE3 4.18Å; W111-W118 HydrophobicContact CZ3-CH2 4.17Å; W111-W118 AromaticContact CZ3-CZ3 3.35Å; W111-W118 HydrophobicContact CZ3-CZ3 3.35Å; W111-L119 CarbonylContact C-O 3.58Å; W111-L119 WeakPolarHBondContact CA-O 3.41Å; W111-L119 WeakPolarHBondContact CB-O 3.49Å
112	Y	97.6	Very high	97.1	Very high	21 Å²	21	43.4 Å²	43.4	8%	0.082	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.9	180	-63.3	-99	0	0	0	111	K34 E35 F37 Y41 D110 W118 L119 V121	K34-Y112 HydrophobicContact CD-CE1 4.09Å; K34-Y112 HydrophobicContact CG-CE1 4.43Å; E35-Y112 WeakPolarHBondContact O-CE1 3.46Å; F37-Y112 HydrophobicContact CB-CD1 3.85Å; F37-Y112 HydrophobicContact CB-CD2 4.23Å; F37-Y112 HydrophobicContact CB-CE1 3.95Å; F37-Y112 HydrophobicContact CB-CE2 4.35Å; F37-Y112 HydrophobicContact CB-CG 3.98Å; F37-Y112 AromaticContact CD2-CD2 3.65Å; F37-Y112 HydrophobicContact CD2-CD2 3.65Å; F37-Y112 AromaticContact CD2-CE2 3.7Å; F37-Y112 HydrophobicContact CD2-CE2 3.7Å; F37-Y112 HydrophobicContact CD2-CG 4.22Å; F37-Y112 HydrophobicContact CG-CD2 4.39Å; Y41-Y112 HydrophobicContact CD2-CE2 4.16Å; Y41-Y112 AromaticContact CE2-CE2 3.84Å; Y41-Y112 HydrophobicContact CE2-CE2 3.84Å; D110-Y112 HydrophobicContact CB-CE2 4.19Å; D110-Y112 WeakPolarHBondContact OD2-CE2 3.31Å; D110-Y112 PolarHBondContact OD2-OH 3.07Å; Y112-W118 CarbonylContact O-C 3.57Å; Y112-W118 WeakPolarHBondContact O-CA 3.43Å; Y112-L119 PolarHBondContact N-O 2.74Å; Y112-L119 PolarHBondContact O-N 2.95Å; Y112-V121 HydrophobicContact CD2-CG2 4.28Å; Y112-V121 HydrophobicContact CE2-CG2 4.25Å
113	E	96.4	Very high	97.1	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.491	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.5	166.2	-171.9	-178.2	179	0	0	109.4	K74 W118	K74-E113 IonicContact NZ-OE1 2.81Å; K74-E113 PolarHBondContact NZ-OE1 3.06Å; E113-W118 HydrophobicContact CB-CD2 4.44Å; E113-W118 HydrophobicContact CB-CE3 4.14Å; E113-W118 HydrophobicContact CB-CH2 3.88Å; E113-W118 HydrophobicContact CB-CZ2 4.2Å; E113-W118 HydrophobicContact CB-CZ3 3.89Å; E113-W118 HydrophobicContact CG-CD2 4.41Å; E113-W118 HydrophobicContact CG-CH2 3.96Å; E113-W118 HydrophobicContact CG-CZ2 3.79Å; E113-W118 HydrophobicContact CG-CZ3 4.38Å
114	R	94.2	Very high	97.2	Very high	91 Å²	91	38 Å²	38	34%	0.343	19%	0.187	S	C	.	.			trans	-123.6	165.4	171	-66	-177.4	71.9	-128.3	1.8	110.1	K74 D116 G117 L119	K74-R114 WeakPolarHBondContact CE-O 3.43Å; K74-R114 PolarHBondContact NZ-O 3.31Å; R114-D116 WeakPolarHBondContact CB-OD1 3.36Å; R114-D116 IonicContact CZ-OD1 2.88Å; R114-D116 IonicContact CZ-OD2 2.84Å; R114-D116 IonicContact NE-OD1 3.96Å; R114-D116 VanDerWaalsContact NH1-CG 3.33Å; R114-D116 IonicContact NH1-OD1 2.66Å; R114-D116 PolarHBondContact NH1-OD1 2.89Å; R114-D116 IonicContact NH1-OD2 3.53Å; R114-D116 PolarHBondContact NH1-OD2 3.42Å; R114-D116 IonicContact NH2-OD2 2.74Å; R114-D116 PolarHBondContact O-N 3.37Å; R114-G117 PolarHBondContact N-O 2.82Å; R114-G117 PolarHBondContact O-N 2.64Å; R114-G117 VanDerWaalsContact O-O 3.07Å; R114-L119 HydrophobicContact CG-CD1 4.45Å; R114-L119 HydrophobicContact CG-CG 4.35Å
115	P	95.2	Very high	96.9	Very high	120 Å²	120	38.8 Å²	38.8	78%	0.779	19%	0.19	S	C	*	.	S	Bend	trans	-56.3	-37	174.5	-26.9	36.3	0	0	0	113.4
116	D	94.8	Very high	96.4	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	22%	0.222	S	C	.	.	S	Bend	trans	-92.7	-13.4	-175.4	57.8	-23.3	0	0	0	114.4	H71 P73 K74 R114	H71-D116 IonicContact CE1-OD2 3.5Å; H71-D116 IonicContact NE2-OD1 3.8Å; H71-D116 IonicContact NE2-OD2 3.4Å; P73-D116 WeakPolarHBondContact CA-O 3.45Å; K74-D116 PolarHBondContact N-O 2.96Å; K74-D116 VanDerWaalsContact N-O 3.12Å; R114-D116 WeakPolarHBondContact CB-OD1 3.36Å; R114-D116 IonicContact CZ-OD1 2.88Å; R114-D116 IonicContact CZ-OD2 2.84Å; R114-D116 IonicContact NE-OD1 3.96Å; R114-D116 VanDerWaalsContact NH1-CG 3.33Å; R114-D116 IonicContact NH1-OD1 2.66Å; R114-D116 PolarHBondContact NH1-OD1 2.89Å; R114-D116 IonicContact NH1-OD2 3.53Å; R114-D116 PolarHBondContact NH1-OD2 3.42Å; R114-D116 IonicContact NH2-OD2 2.74Å; R114-D116 PolarHBondContact O-N 3.37Å
117	G	96.4	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-155.4	-172.1	0	0	0	0	0	114.4	V72 R114	V72-G117 CarbonylContact O-C 3.48Å; V72-G117 WeakPolarHBondContact O-CA 3.3Å; R114-G117 PolarHBondContact N-O 2.82Å; R114-G117 PolarHBondContact O-N 2.64Å; R114-G117 VanDerWaalsContact O-O 3.07Å
118	W	98	Very high	96	Very high	2 Å²	2	50 Å²	50	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.4	178.4	-65.8	82.2	0	0	0	109.6	H71 V72 W80 M87 V88 P89 I92 W111 Y112 E113	H71-W118 CarbonylContact C-O 3.56Å; H71-W118 VanDerWaalsContact CA-O 3.31Å; H71-W118 WeakPolarHBondContact CA-O 3.24Å; H71-W118 PolarHBondContact CD2-O 2.95Å; V72-W118 PolarHBondContact N-O 3.46Å; V72-W118 PolarHBondContact O-N 2.9Å; W80-W118 HydrophobicContact CH2-CZ2 4.41Å; W80-W118 AromaticContact CH2-NE1 3.58Å; W80-W118 AromaticContact CZ3-CE2 3.99Å; W80-W118 AromaticContact CZ3-CZ2 3.82Å; W80-W118 HydrophobicContact CZ3-CZ2 3.82Å; W80-W118 AromaticContact CZ3-NE1 3.74Å; M87-W118 WeakPolarHBondContact O-CH2 3.42Å; V88-W118 HydrophobicContact CB-CH2 4.2Å; V88-W118 HydrophobicContact CB-CZ3 4.09Å; V88-W118 HydrophobicContact CG1-CH2 3.83Å; V88-W118 HydrophobicContact CG1-CZ3 3.72Å; P89-W118 VanDerWaalsContact CD-CE2 3.42Å; P89-W118 HydrophobicContact CG-CB 4.14Å; P89-W118 HydrophobicContact CG-CD2 3.69Å; P89-W118 HydrophobicContact CG-CE3 4.3Å; P89-W118 HydrophobicContact CG-CG 3.53Å; I92-W118 HydrophobicContact CD1-CE3 3.75Å; I92-W118 HydrophobicContact CD1-CZ3 4.28Å; W111-W118 HydrophobicContact CD2-CZ3 4.48Å; W111-W118 AromaticContact CE3-CE3 3.88Å; W111-W118 HydrophobicContact CE3-CE3 3.88Å; W111-W118 AromaticContact CE3-CZ3 3.48Å; W111-W118 HydrophobicContact CE3-CZ3 3.48Å; W111-W118 VanDerWaalsContact CE3-CZ3 3.48Å; W111-W118 HydrophobicContact CH2-CZ3 4.2Å; W111-W118 HydrophobicContact CZ3-CE3 4.18Å; W111-W118 HydrophobicContact CZ3-CH2 4.17Å; W111-W118 AromaticContact CZ3-CZ3 3.35Å; W111-W118 HydrophobicContact CZ3-CZ3 3.35Å; Y112-W118 CarbonylContact O-C 3.57Å; Y112-W118 WeakPolarHBondContact O-CA 3.43Å; E113-W118 HydrophobicContact CB-CD2 4.44Å; E113-W118 HydrophobicContact CB-CE3 4.14Å; E113-W118 HydrophobicContact CB-CH2 3.88Å; E113-W118 HydrophobicContact CB-CZ2 4.2Å; E113-W118 HydrophobicContact CB-CZ3 3.89Å; E113-W118 HydrophobicContact CG-CD2 4.41Å; E113-W118 HydrophobicContact CG-CH2 3.96Å; E113-W118 HydrophobicContact CG-CZ2 3.79Å; E113-W118 HydrophobicContact CG-CZ3 4.38Å
119	L	98.3	Very high	95.9	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.9	166	-57.9	-179.9	0	0	0	108.5	F37 V69 K70 H71 W111 Y112 R114	F37-L119 HydrophobicContact CB-CD1 4.45Å; F37-L119 HydrophobicContact CD1-CD1 3.79Å; F37-L119 HydrophobicContact CD2-CD1 3.76Å; F37-L119 HydrophobicContact CE1-CD1 3.91Å; F37-L119 HydrophobicContact CE2-CD1 3.87Å; F37-L119 HydrophobicContact CG-CD1 3.72Å; F37-L119 HydrophobicContact CZ-CD1 3.95Å; V69-L119 HydrophobicContact CG1-CB 4.18Å; V69-L119 HydrophobicContact CG1-CD1 4.48Å; V69-L119 HydrophobicContact CG1-CD2 4.05Å; V69-L119 HydrophobicContact CG1-CG 4.48Å; K70-L119 CarbonylContact O-C 3.6Å; K70-L119 WeakPolarHBondContact O-CA 3.46Å; H71-L119 HydrophobicContact CB-CD2 3.88Å; W111-L119 CarbonylContact C-O 3.58Å; W111-L119 WeakPolarHBondContact CA-O 3.41Å; W111-L119 WeakPolarHBondContact CB-O 3.49Å; Y112-L119 PolarHBondContact N-O 2.74Å; Y112-L119 PolarHBondContact O-N 2.95Å; R114-L119 HydrophobicContact CG-CD1 4.45Å; R114-L119 HydrophobicContact CG-CG 4.35Å
120	I	98.4	Very high	95.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.7	174.9	-51.5	179.1	0	0	0	106.6	K70 V72 E91 I92 L95 L108 M122	K70-I120 HydrophobicContact CB-CB 4.3Å; K70-I120 PolarHBondContact N-O 2.94Å; K70-I120 PolarHBondContact O-N 3.48Å; V72-I120 HydrophobicContact CG2-CD1 4.06Å; E91-I120 HydrophobicContact CB-CD1 4.38Å; E91-I120 HydrophobicContact CG-CD1 4.07Å; I92-I120 HydrophobicContact CD1-CD1 4.46Å; I92-I120 HydrophobicContact CD1-CG1 4.16Å; I92-I120 HydrophobicContact CG1-CD1 3.81Å; I92-I120 HydrophobicContact CG1-CG1 3.9Å; L95-I120 HydrophobicContact CD1-CG2 3.73Å; L108-I120 HydrophobicContact CD1-CG2 3.48Å; L108-I120 VanDerWaalsContact CD1-CG2 3.48Å; I120-M122 HydrophobicContact CG2-CG 4.24Å; I120-M122 HydrophobicContact CG2-SD 4.42Å
121	V	98.6	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	-176.3	-172.3	0	0	0	0	108.9	F37 Y41 V67 A68 L109 D110 Y112	F37-V121 HydrophobicContact CD2-CG2 4.48Å; F37-V121 HydrophobicContact CE2-CG2 4.01Å; Y41-V121 HydrophobicContact CD1-CG1 4.15Å; Y41-V121 HydrophobicContact CD2-CG2 4.49Å; Y41-V121 HydrophobicContact CE1-CG1 3.72Å; Y41-V121 HydrophobicContact CE2-CG1 4.38Å; Y41-V121 HydrophobicContact CE2-CG2 4.31Å; V67-V121 HydrophobicContact CB-CG1 3.96Å; V67-V121 HydrophobicContact CG1-CG1 4.14Å; V67-V121 HydrophobicContact CG2-CG1 4.18Å; A68-V121 WeakPolarHBondContact O-CA 3.48Å; L109-V121 HydrophobicContact CB-CG1 4.35Å; L109-V121 PolarHBondContact N-O 2.98Å; D110-V121 HydrophobicContact CB-CB 4.12Å; D110-V121 HydrophobicContact CB-CG2 4.38Å; D110-V121 PolarHBondContact N-O 2.94Å; D110-V121 WeakPolarHBondContact O-CA 3.45Å; D110-V121 WeakPolarHBondContact O-CB 3.32Å; D110-V121 PolarHBondContact O-N 3.25Å; Y112-V121 HydrophobicContact CD2-CG2 4.28Å; Y112-V121 HydrophobicContact CE2-CG2 4.25Å
122	M	98.4	Very high	95.9	Very high	15 Å²	15	50 Å²	50	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	159.7	-176.5	-63	167.2	-69.9	0	0	110.6	V67 A68 K70 L95 I106 K107 I120	V67-M122 CarbonylContact C-O 3.56Å; V67-M122 VanDerWaalsContact CA-O 3.3Å; V67-M122 WeakPolarHBondContact CA-O 3.28Å; V67-M122 WeakPolarHBondContact CB-O 3.49Å; A68-M122 HydrophobicContact CB-CE 4.45Å; A68-M122 PolarHBondContact N-O 2.84Å; A68-M122 PolarHBondContact O-N 3.28Å; K70-M122 HydrophobicContact CB-CE 3.74Å; K70-M122 HydrophobicContact CD-CE 4.48Å; L95-M122 HydrophobicContact CD1-SD 4.1Å; I106-M122 HydrophobicContact CG1-CB 4.1Å; I106-M122 HydrophobicContact CG2-SD 4.13Å; K107-M122 CarbonylContact O-C 3.6Å; K107-M122 WeakPolarHBondContact O-CA 3.28Å; I120-M122 HydrophobicContact CG2-CG 4.24Å; I120-M122 HydrophobicContact CG2-SD 4.42Å
123	E	96.5	Very high	95.9	Very high	52 Å²	52	52.2 Å²	52.2	24%	0.243	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	153.1	168	72.8	-168.8	155.7	0	0	110.5	I106 K107 L109	I106-E123 HydrophobicContact CD1-CG 3.41Å; I106-E123 VanDerWaalsContact CD1-CG 3.41Å; I106-E123 WeakPolarHBondContact CD1-O 3.48Å; I106-E123 HydrophobicContact CG1-CG 3.88Å; K107-E123 HydrophobicContact CB-CG 4.22Å; K107-E123 WeakPolarHBondContact CB-OE1 3.38Å; K107-E123 WeakPolarHBondContact CG-OE1 3.47Å; K107-E123 PolarHBondContact N-OE1 3.06Å; K107-E123 PolarHBondContact O-N 3.06Å; L109-E123 HydrophobicContact CD1-CB 4.41Å
124	R	95.6	Very high	96	Very high	55 Å²	55	48.9 Å²	48.9	21%	0.208	25%	0.245	C	C	.	.			trans	-136.5	112.2	174.9	-175.3	174.4	63.2	79.9	-6.2	110.6	L66 V67 A68	L66-R124 HydrophobicContact CB-CB 4.43Å; L66-R124 PolarHBondContact O-N 2.79Å; V67-R124 VanDerWaalsContact C-CB 3.41Å; V67-R124 WeakPolarHBondContact O-CD 3.38Å; V67-R124 PolarHBondContact O-NE 3.23Å; A68-R124 HydrophobicContact CB-CB 4.16Å; A68-R124 HydrophobicContact CB-CG 4.46Å
125	P	91.7	Very high	96.1	Very high	28 Å²	28	44.8 Å²	44.8	18%	0.182	23%	0.23	C	C	.	.			trans	-61.3	146.8	170.5	-19.3	31.9	0	0	0	111	V128	P125-V128 HydrophobicContact CB-CB 4.04Å; P125-V128 HydrophobicContact CB-CG2 4.19Å; P125-V128 HydrophobicContact CG-CG2 4.43Å
126	E	87.4	Confident	96.2	Very high	143 Å²	143	43.5 Å²	43.5	67%	0.668	22%	0.22	S	C	*	.	S	Bend	trans	-80.7	-51.2	-171.4	-173.6	173.9	-167.1	0	0	112.9	L66	L66-E126 HydrophobicContact CD1-CB 3.78Å; L66-E126 HydrophobicContact CD1-CG 3.72Å
127	L	92.9	Very high	96.3	Very high	105 Å²	105	46.2 Å²	46.2	55%	0.55	23%	0.23	S	C	.	.	S	Bend	trans	-105.7	78.7	-179.5	-66.1	179.5	0	0	0	109.7	L179	L127-L179 PolarHBondContact O-N 3.33Å
128	V	94.4	Very high	96.2	Very high	48 Å²	48	53.3 Å²	53.3	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.6	-170.4	75.2	0	0	0	0	111.8	P125 L176 V177	P125-V128 HydrophobicContact CB-CB 4.04Å; P125-V128 HydrophobicContact CB-CG2 4.19Å; P125-V128 HydrophobicContact CG-CG2 4.43Å; V128-L176 HydrophobicContact CG2-CB 3.58Å; V128-L176 HydrophobicContact CG2-CD1 4.08Å; V128-L176 HydrophobicContact CG2-CD2 4.15Å; V128-L176 HydrophobicContact CG2-CG 4.15Å; V128-V177 WeakPolarHBondContact CA-O 3.48Å; V128-V177 WeakPolarHBondContact CG2-O 3.26Å
129	K	95.4	Very high	96.1	Very high	46 Å²	46	54.6 Å²	54.6	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.8	171.7	-172	170.6	-69.3	-161.3	0	108.1	D133 F134 E137 V177 L179	K129-D133 HydrophobicContact CD-CB 3.74Å; K129-D133 HydrophobicContact CG-CB 3.57Å; K129-F134 HydrophobicContact CD-CB 4.39Å; K129-E137 IonicContact NZ-OE1 2.67Å; K129-E137 PolarHBondContact NZ-OE1 2.92Å; K129-E137 IonicContact NZ-OE2 3.45Å; K129-E137 PolarHBondContact NZ-OE2 3.4Å; K129-V177 PolarHBondContact N-O 3.23Å; K129-V177 VanDerWaalsContact N-O 3.14Å; K129-V177 PolarHBondContact O-N 2.92Å; K129-L179 HydrophobicContact CB-CD1 4.33Å; K129-L179 HydrophobicContact CB-CD2 4.19Å; K129-L179 HydrophobicContact CB-CG 4.45Å
130	D	97.3	Very high	96.1	Very high	44 Å²	44	55 Å²	55	24%	0.235	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	158.4	168.8	58.9	61.2	0	0	0	111	F132 D133 F134 L175 L176	D130-F132 PolarHBondContact O-N 3.06Å; D130-F132 WeakPolarHBondContact OD1-CB 3.38Å; D130-F132 PolarHBondContact OD1-N 3.45Å; D130-D133 PolarHBondContact O-N 3.17Å; D130-D133 WeakPolarHBondContact OD1-CB 3Å; D130-D133 PolarHBondContact OD1-N 3.06Å; D130-F134 WeakPolarHBondContact O-CB 3.35Å; D130-F134 PolarHBondContact O-N 3.28Å; D130-F134 VanDerWaalsContact O-N 3.07Å; D130-L175 CarbonylContact C-O 3.48Å; D130-L175 VanDerWaalsContact CA-O 3.26Å; D130-L175 WeakPolarHBondContact CA-O 3.37Å; D130-L176 HydrophobicContact CB-CD2 4.07Å
131	L	98.4	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.2	-26.5	-175.3	-177.6	65.3	0	0	0	111.2	F134 I135 L141 F149 D172 L175 V177 L233 M237	L131-F134 HydrophobicContact CD1-CB 4.37Å; L131-F134 HydrophobicContact CD1-CD1 4.24Å; L131-F134 WeakPolarHBondContact O-CB 3.4Å; L131-F134 PolarHBondContact O-N 3.42Å; L131-I135 HydrophobicContact CD1-CD1 4.15Å; L131-I135 HydrophobicContact CD1-CG1 4.15Å; L131-I135 HydrophobicContact CD2-CD1 4.3Å; L131-I135 HydrophobicContact CG-CD1 3.8Å; L131-I135 HydrophobicContact CG-CG1 4.24Å; L131-I135 WeakPolarHBondContact O-CB 3.45Å; L131-I135 VanDerWaalsContact O-CG1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 2.85Å; L131-L141 HydrophobicContact CD1-CD1 4.44Å; L131-F149 HydrophobicContact CD1-CD2 3.78Å; L131-F149 HydrophobicContact CD1-CE2 3.84Å; L131-D172 HydrophobicContact CB-CB 4.11Å; L131-D172 WeakPolarHBondContact CB-O 3.23Å; L131-D172 HydrophobicContact CD2-CB 4.21Å; L131-D172 HydrophobicContact CG-CB 4.14Å; L131-D172 PolarHBondContact N-O 2.83Å; L131-L175 HydrophobicContact CB-CB 3.98Å; L131-L175 HydrophobicContact CD2-CB 4.41Å; L131-L175 HydrophobicContact CD2-CD1 3.92Å; L131-L175 PolarHBondContact N-O 3.13Å; L131-V177 HydrophobicContact CB-CG2 4.29Å; L131-V177 HydrophobicContact CD1-CG2 3.99Å; L131-L233 HydrophobicContact CD2-CD1 4.21Å; L131-M237 HydrophobicContact CD2-CE 3.44Å; L131-M237 VanDerWaalsContact CD2-CE 3.44Å; L131-M237 HydrophobicContact CD2-CG 4.33Å
132	F	98.1	Very high	96	Very high	91 Å²	91	59.9 Å²	59.9	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-53.7	174.7	173.2	-88.6	0	0	0	111.1	D130 F134 I135 T136 D172 E173	D130-F132 PolarHBondContact O-N 3.06Å; D130-F132 WeakPolarHBondContact OD1-CB 3.38Å; D130-F132 PolarHBondContact OD1-N 3.45Å; F132-F134 VanDerWaalsContact C-N 3.27Å; F132-F134 PolarHBondContact O-N 2.79Å; F132-I135 PolarHBondContact O-N 2.89Å; F132-T136 VanDerWaalsContact O-CB 3.3Å; F132-T136 WeakPolarHBondContact O-CB 3.16Å; F132-T136 PolarHBondContact O-N 3.36Å; F132-T136 PolarHBondContact O-OG1 2.95Å; F132-D172 WeakPolarHBondContact CA-OD2 3.42Å; F132-D172 HydrophobicContact CB-CB 4.31Å; F132-D172 WeakPolarHBondContact CB-OD2 3.37Å; F132-D172 VanDerWaalsContact CD2-OD2 3.28Å; F132-D172 WeakPolarHBondContact CD2-OD2 3.2Å; F132-E173 HydrophobicContact CB-CG 3.92Å; F132-E173 HydrophobicContact CD2-CG 4.25Å; F132-E173 HydrophobicContact CG-CG 4.13Å
133	D	97.5	Very high	96	Very high	69 Å²	69	61.3 Å²	61.3	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-36.3	176.9	-83.8	-10.3	0	0	0	110.8	K129 D130 T136 E137	K129-D133 HydrophobicContact CD-CB 3.74Å; K129-D133 HydrophobicContact CG-CB 3.57Å; D130-D133 PolarHBondContact O-N 3.17Å; D130-D133 WeakPolarHBondContact OD1-CB 3Å; D130-D133 PolarHBondContact OD1-N 3.06Å; D133-T136 PolarHBondContact O-N 3.31Å; D133-E137 WeakPolarHBondContact O-CB 3.19Å; D133-E137 WeakPolarHBondContact O-CG 2.94Å; D133-E137 PolarHBondContact O-N 2.95Å
134	F	97.8	Very high	96	Very high	35 Å²	35	65.9 Å²	65.9	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-47.4	176	-171.3	-82.9	0	0	0	112.1	K129 D130 L131 F132 K138 L141 F149 V177 L179	K129-F134 HydrophobicContact CD-CB 4.39Å; D130-F134 WeakPolarHBondContact O-CB 3.35Å; D130-F134 PolarHBondContact O-N 3.28Å; D130-F134 VanDerWaalsContact O-N 3.07Å; L131-F134 HydrophobicContact CD1-CB 4.37Å; L131-F134 HydrophobicContact CD1-CD1 4.24Å; L131-F134 WeakPolarHBondContact O-CB 3.4Å; L131-F134 PolarHBondContact O-N 3.42Å; F132-F134 VanDerWaalsContact C-N 3.27Å; F132-F134 PolarHBondContact O-N 2.79Å; F134-K138 HydrophobicContact CD1-CG 4.29Å; F134-K138 HydrophobicContact CE1-CG 4.06Å; F134-K138 HydrophobicContact CZ-CG 4.36Å; F134-K138 VanDerWaalsContact O-CB 3.32Å; F134-K138 WeakPolarHBondContact O-CB 3.49Å; F134-K138 VanDerWaalsContact O-CG 3.3Å; F134-K138 WeakPolarHBondContact O-CG 3.2Å; F134-K138 PolarHBondContact O-N 2.73Å; F134-L141 HydrophobicContact CD1-CD2 3.95Å; F134-L141 HydrophobicContact CE1-CD2 3.67Å; F134-F149 HydrophobicContact CD1-CE2 4.28Å; F134-F149 AromaticContact CE1-CE2 3.92Å; F134-F149 HydrophobicContact CE1-CE2 3.92Å; F134-F149 HydrophobicContact CE1-CZ 4.39Å; F134-F149 HydrophobicContact CZ-CE2 4.27Å; F134-F149 HydrophobicContact CZ-CZ 4.28Å; F134-V177 HydrophobicContact CD2-CG1 4.35Å; F134-V177 HydrophobicContact CD2-CG2 4.48Å; F134-V177 HydrophobicContact CE2-CG1 4.35Å; F134-V177 HydrophobicContact CG-CG2 4.5Å; F134-L179 HydrophobicContact CD2-CD2 3.99Å; F134-L179 HydrophobicContact CE2-CD2 4.09Å
135	I	98	Very high	96.1	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-40.3	177.1	-69.2	169.9	0	0	0	110.6	L131 F132 E137 K138 G139 L141 D236 M237	L131-I135 HydrophobicContact CD1-CD1 4.15Å; L131-I135 HydrophobicContact CD1-CG1 4.15Å; L131-I135 HydrophobicContact CD2-CD1 4.3Å; L131-I135 HydrophobicContact CG-CD1 3.8Å; L131-I135 HydrophobicContact CG-CG1 4.24Å; L131-I135 WeakPolarHBondContact O-CB 3.45Å; L131-I135 VanDerWaalsContact O-CG1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 2.85Å; F132-I135 PolarHBondContact O-N 2.89Å; I135-E137 VanDerWaalsContact C-N 3.29Å; I135-E137 PolarHBondContact O-N 2.83Å; I135-K138 PolarHBondContact O-N 3.45Å; I135-G139 CarbonylContact O-C 3.58Å; I135-G139 WeakPolarHBondContact O-CA 3.47Å; I135-G139 PolarHBondContact O-N 2.67Å; I135-L141 HydrophobicContact CG1-CD1 4.21Å; I135-L141 HydrophobicContact CG1-CD2 4.3Å; I135-L141 HydrophobicContact CG1-CG 4.2Å; I135-D236 WeakPolarHBondContact CD1-OD2 3.44Å; I135-M237 HydrophobicContact CD1-CG 4.29Å
136	T	97.1	Very high	96.4	Very high	92 Å²	92	64.2 Å²	64.2	56%	0.564	33%	0.329	S	S	*	.	H	α-helix	trans	-58.2	-41.6	177.7	-64.9	0	0	0	0	111.6	F132 D133	F132-T136 VanDerWaalsContact O-CB 3.3Å; F132-T136 WeakPolarHBondContact O-CB 3.16Å; F132-T136 PolarHBondContact O-N 3.36Å; F132-T136 PolarHBondContact O-OG1 2.95Å; D133-T136 PolarHBondContact O-N 3.31Å
137	E	96.4	Very high	96.9	Very high	128 Å²	128	59.2 Å²	59.2	60%	0.598	30%	0.304	S	S	*	.	H	α-helix	trans	-78.3	-39.5	179.1	-73.1	178.6	-173.8	0	0	113.9	K129 D133 I135	K129-E137 IonicContact NZ-OE1 2.67Å; K129-E137 PolarHBondContact NZ-OE1 2.92Å; K129-E137 IonicContact NZ-OE2 3.45Å; K129-E137 PolarHBondContact NZ-OE2 3.4Å; D133-E137 WeakPolarHBondContact O-CB 3.19Å; D133-E137 WeakPolarHBondContact O-CG 2.94Å; D133-E137 PolarHBondContact O-N 2.95Å; I135-E137 VanDerWaalsContact C-N 3.29Å; I135-E137 PolarHBondContact O-N 2.83Å
138	K	94.4	Very high	97.2	Very high	150 Å²	150	55.3 Å²	55.3	65%	0.652	29%	0.29	S	S	*	.	H	α-helix	trans	-85.4	-20.4	-176.5	-67.1	-68.8	-175.5	177.1	0	113.1	F134 I135 L141	F134-K138 HydrophobicContact CD1-CG 4.29Å; F134-K138 HydrophobicContact CE1-CG 4.06Å; F134-K138 HydrophobicContact CZ-CG 4.36Å; F134-K138 VanDerWaalsContact O-CB 3.32Å; F134-K138 WeakPolarHBondContact O-CB 3.49Å; F134-K138 VanDerWaalsContact O-CG 3.3Å; F134-K138 WeakPolarHBondContact O-CG 3.2Å; F134-K138 PolarHBondContact O-N 2.73Å; I135-K138 PolarHBondContact O-N 3.45Å; K138-L141 HydrophobicContact CB-CD2 4.39Å
139	G	96.2	Very high	97.4	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	28%	0.279	S	S	.	.			trans	68.5	-166.8	-158.5	0	0	0	0	0	111.3	I135 L141	I135-G139 CarbonylContact O-C 3.58Å; I135-G139 WeakPolarHBondContact O-CA 3.47Å; I135-G139 PolarHBondContact O-N 2.67Å; G139-L141 PolarHBondContact O-N 3.21Å
140	A	97.5	Very high	97.5	Very high	20 Å²	20	51.6 Å²	51.6	17%	0.165	27%	0.27	C	S	.	.	S	Bend	trans	-56.4	138.8	179	0	0	0	0	0	112.6	V238 G240	A140-V238 WeakPolarHBondContact CB-O 3.5Å; A140-G240 VanDerWaalsContact CB-N 3.3Å
141	L	98	Very high	97.6	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-76.7	149.3	-176.6	-51.2	-177	0	0	0	110.6	L131 F134 I135 K138 G139 T145 A146 F149 M237	L131-L141 HydrophobicContact CD1-CD1 4.44Å; F134-L141 HydrophobicContact CD1-CD2 3.95Å; F134-L141 HydrophobicContact CE1-CD2 3.67Å; I135-L141 HydrophobicContact CG1-CD1 4.21Å; I135-L141 HydrophobicContact CG1-CD2 4.3Å; I135-L141 HydrophobicContact CG1-CG 4.2Å; K138-L141 HydrophobicContact CB-CD2 4.39Å; G139-L141 PolarHBondContact O-N 3.21Å; L141-T145 HydrophobicContact CD1-CG2 4.38Å; L141-A146 HydrophobicContact CB-CB 4.27Å; L141-F149 HydrophobicContact CD1-CD2 3.92Å; L141-F149 HydrophobicContact CD1-CE2 4.2Å; L141-M237 WeakPolarHBondContact CB-O 3.5Å; L141-M237 HydrophobicContact CD1-CB 4.19Å; L141-M237 HydrophobicContact CD1-CG 4.29Å; L141-M237 WeakPolarHBondContact CG-O 3.38Å; L141-M237 PolarHBondContact N-O 2.91Å
142	D	97.3	Very high	97.6	Very high	88 Å²	88	54.8 Å²	54.8	47%	0.471	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.2	152.6	165	68.7	87.9	0	0	0	110	E144 T145 A146	D142-E144 PolarHBondContact O-N 2.79Å; D142-E144 WeakPolarHBondContact OD1-CA 3.41Å; D142-E144 VanDerWaalsContact OD1-CB 3.31Å; D142-E144 WeakPolarHBondContact OD1-CB 3.4Å; D142-E144 PolarHBondContact OD1-N 2.84Å; D142-T145 PolarHBondContact O-N 2.82Å; D142-T145 PolarHBondContact OD1-N 3.42Å; D142-T145 PolarHBondContact OD1-OG1 2.81Å; D142-T145 WeakPolarHBondContact OD2-CB 3.45Å; D142-T145 PolarHBondContact OD2-OG1 2.91Å; D142-A146 WeakPolarHBondContact O-CB 3.35Å; D142-A146 PolarHBondContact O-N 2.87Å
143	E	98	Very high	97.6	Very high	45 Å²	45	50.5 Å²	50.5	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-20.7	-173.9	-70.1	-173.8	-140.1	0	0	113.7	R147 V238 S262 W291	E143-R147 WeakPolarHBondContact O-CB 3.5Å; E143-R147 PolarHBondContact O-N 3.35Å; E143-R147 PolarHBondContact O-NH1 3.39Å; E143-V238 HydrophobicContact CG-CG1 4.46Å; E143-S262 VanDerWaalsContact OE1-CB 3.23Å; E143-S262 WeakPolarHBondContact OE1-CB 3.33Å; E143-S262 PolarHBondContact OE1-N 3.47Å; E143-S262 PolarHBondContact OE1-OG 2.98Å; E143-S262 VanDerWaalsContact OE2-CB 3.3Å; E143-S262 WeakPolarHBondContact OE2-CB 3.45Å; E143-S262 PolarHBondContact OE2-OG 3.16Å; E143-W291 HydrophobicContact CB-CZ2 4.2Å; E143-W291 HydrophobicContact CG-CZ2 4.48Å; E143-W291 PolarHBondContact OE2-NE1 2.89Å
144	E	96.8	Very high	97.7	Very high	147 Å²	147	47.2 Å²	47.2	69%	0.687	24%	0.244	S	C	*	.	H	α-helix	trans	-71.5	-49.6	175	-174.4	175.3	-175	0	0	110.9	D142 R147 G148	D142-E144 PolarHBondContact O-N 2.79Å; D142-E144 WeakPolarHBondContact OD1-CA 3.41Å; D142-E144 VanDerWaalsContact OD1-CB 3.31Å; D142-E144 WeakPolarHBondContact OD1-CB 3.4Å; D142-E144 PolarHBondContact OD1-N 2.84Å; E144-R147 PolarHBondContact O-N 3.27Å; E144-G148 PolarHBondContact O-N 3.27Å
145	T	97	Very high	97.7	Very high	48 Å²	48	49.7 Å²	49.7	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-49.4	173.2	-58.4	0	0	0	0	111.3	L141 D142 R147 G148 F149	L141-T145 HydrophobicContact CD1-CG2 4.38Å; D142-T145 PolarHBondContact O-N 2.82Å; D142-T145 PolarHBondContact OD1-N 3.42Å; D142-T145 PolarHBondContact OD1-OG1 2.81Å; D142-T145 WeakPolarHBondContact OD2-CB 3.45Å; D142-T145 PolarHBondContact OD2-OG1 2.91Å; T145-R147 VanDerWaalsContact C-N 3.32Å; T145-R147 PolarHBondContact O-N 2.9Å; T145-G148 PolarHBondContact O-N 2.95Å; T145-G148 VanDerWaalsContact O-N 3.15Å; T145-F149 HydrophobicContact CG2-CD2 4.21Å; T145-F149 HydrophobicContact CG2-CE2 3.94Å; T145-F149 HydrophobicContact CG2-CZ 4.16Å; T145-F149 PolarHBondContact O-N 3.46Å
146	A	98.4	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-41.2	178.9	0	0	0	0	0	111.9	L141 D142 F149 F150 M237 V238 W291	L141-A146 HydrophobicContact CB-CB 4.27Å; D142-A146 WeakPolarHBondContact O-CB 3.35Å; D142-A146 PolarHBondContact O-N 2.87Å; A146-F149 PolarHBondContact O-N 3.41Å; A146-F150 WeakPolarHBondContact O-CB 3.3Å; A146-F150 PolarHBondContact O-N 3.34Å; A146-M237 HydrophobicContact CB-CB 4.09Å; A146-V238 HydrophobicContact CB-CG1 3.72Å; A146-W291 HydrophobicContact CB-CH2 4.34Å; A146-W291 HydrophobicContact CB-CZ2 4.49Å
147	R	98.4	Very high	97.8	Very high	38 Å²	38	45.4 Å²	45.4	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-41.8	176.1	-177.1	-169.1	-59	103.1	9.8	112.1	E143 E144 T145 R151 W291 M292	E143-R147 WeakPolarHBondContact O-CB 3.5Å; E143-R147 PolarHBondContact O-N 3.35Å; E143-R147 PolarHBondContact O-NH1 3.39Å; E144-R147 PolarHBondContact O-N 3.27Å; T145-R147 VanDerWaalsContact C-N 3.32Å; T145-R147 PolarHBondContact O-N 2.9Å; R147-R151 WeakPolarHBondContact O-CB 3.39Å; R147-R151 PolarHBondContact O-N 3.22Å; R147-W291 VanDerWaalsContact CA-CH2 3.48Å; R147-W291 HydrophobicContact CB-CH2 3.73Å; R147-W291 HydrophobicContact CB-CZ2 3.97Å; R147-W291 HydrophobicContact CB-CZ3 4.12Å; R147-W291 WeakPolarHBondContact CD-O 3.31Å; R147-W291 HydrophobicContact CG-CH2 4.41Å; R147-W291 HydrophobicContact CG-CZ3 4.32Å; R147-W291 PolarHBondContact NE-O 3.27Å; R147-M292 HydrophobicContact CG-SD 4.19Å
148	G	97.9	Very high	98	Very high	24 Å²	24	44.8 Å²	44.8	25%	0.247	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-49.3	175.8	0	0	0	0	0	111.9	E144 T145 Q152	E144-G148 PolarHBondContact O-N 3.27Å; T145-G148 PolarHBondContact O-N 2.95Å; T145-G148 VanDerWaalsContact O-N 3.15Å; G148-Q152 PolarHBondContact O-N 2.76Å
149	F	98.7	Very high	98.2	Very high	16 Å²	16	38.8 Å²	38.8	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-50.3	176.2	-76	-3.4	0	0	0	112.3	L131 F134 L141 T145 A146 R151 Q152 V153 V177 L184 M237	L131-F149 HydrophobicContact CD1-CD2 3.78Å; L131-F149 HydrophobicContact CD1-CE2 3.84Å; F134-F149 HydrophobicContact CD1-CE2 4.28Å; F134-F149 AromaticContact CE1-CE2 3.92Å; F134-F149 HydrophobicContact CE1-CE2 3.92Å; F134-F149 HydrophobicContact CE1-CZ 4.39Å; F134-F149 HydrophobicContact CZ-CE2 4.27Å; F134-F149 HydrophobicContact CZ-CZ 4.28Å; L141-F149 HydrophobicContact CD1-CD2 3.92Å; L141-F149 HydrophobicContact CD1-CE2 4.2Å; T145-F149 HydrophobicContact CG2-CD2 4.21Å; T145-F149 HydrophobicContact CG2-CE2 3.94Å; T145-F149 HydrophobicContact CG2-CZ 4.16Å; T145-F149 PolarHBondContact O-N 3.46Å; A146-F149 PolarHBondContact O-N 3.41Å; F149-R151 VanDerWaalsContact C-N 3.25Å; F149-R151 PolarHBondContact O-N 2.94Å; F149-Q152 WeakPolarHBondContact O-CB 3.33Å; F149-Q152 PolarHBondContact O-N 3.02Å; F149-V153 WeakPolarHBondContact O-CG2 3.15Å; F149-V153 PolarHBondContact O-N 3.43Å; F149-V177 HydrophobicContact CE1-CG1 4.35Å; F149-V177 HydrophobicContact CE2-CG2 4.34Å; F149-V177 HydrophobicContact CZ-CG1 3.83Å; F149-V177 HydrophobicContact CZ-CG2 4.32Å; F149-L184 HydrophobicContact CB-CD1 3.61Å; F149-L184 HydrophobicContact CD1-CD1 4.04Å; F149-L184 HydrophobicContact CD1-CG 4.15Å; F149-L184 HydrophobicContact CG-CD1 3.85Å; F149-L184 HydrophobicContact CG-CG 4.36Å; F149-L184 WeakPolarHBondContact O-CD1 3.37Å; F149-M237 HydrophobicContact CB-CE 4.13Å; F149-M237 HydrophobicContact CB-SD 4.44Å
150	F	98.8	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-35.4	-178.6	-165.5	-115.5	0	0	0	112.5	A146 V153 L154 L230 L234 M237 L268 I286 W291 M292	A146-F150 WeakPolarHBondContact O-CB 3.3Å; A146-F150 PolarHBondContact O-N 3.34Å; F150-V153 PolarHBondContact O-N 2.74Å; F150-L154 HydrophobicContact CD1-CD1 3.8Å; F150-L154 HydrophobicContact CD1-CG 4.33Å; F150-L154 HydrophobicContact CE1-CD1 3.81Å; F150-L154 HydrophobicContact CE1-CD2 4.32Å; F150-L154 HydrophobicContact CE1-CG 4.21Å; F150-L154 HydrophobicContact CZ-CD2 4.35Å; F150-L154 VanDerWaalsContact O-CG 3.25Å; F150-L154 WeakPolarHBondContact O-CG 2.95Å; F150-L154 PolarHBondContact O-N 3.04Å; F150-L230 HydrophobicContact CE2-CB 4.01Å; F150-L230 HydrophobicContact CE2-CD2 3.96Å; F150-L230 VanDerWaalsContact CE2-O 3.3Å; F150-L230 WeakPolarHBondContact CE2-O 3.34Å; F150-L230 HydrophobicContact CZ-CB 4.01Å; F150-L230 HydrophobicContact CZ-CD2 4.43Å; F150-L234 HydrophobicContact CB-CD1 4.37Å; F150-L234 HydrophobicContact CD1-CD1 4.4Å; F150-L234 HydrophobicContact CD1-CD2 4.24Å; F150-L234 HydrophobicContact CD2-CB 4.02Å; F150-L234 HydrophobicContact CD2-CD1 4.31Å; F150-L234 HydrophobicContact CE1-CD2 3.97Å; F150-L234 HydrophobicContact CE2-CB 3.75Å; F150-L234 HydrophobicContact CG-CD1 4.12Å; F150-L234 HydrophobicContact CZ-CB 4.04Å; F150-L234 HydrophobicContact CZ-CD2 4.16Å; F150-M237 HydrophobicContact CB-SD 4.28Å; F150-M237 HydrophobicContact CD2-SD 4.44Å; F150-L268 HydrophobicContact CE1-CD2 4.28Å; F150-I286 HydrophobicContact CE1-CG2 3.73Å; F150-I286 HydrophobicContact CZ-CG2 4.44Å; F150-W291 HydrophobicContact CB-CZ3 4.45Å; F150-W291 HydrophobicContact CD1-CZ3 4.09Å; F150-M292 HydrophobicContact CD1-CE 4.21Å; F150-M292 HydrophobicContact CD1-SD 3.8Å
151	R	98.6	Very high	98.3	Very high	58 Å²	58	38 Å²	38	22%	0.219	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-47.2	172.4	-172.3	177.3	-62.6	101.7	-2.4	112.2	R147 F149 V153 L154 E155 L287 M292	R147-R151 WeakPolarHBondContact O-CB 3.39Å; R147-R151 PolarHBondContact O-N 3.22Å; F149-R151 VanDerWaalsContact C-N 3.25Å; F149-R151 PolarHBondContact O-N 2.94Å; R151-V153 VanDerWaalsContact C-N 3.32Å; R151-V153 PolarHBondContact O-N 2.97Å; R151-L154 WeakPolarHBondContact O-CB 3.23Å; R151-L154 PolarHBondContact O-N 3.15Å; R151-E155 WeakPolarHBondContact O-CG 3.33Å; R151-E155 PolarHBondContact O-N 3.14Å; R151-L287 HydrophobicContact CG-CD2 4.38Å; R151-M292 HydrophobicContact CB-CE 3.75Å; R151-M292 HydrophobicContact CG-CE 4.29Å; R151-M292 PolarHBondContact NH2-O 3.22Å
152	Q	98.7	Very high	98.3	Very high	52 Å²	52	41.9 Å²	41.9	24%	0.243	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-38.6	178.1	-65.5	-177.3	63.1	0	0	111.8	G148 F149 E155 A156 G182 E183 L184	G148-Q152 PolarHBondContact O-N 2.76Å; F149-Q152 WeakPolarHBondContact O-CB 3.33Å; F149-Q152 PolarHBondContact O-N 3.02Å; Q152-E155 PolarHBondContact O-N 3.42Å; Q152-A156 PolarHBondContact O-N 3.07Å; Q152-G182 PolarHBondContact NE2-O 2.93Å; Q152-E183 VanDerWaalsContact OE1-CA 3.29Å; Q152-L184 HydrophobicContact CB-CB 4.08Å; Q152-L184 HydrophobicContact CB-CD1 4.35Å
153	V	98.9	Very high	98.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-47	173.5	179.9	0	0	0	0	110.7	F149 F150 R151 E155 A156 V157 I170 L175 L184 L230 L233 M237	F149-V153 WeakPolarHBondContact O-CG2 3.15Å; F149-V153 PolarHBondContact O-N 3.43Å; F150-V153 PolarHBondContact O-N 2.74Å; R151-V153 VanDerWaalsContact C-N 3.32Å; R151-V153 PolarHBondContact O-N 2.97Å; V153-E155 VanDerWaalsContact C-N 3.3Å; V153-E155 PolarHBondContact O-N 3.47Å; V153-A156 WeakPolarHBondContact O-CB 3.47Å; V153-A156 PolarHBondContact O-N 3.45Å; V153-A156 VanDerWaalsContact O-N 3.16Å; V153-V157 HydrophobicContact CG1-CG2 4.41Å; V153-V157 WeakPolarHBondContact O-CG2 3.36Å; V153-V157 PolarHBondContact O-N 3.46Å; V153-I170 HydrophobicContact CG1-CG2 4.22Å; V153-L175 HydrophobicContact CG2-CD1 3.65Å; V153-L175 HydrophobicContact CG2-CD2 3.92Å; V153-L175 HydrophobicContact CG2-CG 4.47Å; V153-L184 HydrophobicContact CG2-CD1 3.74Å; V153-L230 HydrophobicContact CG1-CD2 3.61Å; V153-L233 HydrophobicContact CG1-CD2 4Å; V153-L233 HydrophobicContact CG2-CD2 4.28Å; V153-M237 HydrophobicContact CG2-CE 4.32Å
154	L	98.8	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-41	177.8	-68.3	165.1	0	0	0	111.9	F150 R151 V157 R158 L230 L283 I286 L287 M292	F150-L154 HydrophobicContact CD1-CD1 3.8Å; F150-L154 HydrophobicContact CD1-CG 4.33Å; F150-L154 HydrophobicContact CE1-CD1 3.81Å; F150-L154 HydrophobicContact CE1-CD2 4.32Å; F150-L154 HydrophobicContact CE1-CG 4.21Å; F150-L154 HydrophobicContact CZ-CD2 4.35Å; F150-L154 VanDerWaalsContact O-CG 3.25Å; F150-L154 WeakPolarHBondContact O-CG 2.95Å; F150-L154 PolarHBondContact O-N 3.04Å; R151-L154 WeakPolarHBondContact O-CB 3.23Å; R151-L154 PolarHBondContact O-N 3.15Å; L154-V157 PolarHBondContact O-N 3.42Å; L154-R158 WeakPolarHBondContact O-CG 3.5Å; L154-R158 PolarHBondContact O-N 2.83Å; L154-L230 HydrophobicContact CD2-CD1 3.82Å; L154-L230 HydrophobicContact CD2-CD2 4.44Å; L154-L283 HydrophobicContact CD2-CD2 3.91Å; L154-I286 HydrophobicContact CD1-CG2 3.54Å; L154-I286 HydrophobicContact CD2-CB 4.43Å; L154-I286 HydrophobicContact CD2-CD1 4.33Å; L154-I286 HydrophobicContact CD2-CG2 3.86Å; L154-I286 HydrophobicContact CG-CG2 4.36Å; L154-L287 HydrophobicContact CB-CD2 4.14Å; L154-L287 HydrophobicContact CD1-CD2 3.75Å; L154-L287 HydrophobicContact CD1-CG 4.14Å; L154-M292 HydrophobicContact CD1-CE 3.75Å
155	E	98.6	Very high	98.5	Very high	87 Å²	87	30.6 Å²	30.6	41%	0.407	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-42.3	175	-71.2	171.7	-173.8	0	0	112	F102 R151 Q152 V153 R158 H159	F102-E155 HydrophobicContact CE2-CB 4.44Å; F102-E155 HydrophobicContact CZ-CB 4.14Å; R151-E155 WeakPolarHBondContact O-CG 3.33Å; R151-E155 PolarHBondContact O-N 3.14Å; Q152-E155 PolarHBondContact O-N 3.42Å; V153-E155 VanDerWaalsContact C-N 3.3Å; V153-E155 PolarHBondContact O-N 3.47Å; E155-R158 PolarHBondContact O-N 3.36Å; E155-H159 WeakPolarHBondContact O-CB 3.38Å; E155-H159 PolarHBondContact O-N 2.88Å
156	A	98.8	Very high	98.6	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-41.5	175.4	0	0	0	0	0	112.6	F102 G104 V105 Q152 V153 H159 C160 L186	F102-A156 HydrophobicContact CE1-CB 4.1Å; F102-A156 HydrophobicContact CZ-CB 4.43Å; G104-A156 VanDerWaalsContact O-CB 3.26Å; G104-A156 WeakPolarHBondContact O-CB 3.46Å; V105-A156 HydrophobicContact CG2-CB 4.14Å; Q152-A156 PolarHBondContact O-N 3.07Å; V153-A156 WeakPolarHBondContact O-CB 3.47Å; V153-A156 PolarHBondContact O-N 3.45Å; V153-A156 VanDerWaalsContact O-N 3.16Å; A156-H159 PolarHBondContact O-N 3.23Å; A156-C160 PolarHBondContact O-N 2.66Å; A156-C160 PolarHBondContact O-SG 3.37Å; A156-L186 HydrophobicContact CB-CB 4.3Å; A156-L186 HydrophobicContact CB-CD2 4.49Å
157	V	98.8	Very high	98.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-43.5	175.4	177.6	0	0	0	0	111.1	V153 L154 H159 C160 Y161 I170 T226 L230 L283	V153-V157 HydrophobicContact CG1-CG2 4.41Å; V153-V157 WeakPolarHBondContact O-CG2 3.36Å; V153-V157 PolarHBondContact O-N 3.46Å; L154-V157 PolarHBondContact O-N 3.42Å; V157-H159 VanDerWaalsContact C-N 3.3Å; V157-H159 PolarHBondContact O-N 2.92Å; V157-C160 WeakPolarHBondContact O-CB 3.44Å; V157-C160 PolarHBondContact O-N 3.21Å; V157-Y161 HydrophobicContact CG1-CD1 4.43Å; V157-Y161 HydrophobicContact CG1-CD2 4.33Å; V157-Y161 HydrophobicContact CG1-CE1 4.01Å; V157-Y161 HydrophobicContact CG1-CE2 3.9Å; V157-Y161 PolarHBondContact O-N 2.73Å; V157-I170 HydrophobicContact CG2-CD1 3.5Å; V157-I170 VanDerWaalsContact CG2-CD1 3.5Å; V157-I170 HydrophobicContact CG2-CG1 4.44Å; V157-T226 HydrophobicContact CG1-CG2 3.7Å; V157-T226 HydrophobicContact CG2-CG2 4.45Å; V157-L230 HydrophobicContact CG2-CD2 4.43Å; V157-L283 HydrophobicContact CB-CD1 4.37Å; V157-L283 HydrophobicContact CG1-CD1 3.76Å; V157-L283 HydrophobicContact CG1-CD2 4.41Å
158	R	98.6	Very high	98.6	Very high	115 Å²	115	27.4 Å²	27.4	43%	0.434	15%	0.145	S	C	.	.	H	α-helix	trans	-58.4	-43.6	175.1	-75.9	-179.9	68.5	179.3	1.4	111.4	L154 E155 Y161 S162 L283 L287	L154-R158 WeakPolarHBondContact O-CG 3.5Å; L154-R158 PolarHBondContact O-N 2.83Å; E155-R158 PolarHBondContact O-N 3.36Å; R158-Y161 PolarHBondContact O-N 3.3Å; R158-S162 PolarHBondContact O-N 3.2Å; R158-S162 PolarHBondContact O-OG 3.42Å; R158-L283 HydrophobicContact CG-CB 4.32Å; R158-L283 HydrophobicContact CG-CD1 3.68Å; R158-L287 VanDerWaalsContact NH1-CD1 3.33Å
159	H	98.8	Very high	98.6	Very high	25 Å²	25	26.4 Å²	26.4	12%	0.116	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-43.4	176.3	176.4	57.3	0	0	0	112.3	V98 S100 F102 E155 A156 V157 Y161 S162 S163	V98-H159 PolarHBondContact O-NE2 2.82Å; S100-H159 PolarHBondContact OG-CE1 3.48Å; F102-H159 HydrophobicContact CD1-CB 3.76Å; F102-H159 AromaticContact CD1-CD2 3.35Å; F102-H159 WeakPolarHBondContact CD1-CD2 3.2Å; F102-H159 AromaticContact CD1-CG 3.49Å; F102-H159 VanDerWaalsContact CD1-CG 3.49Å; F102-H159 HydrophobicContact CD2-CB 4.46Å; F102-H159 HydrophobicContact CE1-CB 3.81Å; F102-H159 HydrophobicContact CG-CB 4.1Å; F102-H159 AromaticContact CG-CD2 3.87Å; F102-H159 AromaticContact CG-CG 3.7Å; F102-H159 HydrophobicContact CZ-CB 4.2Å; E155-H159 WeakPolarHBondContact O-CB 3.38Å; E155-H159 PolarHBondContact O-N 2.88Å; A156-H159 PolarHBondContact O-N 3.23Å; V157-H159 VanDerWaalsContact C-N 3.3Å; V157-H159 PolarHBondContact O-N 2.92Å; H159-Y161 VanDerWaalsContact C-N 3.35Å; H159-Y161 PolarHBondContact O-N 2.91Å; H159-S162 WeakPolarHBondContact CA-OG 3.45Å; H159-S162 PolarHBondContact O-N 2.88Å; H159-S162 PolarHBondContact O-OG 3.35Å; H159-S163 WeakPolarHBondContact O-CB 3.21Å; H159-S163 PolarHBondContact O-N 3.07Å; H159-S163 PolarHBondContact O-OG 3.35Å
160	C	98.8	Very high	98.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-47.3	173.8	-67.4	0	0	0	0	111.3	V98 A156 V157 S163 G164 V165	V98-C160 HydrophobicContact CG1-CB 4.44Å; A156-C160 PolarHBondContact O-N 2.66Å; A156-C160 PolarHBondContact O-SG 3.37Å; V157-C160 WeakPolarHBondContact O-CB 3.44Å; V157-C160 PolarHBondContact O-N 3.21Å; C160-S163 CarbonylContact O-C 3.45Å; C160-S163 WeakPolarHBondContact O-CA 3.36Å; C160-S163 WeakPolarHBondContact O-CB 3.3Å; C160-S163 PolarHBondContact O-N 3.43Å; C160-S163 VanDerWaalsContact O-N 3.08Å; C160-G164 PolarHBondContact O-N 3.24Å; C160-V165 CarbonylContact C-O 3.59Å; C160-V165 PolarHBondContact O-N 3.07Å; C160-V165 VanDerWaalsContact O-O 3.09Å
161	Y	98.6	Very high	98.6	Very high	31 Å²	31	26.6 Å²	26.6	12%	0.122	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-43.5	179.1	-71.3	-4.4	0	0	0	112.8	V157 R158 H159 S163 G164 V165 V166 L195 R223 T226 L283	V157-Y161 HydrophobicContact CG1-CD1 4.43Å; V157-Y161 HydrophobicContact CG1-CD2 4.33Å; V157-Y161 HydrophobicContact CG1-CE1 4.01Å; V157-Y161 HydrophobicContact CG1-CE2 3.9Å; V157-Y161 PolarHBondContact O-N 2.73Å; R158-Y161 PolarHBondContact O-N 3.3Å; H159-Y161 VanDerWaalsContact C-N 3.35Å; H159-Y161 PolarHBondContact O-N 2.91Å; Y161-S163 PolarHBondContact O-N 3.09Å; Y161-G164 PolarHBondContact O-N 2.96Å; Y161-V165 WeakPolarHBondContact CD1-O 3.38Å; Y161-V166 HydrophobicContact CE1-CB 4.42Å; Y161-V166 HydrophobicContact CE1-CG2 4.26Å; Y161-L195 HydrophobicContact CD1-CD1 4.48Å; Y161-L195 HydrophobicContact CD1-CD2 4Å; Y161-L195 HydrophobicContact CG-CD2 4.09Å; Y161-R223 HydrophobicContact CD2-CG 4.5Å; Y161-R223 HydrophobicContact CE2-CB 4.48Å; Y161-R223 HydrophobicContact CE2-CG 3.88Å; Y161-R223 WeakPolarHBondContact OH-CA 3.49Å; Y161-T226 WeakPolarHBondContact OH-CB 3.3Å; Y161-T226 VanDerWaalsContact OH-CG2 3.23Å; Y161-T226 WeakPolarHBondContact OH-CG2 3.43Å; Y161-T226 PolarHBondContact OH-OG1 3Å; Y161-L283 HydrophobicContact CD2-CD1 3.72Å; Y161-L283 HydrophobicContact CE2-CD1 3.6Å; Y161-L283 HydrophobicContact CE2-CG 4.35Å
162	S	98.3	Very high	98.6	Very high	96 Å²	96	24.3 Å²	24.3	67%	0.671	13%	0.127	S	C	*	.	H	α-helix	trans	-63.5	-24.6	175.1	57.8	0	0	0	0	112.7	R158 H159 G164	R158-S162 PolarHBondContact O-N 3.2Å; R158-S162 PolarHBondContact O-OG 3.42Å; H159-S162 WeakPolarHBondContact CA-OG 3.45Å; H159-S162 PolarHBondContact O-N 2.88Å; H159-S162 PolarHBondContact O-OG 3.35Å; S162-G164 VanDerWaalsContact C-N 3.29Å
163	S	98.5	Very high	98.6	Very high	22 Å²	22	26.1 Å²	26.1	15%	0.154	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.6	174.3	-54.4	0	0	0	0	112.9	K97 H159 C160 Y161	K97-S163 WeakPolarHBondContact CE-O 3.24Å; K97-S163 PolarHBondContact NZ-O 3.05Å; K97-S163 WeakPolarHBondContact O-CB 3.42Å; H159-S163 WeakPolarHBondContact O-CB 3.21Å; H159-S163 PolarHBondContact O-N 3.07Å; H159-S163 PolarHBondContact O-OG 3.35Å; C160-S163 CarbonylContact O-C 3.45Å; C160-S163 WeakPolarHBondContact O-CA 3.36Å; C160-S163 WeakPolarHBondContact O-CB 3.3Å; C160-S163 PolarHBondContact O-N 3.43Å; C160-S163 VanDerWaalsContact O-N 3.08Å; Y161-S163 PolarHBondContact O-N 3.09Å
164	G	98.6	Very high	98.5	Very high	22 Å²	22	26.5 Å²	26.5	23%	0.227	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	32.2	-177.4	0	0	0	0	0	113.5	C160 Y161 S162 L195	C160-G164 PolarHBondContact O-N 3.24Å; Y161-G164 PolarHBondContact O-N 2.96Å; S162-G164 VanDerWaalsContact C-N 3.29Å; G164-L195 PolarHBondContact O-N 2.98Å
165	V	98.8	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.1	-178.6	175.5	0	0	0	0	110	L94 K97 V98 C160 Y161 F189	L94-V165 HydrophobicContact CB-CG1 4.13Å; L94-V165 HydrophobicContact CB-CG2 4.44Å; L94-V165 HydrophobicContact CD2-CG1 4.16Å; L94-V165 HydrophobicContact CD2-CG2 4.05Å; L94-V165 HydrophobicContact CG-CG1 4.49Å; K97-V165 HydrophobicContact CB-CG2 3.85Å; K97-V165 HydrophobicContact CD-CG2 4.16Å; V98-V165 HydrophobicContact CG1-CB 3.9Å; V98-V165 HydrophobicContact CG1-CG1 4.17Å; V98-V165 HydrophobicContact CG1-CG2 3.86Å; C160-V165 CarbonylContact C-O 3.59Å; C160-V165 PolarHBondContact O-N 3.07Å; C160-V165 VanDerWaalsContact O-O 3.09Å; Y161-V165 WeakPolarHBondContact CD1-O 3.38Å; V165-F189 HydrophobicContact CG1-CD1 3.84Å; V165-F189 HydrophobicContact CG1-CE1 3.79Å
166	V	98.7	Very high	98.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.5	166.2	58.8	0	0	0	0	109.1	Y161 R168 G192 A193 L195 Y200	Y161-V166 HydrophobicContact CE1-CB 4.42Å; Y161-V166 HydrophobicContact CE1-CG2 4.26Å; V166-R168 HydrophobicContact CG1-CG 4.02Å; V166-R168 HydrophobicContact CG2-CG 3.96Å; V166-G192 CarbonylContact O-C 3.2Å; V166-G192 VanDerWaalsContact O-CA 3.28Å; V166-G192 WeakPolarHBondContact O-CA 3.25Å; V166-A193 HydrophobicContact CG1-CB 3.91Å; V166-A193 WeakPolarHBondContact CG1-O 3.5Å; V166-A193 PolarHBondContact N-O 3.16Å; V166-A193 PolarHBondContact O-N 2.94Å; V166-L195 HydrophobicContact CB-CD1 4.13Å; V166-Y200 HydrophobicContact CG1-CE1 4.34Å; V166-Y200 WeakPolarHBondContact CG1-OH 3.44Å
167	H	98.7	Very high	98.5	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	13%	0.125	C	C	.	.			trans	-73.8	-37.6	-174.2	-165.7	-87.1	0	0	0	113.6	D169 I170 I187 D188 F189 G192	H167-D169 PolarHBondContact CE1-O 2.87Å; H167-D169 VanDerWaalsContact ND1-C 3.33Å; H167-D169 PolarHBondContact ND1-N 2.95Å; H167-D169 PolarHBondContact ND1-O 2.91Å; H167-D169 PolarHBondContact O-N 3.01Å; H167-I170 HydrophobicContact CB-CD1 4.21Å; H167-I170 HydrophobicContact CB-CG1 3.98Å; H167-I187 PolarHBondContact CE1-O 2.8Å; H167-I187 PolarHBondContact NE2-O 3.26Å; H167-D188 PolarHBondContact CE1-O 3.5Å; H167-D188 PolarHBondContact NE2-O 3.44Å; H167-F189 AromaticContact CD2-CD1 3.85Å; H167-F189 AromaticContact CD2-CE1 3.65Å; H167-F189 AromaticContact CD2-CE2 3.93Å; H167-F189 AromaticContact CD2-CZ 3.68Å; H167-G192 VanDerWaalsContact O-CA 3.32Å; H167-G192 WeakPolarHBondContact O-CA 3.34Å; H167-G192 PolarHBondContact O-N 2.92Å
168	R	98.4	Very high	98.3	Very high	15 Å²	15	24.7 Å²	24.7	6%	0.057	13%	0.13	C	C	.	.	S	Bend	trans	61.7	-13.1	-178.1	-55.5	-163.7	-73	-179.1	-0.7	117.6	E79 V166 S191 G192 D202 Y220	E79-R168 IonicContact OE1-CZ 3.8Å; E79-R168 IonicContact OE1-NH2 3.15Å; E79-R168 PolarHBondContact OE1-NH2 3.36Å; V166-R168 HydrophobicContact CG1-CG 4.02Å; V166-R168 HydrophobicContact CG2-CG 3.96Å; R168-S191 WeakPolarHBondContact CB-O 3.24Å; R168-S191 VanDerWaalsContact CZ-O 3.23Å; R168-S191 PolarHBondContact NE-O 3.27Å; R168-S191 PolarHBondContact NH2-O 3.09Å; R168-S191 VanDerWaalsContact NH2-O 3.1Å; R168-G192 PolarHBondContact NH2-O 3.39Å; R168-D202 IonicContact CZ-OD2 3.58Å; R168-D202 PolarHBondContact NH1-O 2.87Å; R168-D202 IonicContact NH1-OD2 2.73Å; R168-D202 PolarHBondContact NH1-OD2 2.93Å; R168-D202 IonicContact NH2-OD2 3.55Å; R168-Y220 WeakPolarHBondContact CD-OH 3.36Å; R168-Y220 PolarHBondContact NH1-OH 3.22Å
169	D	98.2	Very high	98.2	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.132	C	C	.	.			trans	-130.8	55.3	177.6	-163	37.2	0	0	0	112.4	H167 K171 N174 T206	H167-D169 PolarHBondContact CE1-O 2.87Å; H167-D169 VanDerWaalsContact ND1-C 3.33Å; H167-D169 PolarHBondContact ND1-N 2.95Å; H167-D169 PolarHBondContact ND1-O 2.91Å; H167-D169 PolarHBondContact O-N 3.01Å; D169-K171 PolarHBondContact O-N 3.34Å; D169-K171 VanDerWaalsContact OD2-CE 3.3Å; D169-K171 WeakPolarHBondContact OD2-CE 3.45Å; D169-K171 IonicContact OD2-NZ 2.75Å; D169-N174 PolarHBondContact O-ND2 2.88Å; D169-N174 PolarHBondContact OD2-ND2 2.92Å; D169-T206 VanDerWaalsContact OD1-CB 3.23Å; D169-T206 WeakPolarHBondContact OD1-CB 3.5Å; D169-T206 PolarHBondContact OD1-N 2.91Å; D169-T206 PolarHBondContact OD1-OG1 2.82Å
170	I	98.7	Very high	97.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.16	C	C	.	.			trans	-80.5	116	176.5	-68	155.2	0	0	0	108.5	V153 V157 H167 Y209 T226 L230 L233	V153-I170 HydrophobicContact CG1-CG2 4.22Å; V157-I170 HydrophobicContact CG2-CD1 3.5Å; V157-I170 VanDerWaalsContact CG2-CD1 3.5Å; V157-I170 HydrophobicContact CG2-CG1 4.44Å; H167-I170 HydrophobicContact CB-CD1 4.21Å; H167-I170 HydrophobicContact CB-CG1 3.98Å; I170-Y209 WeakPolarHBondContact O-CD1 3.4Å; I170-T226 HydrophobicContact CD1-CG2 3.5Å; I170-L230 HydrophobicContact CG2-CD2 4.16Å; I170-L233 HydrophobicContact CG2-CD2 3.93Å
171	K	98.6	Very high	97.7	Very high	18 Å²	18	34.4 Å²	34.4	8%	0.078	18%	0.18	C	C	.	.	S	Bend	trans	-157.5	168.4	179.2	56.6	175.8	179.3	170.2	0	109.5	D169 E173 N174 L175 T206 Y209	D169-K171 PolarHBondContact O-N 3.34Å; D169-K171 VanDerWaalsContact OD2-CE 3.3Å; D169-K171 WeakPolarHBondContact OD2-CE 3.45Å; D169-K171 IonicContact OD2-NZ 2.75Å; K171-E173 HydrophobicContact CD-CB 4.15Å; K171-E173 HydrophobicContact CD-CG 4.48Å; K171-E173 WeakPolarHBondContact CD-OE1 3.41Å; K171-E173 WeakPolarHBondContact CE-OE1 3.3Å; K171-E173 HydrophobicContact CG-CB 4.31Å; K171-E173 IonicContact NZ-OE1 2.74Å; K171-E173 PolarHBondContact NZ-OE1 3.42Å; K171-E173 IonicContact NZ-OE2 3.46Å; K171-E173 PolarHBondContact O-N 2.7Å; K171-N174 WeakPolarHBondContact CE-ND2 3.33Å; K171-N174 HydrophobicContact CG-CB 4.2Å; K171-N174 PolarHBondContact O-N 2.79Å; K171-N174 VanDerWaalsContact O-N 3.16Å; K171-L175 WeakPolarHBondContact O-CG 3.46Å; K171-T206 HydrophobicContact CD-CG2 4.33Å; K171-T206 WeakPolarHBondContact CD-OG1 3.34Å; K171-T206 VanDerWaalsContact CE-OG1 3.22Å; K171-T206 WeakPolarHBondContact CE-OG1 3.25Å; K171-T206 PolarHBondContact NZ-OG1 3.43Å; K171-Y209 HydrophobicContact CB-CD1 4.08Å; K171-Y209 HydrophobicContact CB-CD2 3.98Å; K171-Y209 HydrophobicContact CB-CE1 3.72Å; K171-Y209 HydrophobicContact CB-CE2 3.6Å; K171-Y209 HydrophobicContact CB-CG 4.21Å; K171-Y209 VanDerWaalsContact CB-CZ 3.45Å; K171-Y209 HydrophobicContact CD-CE2 4.47Å
172	D	98.4	Very high	97.4	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.048	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-57	-41.7	177.5	56.3	-25	0	0	0	113.7	L131 F132 N174 L175 Y209 L233	L131-D172 HydrophobicContact CB-CB 4.11Å; L131-D172 WeakPolarHBondContact CB-O 3.23Å; L131-D172 HydrophobicContact CD2-CB 4.21Å; L131-D172 HydrophobicContact CG-CB 4.14Å; L131-D172 PolarHBondContact N-O 2.83Å; F132-D172 WeakPolarHBondContact CA-OD2 3.42Å; F132-D172 HydrophobicContact CB-CB 4.31Å; F132-D172 WeakPolarHBondContact CB-OD2 3.37Å; F132-D172 VanDerWaalsContact CD2-OD2 3.28Å; F132-D172 WeakPolarHBondContact CD2-OD2 3.2Å; D172-N174 PolarHBondContact O-N 2.93Å; D172-N174 VanDerWaalsContact O-N 3.16Å; D172-L175 PolarHBondContact O-N 3.37Å; D172-L175 VanDerWaalsContact O-N 3.15Å; D172-Y209 PolarHBondContact OD1-OH 3.25Å; D172-L233 HydrophobicContact CB-CD1 4.05Å
173	E	97.6	Very high	97.3	Very high	91 Å²	91	33.3 Å²	33.3	43%	0.425	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-59.4	-27.9	175.5	-63.6	173.4	-90.4	0	0	113.4	F132 K171	F132-E173 HydrophobicContact CB-CG 3.92Å; F132-E173 HydrophobicContact CD2-CG 4.25Å; F132-E173 HydrophobicContact CG-CG 4.13Å; K171-E173 HydrophobicContact CD-CB 4.15Å; K171-E173 HydrophobicContact CD-CG 4.48Å; K171-E173 WeakPolarHBondContact CD-OE1 3.41Å; K171-E173 WeakPolarHBondContact CE-OE1 3.3Å; K171-E173 HydrophobicContact CG-CB 4.31Å; K171-E173 IonicContact NZ-OE1 2.74Å; K171-E173 PolarHBondContact NZ-OE1 3.42Å; K171-E173 IonicContact NZ-OE2 3.46Å; K171-E173 PolarHBondContact O-N 2.7Å
174	N	98.3	Very high	97.3	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-96.7	16.4	-177.6	-71.4	-20.6	0	0	0	112.9	D169 K171 D172 I187	D169-N174 PolarHBondContact O-ND2 2.88Å; D169-N174 PolarHBondContact OD2-ND2 2.92Å; K171-N174 WeakPolarHBondContact CE-ND2 3.33Å; K171-N174 HydrophobicContact CG-CB 4.2Å; K171-N174 PolarHBondContact O-N 2.79Å; K171-N174 VanDerWaalsContact O-N 3.16Å; D172-N174 PolarHBondContact O-N 2.93Å; D172-N174 VanDerWaalsContact O-N 3.16Å; N174-I187 VanDerWaalsContact C-CG1 3.48Å; N174-I187 HydrophobicContact CB-CG1 4.37Å; N174-I187 VanDerWaalsContact O-CG1 3.25Å; N174-I187 WeakPolarHBondContact O-CG1 3.22Å; N174-I187 PolarHBondContact O-N 2.81Å
175	L	98.6	Very high	97.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.1	179.8	-72.9	169.2	0	0	0	110	D130 L131 V153 K171 D172 L184 L186 L233	D130-L175 CarbonylContact C-O 3.48Å; D130-L175 VanDerWaalsContact CA-O 3.26Å; D130-L175 WeakPolarHBondContact CA-O 3.37Å; L131-L175 HydrophobicContact CB-CB 3.98Å; L131-L175 HydrophobicContact CD2-CB 4.41Å; L131-L175 HydrophobicContact CD2-CD1 3.92Å; L131-L175 PolarHBondContact N-O 3.13Å; V153-L175 HydrophobicContact CG2-CD1 3.65Å; V153-L175 HydrophobicContact CG2-CD2 3.92Å; V153-L175 HydrophobicContact CG2-CG 4.47Å; K171-L175 WeakPolarHBondContact O-CG 3.46Å; D172-L175 PolarHBondContact O-N 3.37Å; D172-L175 VanDerWaalsContact O-N 3.15Å; L175-L184 HydrophobicContact CB-CD2 4.19Å; L175-L186 HydrophobicContact CD2-CB 4.33Å; L175-L186 HydrophobicContact CD2-CD1 3.96Å; L175-L233 HydrophobicContact CD1-CD1 4.21Å; L175-L233 HydrophobicContact CD1-CD2 3.63Å
176	L	98.3	Very high	97.3	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.141	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.2	175.8	-68.5	-172.7	0	0	0	111.1	V128 D130 L184 T185 I187	V128-L176 HydrophobicContact CG2-CB 3.58Å; V128-L176 HydrophobicContact CG2-CD1 4.08Å; V128-L176 HydrophobicContact CG2-CD2 4.15Å; V128-L176 HydrophobicContact CG2-CG 4.15Å; D130-L176 HydrophobicContact CB-CD2 4.07Å; L176-L184 CarbonylContact O-C 3.48Å; L176-L184 VanDerWaalsContact O-CA 3.27Å; L176-L184 WeakPolarHBondContact O-CA 3.4Å; L176-L184 WeakPolarHBondContact O-CD2 3.42Å; L176-T185 PolarHBondContact N-O 2.73Å; L176-T185 PolarHBondContact O-N 2.8Å; L176-I187 HydrophobicContact CD1-CD1 4.4Å; L176-I187 HydrophobicContact CD1-CG2 3.64Å; L176-I187 HydrophobicContact CD2-CD1 4.07Å; L176-I187 HydrophobicContact CG-CD1 3.97Å; L176-I187 HydrophobicContact CG-CG1 4.3Å; L176-I187 HydrophobicContact CG-CG2 3.84Å
177	V	97.9	Very high	97.3	Very high	3 Å²	3	34 Å²	34	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.2	173.5	-173.3	0	0	0	0	109.2	V128 K129 L131 F134 F149 L179 L184	V128-V177 WeakPolarHBondContact CA-O 3.48Å; V128-V177 WeakPolarHBondContact CG2-O 3.26Å; K129-V177 PolarHBondContact N-O 3.23Å; K129-V177 VanDerWaalsContact N-O 3.14Å; K129-V177 PolarHBondContact O-N 2.92Å; L131-V177 HydrophobicContact CB-CG2 4.29Å; L131-V177 HydrophobicContact CD1-CG2 3.99Å; F134-V177 HydrophobicContact CD2-CG1 4.35Å; F134-V177 HydrophobicContact CD2-CG2 4.48Å; F134-V177 HydrophobicContact CE2-CG1 4.35Å; F134-V177 HydrophobicContact CG-CG2 4.5Å; F149-V177 HydrophobicContact CE1-CG1 4.35Å; F149-V177 HydrophobicContact CE2-CG2 4.34Å; F149-V177 HydrophobicContact CZ-CG1 3.83Å; F149-V177 HydrophobicContact CZ-CG2 4.32Å; V177-L179 HydrophobicContact CG1-CD2 4.29Å; V177-L179 PolarHBondContact O-N 2.65Å; V177-L184 HydrophobicContact CB-CD2 4.31Å; V177-L184 HydrophobicContact CG2-CD2 3.54Å
178	D	95.9	Very high	97.1	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	113.9	164.9	-177.4	-51.3	0	0	0	108.7	R180 T181 G182 E183	D178-R180 PolarHBondContact O-N 3.43Å; D178-R180 WeakPolarHBondContact OD1-CA 3.4Å; D178-R180 WeakPolarHBondContact OD1-CB 3.02Å; D178-R180 PolarHBondContact OD1-N 3.24Å; D178-T181 WeakPolarHBondContact CB-OG1 3.37Å; D178-T181 VanDerWaalsContact CG-OG1 3.3Å; D178-T181 PolarHBondContact O-N 3.36Å; D178-T181 PolarHBondContact OD1-N 3.02Å; D178-T181 PolarHBondContact OD1-OG1 3.27Å; D178-G182 WeakPolarHBondContact O-CA 3.36Å; D178-G182 PolarHBondContact O-N 2.87Å; D178-E183 PolarHBondContact N-O 3.31Å
179	L	95	Very high	97.1	Very high	91 Å²	91	34.6 Å²	34.6	48%	0.476	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.5	-172.3	-61.2	179.5	0	0	0	113.5	L127 K129 F134 V177	L127-L179 PolarHBondContact O-N 3.33Å; K129-L179 HydrophobicContact CB-CD1 4.33Å; K129-L179 HydrophobicContact CB-CD2 4.19Å; K129-L179 HydrophobicContact CB-CG 4.45Å; F134-L179 HydrophobicContact CD2-CD2 3.99Å; F134-L179 HydrophobicContact CE2-CD2 4.09Å; V177-L179 HydrophobicContact CG1-CD2 4.29Å; V177-L179 PolarHBondContact O-N 2.65Å
180	R	93.2	Very high	97	Very high	185 Å²	185	35.4 Å²	35.4	70%	0.698	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-40	177.8	178.3	178.4	58.5	-174.4	-5.5	111.5	D178	D178-R180 PolarHBondContact O-N 3.43Å; D178-R180 WeakPolarHBondContact OD1-CA 3.4Å; D178-R180 WeakPolarHBondContact OD1-CB 3.02Å; D178-R180 PolarHBondContact OD1-N 3.24Å
181	T	93.8	Very high	96.9	Very high	70 Å²	70	35.4 Å²	35.4	43%	0.429	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-23.3	-174.5	64.6	0	0	0	0	113.5	D178 E183	D178-T181 WeakPolarHBondContact CB-OG1 3.37Å; D178-T181 VanDerWaalsContact CG-OG1 3.3Å; D178-T181 PolarHBondContact O-N 3.36Å; D178-T181 PolarHBondContact OD1-N 3.02Å; D178-T181 PolarHBondContact OD1-OG1 3.27Å; T181-E183 WeakPolarHBondContact OG1-CB 3.32Å; T181-E183 WeakPolarHBondContact OG1-CG 3.32Å; T181-E183 PolarHBondContact OG1-N 2.73Å; T181-E183 VanDerWaalsContact OG1-N 3.16Å
182	G	93.8	Very high	96.9	Very high	27 Å²	27	34.6 Å²	34.6	28%	0.278	18%	0.18	S	C	.	.			trans	72.3	13.4	-168.9	0	0	0	0	0	113.4	Q152 D178	Q152-G182 PolarHBondContact NE2-O 2.93Å; D178-G182 WeakPolarHBondContact O-CA 3.36Å; D178-G182 PolarHBondContact O-N 2.87Å
183	E	96.3	Very high	96.8	Very high	76 Å²	76	34.4 Å²	34.4	36%	0.355	18%	0.179	S	C	.	.			trans	-75.2	134.5	175	-69.2	-178.8	156.1	0	0	110.4	R103 Q152 D178 T181	R103-E183 IonicContact NH1-OE1 3.53Å; Q152-E183 VanDerWaalsContact OE1-CA 3.29Å; D178-E183 PolarHBondContact N-O 3.31Å; T181-E183 WeakPolarHBondContact OG1-CB 3.32Å; T181-E183 WeakPolarHBondContact OG1-CG 3.32Å; T181-E183 PolarHBondContact OG1-N 2.73Å; T181-E183 VanDerWaalsContact OG1-N 3.16Å
184	L	97.7	Very high	96.9	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.7	174	-84.5	178.5	0	0	0	111.3	G104 F149 Q152 V153 L175 L176 V177	G104-L184 WeakPolarHBondContact CA-O 3.37Å; F149-L184 HydrophobicContact CB-CD1 3.61Å; F149-L184 HydrophobicContact CD1-CD1 4.04Å; F149-L184 HydrophobicContact CD1-CG 4.15Å; F149-L184 HydrophobicContact CG-CD1 3.85Å; F149-L184 HydrophobicContact CG-CG 4.36Å; F149-L184 WeakPolarHBondContact O-CD1 3.37Å; Q152-L184 HydrophobicContact CB-CB 4.08Å; Q152-L184 HydrophobicContact CB-CD1 4.35Å; V153-L184 HydrophobicContact CG2-CD1 3.74Å; L175-L184 HydrophobicContact CB-CD2 4.19Å; L176-L184 CarbonylContact O-C 3.48Å; L176-L184 VanDerWaalsContact O-CA 3.27Å; L176-L184 WeakPolarHBondContact O-CA 3.4Å; L176-L184 WeakPolarHBondContact O-CD2 3.42Å; V177-L184 HydrophobicContact CB-CD2 4.31Å; V177-L184 HydrophobicContact CG2-CD2 3.54Å
185	T	98.3	Very high	96.9	Very high	15 Å²	15	34.7 Å²	34.7	9%	0.092	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.3	174.8	-53.9	0	0	0	0	110.3	I106 L176	I106-T185 HydrophobicContact CB-CG2 3.94Å; I106-T185 HydrophobicContact CD1-CG2 3.77Å; I106-T185 VanDerWaalsContact N-CG2 3.34Å; L176-T185 PolarHBondContact N-O 2.73Å; L176-T185 PolarHBondContact O-N 2.8Å
186	L	98.7	Very high	96.9	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.2	173.4	-177.5	65.4	0	0	0	110.7	G104 V105 I106 A156 L175 F189	G104-L186 WeakPolarHBondContact O-CB 3.22Å; G104-L186 PolarHBondContact O-N 2.82Å; V105-L186 HydrophobicContact CG2-CB 4.28Å; V105-L186 HydrophobicContact CG2-CD2 4.47Å; I106-L186 PolarHBondContact N-O 3.34Å; A156-L186 HydrophobicContact CB-CB 4.3Å; A156-L186 HydrophobicContact CB-CD2 4.49Å; L175-L186 HydrophobicContact CD2-CB 4.33Å; L175-L186 HydrophobicContact CD2-CD1 3.96Å; L186-F189 HydrophobicContact CD2-CZ 4.25Å
187	I	98.1	Very high	96.8	Very high	36 Å²	36	42.6 Å²	42.6	19%	0.185	22%	0.222	C	C	.	.			trans	-125.1	171.5	-179.8	58.9	160.9	0	0	0	111.5	I106 H167 N174 L176	I106-I187 HydrophobicContact CB-CG2 3.79Å; I106-I187 HydrophobicContact CD1-CG2 4.17Å; I106-I187 HydrophobicContact CG1-CG2 4.08Å; I106-I187 HydrophobicContact CG2-CB 4.36Å; I106-I187 HydrophobicContact CG2-CG2 4Å; H167-I187 PolarHBondContact CE1-O 2.8Å; H167-I187 PolarHBondContact NE2-O 3.26Å; N174-I187 VanDerWaalsContact C-CG1 3.48Å; N174-I187 HydrophobicContact CB-CG1 4.37Å; N174-I187 VanDerWaalsContact O-CG1 3.25Å; N174-I187 WeakPolarHBondContact O-CG1 3.22Å; N174-I187 PolarHBondContact O-N 2.81Å; L176-I187 HydrophobicContact CD1-CD1 4.4Å; L176-I187 HydrophobicContact CD1-CG2 3.64Å; L176-I187 HydrophobicContact CD2-CD1 4.07Å; L176-I187 HydrophobicContact CG-CD1 3.97Å; L176-I187 HydrophobicContact CG-CG1 4.3Å; L176-I187 HydrophobicContact CG-CG2 3.84Å
188	D	96.2	Very high	96.9	Very high	31 Å²	31	46.8 Å²	46.8	17%	0.166	25%	0.247	C	C	.	.			trans	60.9	85.6	173.3	-156.1	-15.3	0	0	0	116.3	K70 H167 G190	K70-D188 IonicContact NZ-OD1 3.41Å; K70-D188 PolarHBondContact NZ-OD1 2.91Å; K70-D188 IonicContact NZ-OD2 3.99Å; H167-D188 PolarHBondContact CE1-O 3.5Å; H167-D188 PolarHBondContact NE2-O 3.44Å; D188-G190 VanDerWaalsContact C-N 3.26Å; D188-G190 PolarHBondContact O-N 3.43Å; D188-G190 PolarHBondContact OD1-N 3.32Å
189	F	97.4	Very high	97	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.			trans	-90.6	16.3	174.8	-72.5	-106	0	0	0	112.4	E91 L94 L95 V98 V105 V165 H167 L186 S191 G192	E91-F189 HydrophobicContact CG-CB 4.16Å; L94-F189 HydrophobicContact CB-CB 4.19Å; L94-F189 HydrophobicContact CB-CD1 4.11Å; L94-F189 HydrophobicContact CB-CG 4.5Å; L94-F189 HydrophobicContact CD1-CB 4.47Å; L95-F189 HydrophobicContact CD2-CB 4.38Å; L95-F189 HydrophobicContact CD2-CD2 3.44Å; L95-F189 VanDerWaalsContact CD2-CD2 3.44Å; L95-F189 HydrophobicContact CD2-CE2 3.98Å; L95-F189 HydrophobicContact CD2-CG 4.08Å; L95-F189 HydrophobicContact CG-CB 4.2Å; L95-F189 HydrophobicContact CG-CD2 4.17Å; L95-F189 HydrophobicContact CG-CG 4.34Å; V98-F189 HydrophobicContact CG1-CE1 4.03Å; V98-F189 HydrophobicContact CG1-CZ 4.36Å; V98-F189 HydrophobicContact CG2-CE1 4.07Å; V98-F189 HydrophobicContact CG2-CE2 4.28Å; V98-F189 HydrophobicContact CG2-CZ 3.84Å; V105-F189 HydrophobicContact CG1-CE2 3.6Å; V105-F189 HydrophobicContact CG1-CZ 3.5Å; V165-F189 HydrophobicContact CG1-CD1 3.84Å; V165-F189 HydrophobicContact CG1-CE1 3.79Å; H167-F189 AromaticContact CD2-CD1 3.85Å; H167-F189 AromaticContact CD2-CE1 3.65Å; H167-F189 AromaticContact CD2-CE2 3.93Å; H167-F189 AromaticContact CD2-CZ 3.68Å; L186-F189 HydrophobicContact CD2-CZ 4.25Å; F189-S191 PolarHBondContact O-N 3.28Å; F189-G192 PolarHBondContact O-N 3.32Å
190	G	96.3	Very high	97.1	Very high	20 Å²	20	43.4 Å²	43.4	21%	0.206	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.2	-178.2	0	0	0	0	0	113.5	D188	D188-G190 VanDerWaalsContact C-N 3.26Å; D188-G190 PolarHBondContact O-N 3.43Å; D188-G190 PolarHBondContact OD1-N 3.32Å
191	S	96.7	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.007	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.2	173	-67.4	0	0	0	0	113.8	F52 R168 F189 D204	F52-S191 WeakPolarHBondContact CE1-OG 3.44Å; F52-S191 WeakPolarHBondContact CZ-OG 3.47Å; R168-S191 WeakPolarHBondContact CB-O 3.24Å; R168-S191 VanDerWaalsContact CZ-O 3.23Å; R168-S191 PolarHBondContact NE-O 3.27Å; R168-S191 PolarHBondContact NH2-O 3.09Å; R168-S191 VanDerWaalsContact NH2-O 3.1Å; F189-S191 PolarHBondContact O-N 3.28Å; S191-D204 PolarHBondContact OG-O 2.96Å; S191-D204 VanDerWaalsContact OG-O 3.06Å
192	G	97.6	Very high	97.5	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	22%	0.218	C	C	.	.			trans	-70	172.1	-171.8	0	0	0	0	0	113.8	L94 V166 H167 R168 F189	L94-G192 VanDerWaalsContact CD1-CA 3.48Å; V166-G192 CarbonylContact O-C 3.2Å; V166-G192 VanDerWaalsContact O-CA 3.28Å; V166-G192 WeakPolarHBondContact O-CA 3.25Å; H167-G192 VanDerWaalsContact O-CA 3.32Å; H167-G192 WeakPolarHBondContact O-CA 3.34Å; H167-G192 PolarHBondContact O-N 2.92Å; R168-G192 PolarHBondContact NH2-O 3.39Å; F189-G192 PolarHBondContact O-N 3.32Å
193	A	98.3	Very high	97.5	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	167.8	171.7	0	0	0	0	0	112.3	V166 L195 Y200	V166-A193 HydrophobicContact CG1-CB 3.91Å; V166-A193 WeakPolarHBondContact CG1-O 3.5Å; V166-A193 PolarHBondContact N-O 3.16Å; V166-A193 PolarHBondContact O-N 2.94Å; A193-L195 PolarHBondContact O-N 2.72Å; A193-Y200 HydrophobicContact CB-CE1 3.85Å
194	I	98.4	Very high	97.3	Very high	78 Å²	78	38.4 Å²	38.4	40%	0.4	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.1	166.9	-58.6	-62.4	0	0	0	108.8	L90 L94 K97 K196 Y200	L90-I194 HydrophobicContact CD1-CG1 4.46Å; L94-I194 HydrophobicContact CD2-CD1 3.66Å; L94-I194 HydrophobicContact CD2-CG1 4.35Å; K97-I194 HydrophobicContact CD-CD1 3.89Å; I194-K196 PolarHBondContact O-N 3.41Å; I194-Y200 PolarHBondContact O-OH 2.93Å
195	L	98.6	Very high	97.2	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.147	22%	0.219	C	C	.	.			trans	-63.7	121.1	179.2	-179.8	63.8	0	0	0	110.3	Y161 G164 V166 A193 Y200	Y161-L195 HydrophobicContact CD1-CD1 4.48Å; Y161-L195 HydrophobicContact CD1-CD2 4Å; Y161-L195 HydrophobicContact CG-CD2 4.09Å; G164-L195 PolarHBondContact O-N 2.98Å; V166-L195 HydrophobicContact CB-CD1 4.13Å; A193-L195 PolarHBondContact O-N 2.72Å; L195-Y200 WeakPolarHBondContact CA-OH 3.26Å
196	K	98.3	Very high	97.1	Very high	77 Å²	77	39.6 Å²	39.6	34%	0.335	22%	0.224	S	C	.	.			trans	-128.5	155.8	171.1	74.3	-162.8	-174.6	-175.1	0	110.8	I194 T198 V199 Y200	I194-K196 PolarHBondContact O-N 3.41Å; K196-T198 VanDerWaalsContact C-N 3.33Å; K196-T198 WeakPolarHBondContact CD-OG1 3.39Å; K196-T198 WeakPolarHBondContact CG-OG1 3.48Å; K196-V199 WeakPolarHBondContact CE-O 3.28Å; K196-V199 PolarHBondContact NZ-O 3.37Å; K196-Y200 HydrophobicContact CD-CE1 4.05Å; K196-Y200 HydrophobicContact CD-CE2 4.38Å; K196-Y200 HydrophobicContact CG-CE1 4.21Å; K196-Y200 HydrophobicContact CG-CE2 3.82Å; K196-Y200 PolarHBondContact N-OH 3.44Å
197	D	97.4	Very high	97.1	Very high	119 Å²	119	45 Å²	45	64%	0.636	24%	0.244	S	C	*	.	S	Bend	trans	-84.6	-11.1	176	-61.9	-36.7	0	0	0	112.7	H221 R223	D197-H221 PolarHBondContact O-CD2 2.82Å; D197-H221 VanDerWaalsContact O-CD2 3.32Å; D197-R223 IonicContact OD1-CZ 3.53Å; D197-R223 IonicContact OD1-NH1 3.56Å; D197-R223 PolarHBondContact OD1-NH1 3.25Å; D197-R223 IonicContact OD1-NH2 3.43Å
198	T	98.3	Very high	97.1	Very high	90 Å²	90	45 Å²	45	55%	0.552	25%	0.246	S	C	*	.	S	Bend	trans	-83.9	165.5	176.2	58.1	0	0	0	0	112	K196	K196-T198 VanDerWaalsContact C-N 3.33Å; K196-T198 WeakPolarHBondContact CD-OG1 3.39Å; K196-T198 WeakPolarHBondContact CG-OG1 3.48Å
199	V	98.1	Very high	97.2	Very high	38 Å²	38	44.1 Å²	44.1	23%	0.23	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62	140	-179.6	175.4	0	0	0	0	111.8	K196 T201 R219 Y220 H221	K196-V199 WeakPolarHBondContact CE-O 3.28Å; K196-V199 PolarHBondContact NZ-O 3.37Å; V199-T201 HydrophobicContact CG1-CG2 4.18Å; V199-R219 HydrophobicContact CG1-CB 3.82Å; V199-R219 HydrophobicContact CG1-CG 4.03Å; V199-Y220 WeakPolarHBondContact CA-O 3.32Å; V199-H221 WeakPolarHBondContact CG2-NE2 3.39Å
200	Y	98.6	Very high	97.3	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.016	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-94.5	142.2	163.1	-63.8	-98.1	0	0	0	109.5	V166 A193 I194 L195 K196 R219 Y220	V166-Y200 HydrophobicContact CG1-CE1 4.34Å; V166-Y200 WeakPolarHBondContact CG1-OH 3.44Å; A193-Y200 HydrophobicContact CB-CE1 3.85Å; I194-Y200 PolarHBondContact O-OH 2.93Å; L195-Y200 WeakPolarHBondContact CA-OH 3.26Å; K196-Y200 HydrophobicContact CD-CE1 4.05Å; K196-Y200 HydrophobicContact CD-CE2 4.38Å; K196-Y200 HydrophobicContact CG-CE1 4.21Å; K196-Y200 HydrophobicContact CG-CE2 3.82Å; K196-Y200 PolarHBondContact N-OH 3.44Å; Y200-R219 WeakPolarHBondContact O-CA 3.25Å; Y200-Y220 WeakPolarHBondContact CB-OH 3.41Å; Y200-Y220 HydrophobicContact CD2-CD2 4.33Å; Y200-Y220 AromaticContact CD2-CE2 3.95Å; Y200-Y220 HydrophobicContact CD2-CE2 3.95Å; Y200-Y220 AromaticContact CG-CE2 3.88Å; Y200-Y220 HydrophobicContact CG-CE2 3.88Å; Y200-Y220 AromaticContact CG-CZ 3.88Å; Y200-Y220 PolarHBondContact N-O 3.16Å; Y200-Y220 PolarHBondContact O-N 3.15Å
201	T	98.1	Very high	97.4	Very high	94 Å²	94	43.2 Å²	43.2	58%	0.577	23%	0.231	S	C	*	.			trans	-123.7	13.6	-177	54.2	0	0	0	0	111.9	V199 H218 R219	V199-T201 HydrophobicContact CG1-CG2 4.18Å; T201-H218 WeakPolarHBondContact CA-O 3.39Å; T201-R219 HydrophobicContact CG2-CG 4.24Å
202	D	96.6	Very high	97.5	Very high	55 Å²	55	43.6 Å²	43.6	29%	0.294	23%	0.233	S	C	.	.			trans	-142.3	144.5	-171.7	60.2	-67.4	0	0	0	108	R168 Y220	R168-D202 IonicContact CZ-OD2 3.58Å; R168-D202 PolarHBondContact NH1-O 2.87Å; R168-D202 IonicContact NH1-OD2 2.73Å; R168-D202 PolarHBondContact NH1-OD2 2.93Å; R168-D202 IonicContact NH2-OD2 3.55Å; D202-Y220 WeakPolarHBondContact O-CE1 3.48Å; D202-Y220 PolarHBondContact O-OH 3Å
203	F	94.4	Very high	97.6	Very high	28 Å²	28	44.3 Å²	44.3	12%	0.123	24%	0.236	C	C	.	.			trans	-159.4	117	-177.7	-176.9	-96.1	0	0	0	109.7	G205 W214 Y220	F203-G205 WeakPolarHBondContact CE1-O 3.49Å; F203-W214 HydrophobicContact CB-CD2 3.71Å; F203-W214 VanDerWaalsContact CB-CE2 3.42Å; F203-W214 HydrophobicContact CB-CE3 3.9Å; F203-W214 HydrophobicContact CB-CG 4.47Å; F203-W214 HydrophobicContact CB-CH2 3.61Å; F203-W214 HydrophobicContact CB-CZ2 3.41Å; F203-W214 VanDerWaalsContact CB-CZ2 3.41Å; F203-W214 HydrophobicContact CB-CZ3 3.85Å; F203-W214 AromaticContact CD1-CE2 3.99Å; F203-W214 HydrophobicContact CD1-CZ2 4.49Å; F203-W214 AromaticContact CD1-NE1 3.6Å; F203-W214 HydrophobicContact CG-CD2 4.15Å; F203-W214 AromaticContact CG-CE2 3.94Å; F203-W214 HydrophobicContact CG-CG 4.43Å; F203-W214 HydrophobicContact CG-CZ2 4.34Å; F203-W214 AromaticContact CG-NE1 3.97Å; F203-Y220 HydrophobicContact CB-CE1 4.05Å; F203-Y220 HydrophobicContact CD2-CE1 4.05Å; F203-Y220 AromaticContact CD2-CZ 3.96Å
204	D	91.6	Very high	97.6	Very high	76 Å²	76	45.3 Å²	45.3	41%	0.406	24%	0.239	S	C	.	.			trans	-110.2	7.1	177.6	-69.6	-20.7	0	0	0	112.4	S191	S191-D204 PolarHBondContact OG-O 2.96Å; S191-D204 VanDerWaalsContact OG-O 3.06Å
205	G	94.9	Very high	97.6	Very high	14 Å²	14	42.3 Å²	42.3	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-76.3	-179.4	177.3	0	0	0	0	0	113.7	F203 R207	F203-G205 WeakPolarHBondContact CE1-O 3.49Å; G205-R207 PolarHBondContact O-N 3.07Å
206	T	97.3	Very high	97.6	Very high	32 Å²	32	49.5 Å²	49.5	20%	0.196	25%	0.248	C	C	.	.			trans	-72.1	120.2	-177	-56.5	0	0	0	0	111.4	D169 K171 V208 Y209 S210	D169-T206 VanDerWaalsContact OD1-CB 3.23Å; D169-T206 WeakPolarHBondContact OD1-CB 3.5Å; D169-T206 PolarHBondContact OD1-N 2.91Å; D169-T206 PolarHBondContact OD1-OG1 2.82Å; K171-T206 HydrophobicContact CD-CG2 4.33Å; K171-T206 WeakPolarHBondContact CD-OG1 3.34Å; K171-T206 VanDerWaalsContact CE-OG1 3.22Å; K171-T206 WeakPolarHBondContact CE-OG1 3.25Å; K171-T206 PolarHBondContact NZ-OG1 3.43Å; T206-V208 HydrophobicContact CG2-CG2 3.89Å; T206-V208 PolarHBondContact O-N 2.94Å; T206-Y209 HydrophobicContact CG2-CD2 3.94Å; T206-Y209 WeakPolarHBondContact O-CB 3.19Å; T206-Y209 PolarHBondContact O-N 2.95Å; T206-S210 PolarHBondContact O-N 3.02Å
207	R	97.9	Very high	97.6	Very high	116 Å²	116	51.9 Å²	51.9	44%	0.438	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.3	-41.8	-170.7	-169.9	179.8	-172.3	83.4	-1.3	114	G205 Y209 S210 I215 D247	G205-R207 PolarHBondContact O-N 3.07Å; R207-Y209 PolarHBondContact O-N 3.02Å; R207-S210 VanDerWaalsContact O-CB 3.24Å; R207-S210 WeakPolarHBondContact O-CB 3.45Å; R207-S210 PolarHBondContact O-N 3.29Å; R207-S210 PolarHBondContact O-OG 3.45Å; R207-I215 HydrophobicContact CG-CD1 4.19Å; R207-D247 IonicContact CZ-OD1 3.02Å; R207-D247 IonicContact CZ-OD2 2.68Å; R207-D247 IonicContact NE-OD1 3.6Å; R207-D247 PolarHBondContact NE-OD1 3.38Å; R207-D247 IonicContact NE-OD2 2.64Å; R207-D247 PolarHBondContact NE-OD2 3.23Å; R207-D247 IonicContact NH2-OD1 2.85Å; R207-D247 PolarHBondContact NH2-OD1 3.27Å; R207-D247 IonicContact NH2-OD2 3.73Å; R207-D247 PolarHBondContact NH2-OD2 3.43Å
208	V	98.4	Very high	97.7	Very high	38 Å²	38	51.3 Å²	51.3	23%	0.23	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-68.6	-16.3	-179.8	-63.6	0	0	0	0	113.6	T206 I242	T206-V208 HydrophobicContact CG2-CG2 3.89Å; T206-V208 PolarHBondContact O-N 2.94Å; V208-I242 HydrophobicContact CB-CD1 3.87Å; V208-I242 HydrophobicContact CG1-CD1 4.3Å; V208-I242 HydrophobicContact CG2-CD1 3.67Å
209	Y	98.8	Very high	97.7	Very high	11 Å²	11	53.7 Å²	53.7	4%	0.043	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-93.9	-3.8	171	-78.4	-97.1	0	0	0	113.1	I170 K171 D172 T206 R207 V232 L233 I242	I170-Y209 WeakPolarHBondContact O-CD1 3.4Å; K171-Y209 HydrophobicContact CB-CD1 4.08Å; K171-Y209 HydrophobicContact CB-CD2 3.98Å; K171-Y209 HydrophobicContact CB-CE1 3.72Å; K171-Y209 HydrophobicContact CB-CE2 3.6Å; K171-Y209 HydrophobicContact CB-CG 4.21Å; K171-Y209 VanDerWaalsContact CB-CZ 3.45Å; K171-Y209 HydrophobicContact CD-CE2 4.47Å; D172-Y209 PolarHBondContact OD1-OH 3.25Å; T206-Y209 HydrophobicContact CG2-CD2 3.94Å; T206-Y209 WeakPolarHBondContact O-CB 3.19Å; T206-Y209 PolarHBondContact O-N 2.95Å; R207-Y209 PolarHBondContact O-N 3.02Å; Y209-V232 HydrophobicContact CD1-CB 3.7Å; Y209-V232 HydrophobicContact CD1-CG1 3.43Å; Y209-V232 VanDerWaalsContact CD1-CG1 3.43Å; Y209-V232 HydrophobicContact CD2-CG1 4.38Å; Y209-V232 HydrophobicContact CE1-CB 3.88Å; Y209-V232 HydrophobicContact CE1-CG1 3.38Å; Y209-V232 HydrophobicContact CE2-CG1 4.35Å; Y209-V232 HydrophobicContact CG-CB 4.49Å; Y209-V232 HydrophobicContact CG-CG1 3.96Å; Y209-L233 HydrophobicContact CE1-CB 4.24Å; Y209-I242 HydrophobicContact CE2-CG2 4.13Å
210	S	98.6	Very high	97.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-79.2	146.6	-176.6	77.1	0	0	0	0	112	T206 R207 I215 W228	T206-S210 PolarHBondContact O-N 3.02Å; R207-S210 VanDerWaalsContact O-CB 3.24Å; R207-S210 WeakPolarHBondContact O-CB 3.45Å; R207-S210 PolarHBondContact O-N 3.29Å; R207-S210 PolarHBondContact O-OG 3.45Å; S210-I215 WeakPolarHBondContact OG-CD1 3.14Å; S210-W228 PolarHBondContact O-NE1 3.39Å; S210-W228 VanDerWaalsContact O-NE1 3.09Å
211	P	98.8	Very high	97.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	26%	0.26	C	S	.	.			trans	-80.2	159.2	-174.4	36.9	-40.6	0	0	0	112.4	E213 W214 I215 A225 W228	P211-E213 VanDerWaalsContact C-N 3.26Å; P211-E213 WeakPolarHBondContact CB-OE1 3.4Å; P211-E213 WeakPolarHBondContact CB-OE2 3.48Å; P211-E213 HydrophobicContact CG-CG 4.25Å; P211-E213 PolarHBondContact O-N 2.9Å; P211-E213 VanDerWaalsContact O-N 3.17Å; P211-W214 HydrophobicContact CG-CB 4.09Å; P211-W214 WeakPolarHBondContact O-CB 3.33Å; P211-W214 PolarHBondContact O-N 2.87Å; P211-I215 PolarHBondContact O-N 3.03Å; P211-A225 HydrophobicContact CG-CB 3.85Å; P211-W228 HydrophobicContact CB-CB 3.86Å; P211-W228 HydrophobicContact CB-CD2 4.1Å; P211-W228 HydrophobicContact CB-CG 3.67Å
212	P	98.8	Very high	97.7	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-31	-175.3	22.8	-34.7	0	0	0	113.7	W214 I215 R216 W228 I250 L251 L275	P212-W214 VanDerWaalsContact C-N 3.3Å; P212-W214 PolarHBondContact O-N 3.32Å; P212-I215 PolarHBondContact O-N 3.38Å; P212-R216 VanDerWaalsContact O-CB 3.26Å; P212-R216 WeakPolarHBondContact O-CB 3.15Å; P212-R216 PolarHBondContact O-N 2.85Å; P212-W228 VanDerWaalsContact CD-CZ3 3.46Å; P212-W228 HydrophobicContact CG-CE3 4.21Å; P212-W228 HydrophobicContact CG-CH2 3.96Å; P212-W228 HydrophobicContact CG-CZ3 3.78Å; P212-I250 HydrophobicContact CB-CG2 4.27Å; P212-L251 HydrophobicContact CB-CD2 4.23Å; P212-L275 HydrophobicContact CB-CD2 4.25Å; P212-L275 HydrophobicContact CG-CD2 4Å
213	E	98.8	Very high	97.8	Very high	17 Å²	17	54.7 Å²	54.7	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-29.3	174.9	64.6	-87	-157.4	0	0	113.4	P211 F217 H218 R219 P277 R280	P211-E213 VanDerWaalsContact C-N 3.26Å; P211-E213 WeakPolarHBondContact CB-OE1 3.4Å; P211-E213 WeakPolarHBondContact CB-OE2 3.48Å; P211-E213 HydrophobicContact CG-CG 4.25Å; P211-E213 PolarHBondContact O-N 2.9Å; P211-E213 VanDerWaalsContact O-N 3.17Å; E213-F217 HydrophobicContact CB-CD2 4.29Å; E213-F217 WeakPolarHBondContact O-CA 3.42Å; E213-F217 WeakPolarHBondContact O-CB 3.43Å; E213-F217 PolarHBondContact O-N 3.48Å; E213-H218 PolarHBondContact O-N 3.04Å; E213-R219 CarbonylContact C-O 3.38Å; E213-R219 VanDerWaalsContact CG-O 3.3Å; E213-R219 WeakPolarHBondContact CG-O 3.44Å; E213-P277 HydrophobicContact CB-CG 4.41Å; E213-P277 VanDerWaalsContact CD-CG 3.49Å; E213-P277 HydrophobicContact CG-CG 4.1Å; E213-P277 WeakPolarHBondContact OE1-CG 3.44Å; E213-R280 IonicContact OE1-CZ 3.72Å; E213-R280 IonicContact OE1-NH1 2.72Å; E213-R280 PolarHBondContact OE1-NH1 2.91Å; E213-R280 IonicContact OE1-NH2 2.73Å; E213-R280 PolarHBondContact OE1-NH2 3.34Å; E213-R280 IonicContact OE2-CZ 3.06Å; E213-R280 IonicContact OE2-NH1 3.96Å; E213-R280 IonicContact OE2-NH2 3.76Å; E213-R280 PolarHBondContact OE2-NH2 2.73Å
214	W	98.8	Very high	98	Very high	27 Å²	27	54.3 Å²	54.3	10%	0.102	24%	0.241	C	C	.	.	H	α-helix	trans	-70.6	-51.6	171.9	170.7	-108	0	0	0	110.2	F203 P211 P212 R216 H218 Y220	F203-W214 HydrophobicContact CB-CD2 3.71Å; F203-W214 VanDerWaalsContact CB-CE2 3.42Å; F203-W214 HydrophobicContact CB-CE3 3.9Å; F203-W214 HydrophobicContact CB-CG 4.47Å; F203-W214 HydrophobicContact CB-CH2 3.61Å; F203-W214 HydrophobicContact CB-CZ2 3.41Å; F203-W214 VanDerWaalsContact CB-CZ2 3.41Å; F203-W214 HydrophobicContact CB-CZ3 3.85Å; F203-W214 AromaticContact CD1-CE2 3.99Å; F203-W214 HydrophobicContact CD1-CZ2 4.49Å; F203-W214 AromaticContact CD1-NE1 3.6Å; F203-W214 HydrophobicContact CG-CD2 4.15Å; F203-W214 AromaticContact CG-CE2 3.94Å; F203-W214 HydrophobicContact CG-CG 4.43Å; F203-W214 HydrophobicContact CG-CZ2 4.34Å; F203-W214 AromaticContact CG-NE1 3.97Å; P211-W214 HydrophobicContact CG-CB 4.09Å; P211-W214 WeakPolarHBondContact O-CB 3.33Å; P211-W214 PolarHBondContact O-N 2.87Å; P212-W214 VanDerWaalsContact C-N 3.3Å; P212-W214 PolarHBondContact O-N 3.32Å; W214-R216 PolarHBondContact O-N 3.25Å; W214-H218 VanDerWaalsContact CE3-CA 3.44Å; W214-H218 HydrophobicContact CE3-CB 4.2Å; W214-H218 HydrophobicContact CH2-CB 4.17Å; W214-H218 VanDerWaalsContact CZ3-C 3.45Å; W214-H218 HydrophobicContact CZ3-CB 3.85Å; W214-H218 WeakPolarHBondContact CZ3-O 3.31Å; W214-H218 WeakPolarHBondContact O-CA 3.5Å; W214-H218 PolarHBondContact O-N 3.49Å; W214-H218 PolarHBondContact O-ND1 3.31Å; W214-Y220 HydrophobicContact CB-CD1 4.45Å; W214-Y220 HydrophobicContact CD2-CD1 4.46Å; W214-Y220 AromaticContact CE3-CD1 3.76Å; W214-Y220 HydrophobicContact CE3-CD1 3.76Å; W214-Y220 AromaticContact CE3-CE1 3.86Å; W214-Y220 HydrophobicContact CE3-CE1 3.86Å; W214-Y220 HydrophobicContact CZ3-CD1 4.49Å; W214-Y220 HydrophobicContact CZ3-CE1 4.26Å
215	I	98.6	Very high	98.4	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-44.6	178	-57.6	-56.9	0	0	0	110.8	R207 S210 P211 P212 D247 I250 L251	R207-I215 HydrophobicContact CG-CD1 4.19Å; S210-I215 WeakPolarHBondContact OG-CD1 3.14Å; P211-I215 PolarHBondContact O-N 3.03Å; P212-I215 PolarHBondContact O-N 3.38Å; I215-D247 HydrophobicContact CG2-CB 3.85Å; I215-I250 HydrophobicContact CD1-CD1 4.42Å; I215-I250 HydrophobicContact CG1-CD1 4.39Å; I215-I250 HydrophobicContact CG1-CG2 3.93Å; I215-L251 HydrophobicContact CB-CD2 4.09Å; I215-L251 HydrophobicContact CB-CG 4.46Å; I215-L251 HydrophobicContact CG2-CD1 3.94Å; I215-L251 HydrophobicContact CG2-CD2 3.95Å; I215-L251 HydrophobicContact CG2-CG 3.88Å
216	R	98.3	Very high	98.6	Very high	178 Å²	178	50.7 Å²	50.7	67%	0.672	22%	0.22	S	C	*	.	H	α-helix	trans	-84.2	-38.6	-173.1	-162.3	168.9	-175.3	165.5	5.8	114.9	P212 W214 L251	P212-R216 VanDerWaalsContact O-CB 3.26Å; P212-R216 WeakPolarHBondContact O-CB 3.15Å; P212-R216 PolarHBondContact O-N 2.85Å; W214-R216 PolarHBondContact O-N 3.25Å; R216-L251 HydrophobicContact CB-CD2 3.93Å
217	F	98.4	Very high	98.7	Very high	127 Å²	127	49.4 Å²	49.4	56%	0.557	21%	0.212	S	C	*	.	H	α-helix	trans	-126.3	-5	-167.4	-51.2	-61.8	0	0	0	113.9	E213 R219	E213-F217 HydrophobicContact CB-CD2 4.29Å; E213-F217 WeakPolarHBondContact O-CA 3.42Å; E213-F217 WeakPolarHBondContact O-CB 3.43Å; E213-F217 PolarHBondContact O-N 3.48Å; F217-R219 HydrophobicContact CB-CB 4.39Å; F217-R219 WeakPolarHBondContact O-CG 3.41Å; F217-R219 PolarHBondContact O-N 3.16Å
218	H	98.5	Very high	98.7	Very high	107 Å²	107	43.9 Å²	43.9	50%	0.495	19%	0.191	S	C	.	.	S	Bend	trans	55	36.6	-175.8	-59.5	17.3	0	0	0	111.6	T201 E213 W214	T201-H218 WeakPolarHBondContact CA-O 3.39Å; E213-H218 PolarHBondContact O-N 3.04Å; W214-H218 VanDerWaalsContact CE3-CA 3.44Å; W214-H218 HydrophobicContact CE3-CB 4.2Å; W214-H218 HydrophobicContact CH2-CB 4.17Å; W214-H218 VanDerWaalsContact CZ3-C 3.45Å; W214-H218 HydrophobicContact CZ3-CB 3.85Å; W214-H218 WeakPolarHBondContact CZ3-O 3.31Å; W214-H218 WeakPolarHBondContact O-CA 3.5Å; W214-H218 PolarHBondContact O-N 3.49Å; W214-H218 PolarHBondContact O-ND1 3.31Å
219	R	98.6	Very high	98.7	Very high	141 Å²	141	42.4 Å²	42.4	53%	0.532	18%	0.183	S	C	.	.			trans	-145.6	135	-175	-69.2	175.6	75.1	138.4	6.6	110.2	V199 Y200 T201 E213 F217	V199-R219 HydrophobicContact CG1-CB 3.82Å; V199-R219 HydrophobicContact CG1-CG 4.03Å; Y200-R219 WeakPolarHBondContact O-CA 3.25Å; T201-R219 HydrophobicContact CG2-CG 4.24Å; E213-R219 CarbonylContact C-O 3.38Å; E213-R219 VanDerWaalsContact CG-O 3.3Å; E213-R219 WeakPolarHBondContact CG-O 3.44Å; F217-R219 HydrophobicContact CB-CB 4.39Å; F217-R219 WeakPolarHBondContact O-CG 3.41Å; F217-R219 PolarHBondContact O-N 3.16Å
220	Y	98.8	Very high	98.7	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.024	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-153.3	166.2	175.5	63.3	-80.4	0	0	0	111.7	R168 V199 Y200 D202 F203 W214 A225	R168-Y220 WeakPolarHBondContact CD-OH 3.36Å; R168-Y220 PolarHBondContact NH1-OH 3.22Å; V199-Y220 WeakPolarHBondContact CA-O 3.32Å; Y200-Y220 WeakPolarHBondContact CB-OH 3.41Å; Y200-Y220 HydrophobicContact CD2-CD2 4.33Å; Y200-Y220 AromaticContact CD2-CE2 3.95Å; Y200-Y220 HydrophobicContact CD2-CE2 3.95Å; Y200-Y220 AromaticContact CG-CE2 3.88Å; Y200-Y220 HydrophobicContact CG-CE2 3.88Å; Y200-Y220 AromaticContact CG-CZ 3.88Å; Y200-Y220 PolarHBondContact N-O 3.16Å; Y200-Y220 PolarHBondContact O-N 3.15Å; D202-Y220 WeakPolarHBondContact O-CE1 3.48Å; D202-Y220 PolarHBondContact O-OH 3Å; F203-Y220 HydrophobicContact CB-CE1 4.05Å; F203-Y220 HydrophobicContact CD2-CE1 4.05Å; F203-Y220 AromaticContact CD2-CZ 3.96Å; W214-Y220 HydrophobicContact CB-CD1 4.45Å; W214-Y220 HydrophobicContact CD2-CD1 4.46Å; W214-Y220 AromaticContact CE3-CD1 3.76Å; W214-Y220 HydrophobicContact CE3-CD1 3.76Å; W214-Y220 AromaticContact CE3-CE1 3.86Å; W214-Y220 HydrophobicContact CE3-CE1 3.86Å; W214-Y220 HydrophobicContact CZ3-CD1 4.49Å; W214-Y220 HydrophobicContact CZ3-CE1 4.26Å; Y220-A225 HydrophobicContact CD2-CB 3.51Å; Y220-A225 HydrophobicContact CE2-CB 4.29Å; Y220-A225 HydrophobicContact CG-CB 4.14Å
221	H	98.8	Very high	98.8	Very high	88 Å²	88	41.9 Å²	41.9	41%	0.407	18%	0.181	S	C	.	.			trans	-105.9	139.4	166	-66.5	89	0	0	0	108.9	D197 V199 R223 S224 A225	D197-H221 PolarHBondContact O-CD2 2.82Å; D197-H221 VanDerWaalsContact O-CD2 3.32Å; V199-H221 WeakPolarHBondContact CG2-NE2 3.39Å; H221-R223 PolarHBondContact O-N 2.93Å; H221-S224 PolarHBondContact O-OG 3.17Å; H221-A225 VanDerWaalsContact O-CB 3.31Å; H221-A225 WeakPolarHBondContact O-CB 3.39Å; H221-A225 PolarHBondContact O-N 3.04Å
222	G	98.5	Very high	98.8	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-48.1	-170.5	0	0	0	0	0	113.5	A225 T226	G222-A225 PolarHBondContact O-N 3.15Å; G222-T226 PolarHBondContact O-N 2.97Å; G222-T226 PolarHBondContact O-OG1 2.78Å; G222-T226 VanDerWaalsContact O-OG1 3.07Å
223	R	98.7	Very high	98.8	Very high	115 Å²	115	41.4 Å²	41.4	43%	0.434	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-49	-175.2	-64.5	-172	-177.8	83.3	-5.1	113.3	Y161 D197 H221 A225 T226 V227	Y161-R223 HydrophobicContact CD2-CG 4.5Å; Y161-R223 HydrophobicContact CE2-CB 4.48Å; Y161-R223 HydrophobicContact CE2-CG 3.88Å; Y161-R223 WeakPolarHBondContact OH-CA 3.49Å; D197-R223 IonicContact OD1-CZ 3.53Å; D197-R223 IonicContact OD1-NH1 3.56Å; D197-R223 PolarHBondContact OD1-NH1 3.25Å; D197-R223 IonicContact OD1-NH2 3.43Å; H221-R223 PolarHBondContact O-N 2.93Å; R223-A225 VanDerWaalsContact C-N 3.33Å; R223-A225 PolarHBondContact O-N 3.08Å; R223-T226 PolarHBondContact O-N 3.33Å; R223-V227 WeakPolarHBondContact O-CG2 3.39Å; R223-V227 PolarHBondContact O-N 3.01Å; R223-V227 VanDerWaalsContact O-N 3.07Å
224	S	98.9	Very high	98.8	Very high	20 Å²	20	40.6 Å²	40.6	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-31.8	179.7	58.1	0	0	0	0	112.4	H221 V227 W228 R280	H221-S224 PolarHBondContact O-OG 3.17Å; S224-V227 PolarHBondContact O-N 3.37Å; S224-W228 PolarHBondContact O-N 3.17Å; S224-R280 VanDerWaalsContact O-CD 3.3Å; S224-R280 WeakPolarHBondContact O-CD 3.32Å; S224-R280 PolarHBondContact O-NH1 3.36Å
225	A	98.9	Very high	98.8	Very high	10 Å²	10	39.5 Å²	39.5	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-41.5	174	0	0	0	0	0	111.9	P211 Y220 H221 G222 R223 V227 W228 S229	P211-A225 HydrophobicContact CG-CB 3.85Å; Y220-A225 HydrophobicContact CD2-CB 3.51Å; Y220-A225 HydrophobicContact CE2-CB 4.29Å; Y220-A225 HydrophobicContact CG-CB 4.14Å; H221-A225 VanDerWaalsContact O-CB 3.31Å; H221-A225 WeakPolarHBondContact O-CB 3.39Å; H221-A225 PolarHBondContact O-N 3.04Å; G222-A225 PolarHBondContact O-N 3.15Å; R223-A225 VanDerWaalsContact C-N 3.33Å; R223-A225 PolarHBondContact O-N 3.08Å; A225-V227 VanDerWaalsContact C-N 3.32Å; A225-V227 PolarHBondContact O-N 3.31Å; A225-W228 WeakPolarHBondContact O-CB 3.27Å; A225-W228 PolarHBondContact O-N 3.36Å; A225-S229 PolarHBondContact O-N 3.2Å; A225-S229 VanDerWaalsContact O-N 3.09Å
226	T	98.9	Very high	98.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-38.9	172.9	-63.9	0	0	0	0	112.3	V157 Y161 I170 G222 R223 W228 S229 L230	V157-T226 HydrophobicContact CG1-CG2 3.7Å; V157-T226 HydrophobicContact CG2-CG2 4.45Å; Y161-T226 WeakPolarHBondContact OH-CB 3.3Å; Y161-T226 VanDerWaalsContact OH-CG2 3.23Å; Y161-T226 WeakPolarHBondContact OH-CG2 3.43Å; Y161-T226 PolarHBondContact OH-OG1 3Å; I170-T226 HydrophobicContact CD1-CG2 3.5Å; G222-T226 PolarHBondContact O-N 2.97Å; G222-T226 PolarHBondContact O-OG1 2.78Å; G222-T226 VanDerWaalsContact O-OG1 3.07Å; R223-T226 PolarHBondContact O-N 3.33Å; T226-W228 VanDerWaalsContact C-N 3.26Å; T226-W228 PolarHBondContact O-N 3.46Å; T226-S229 WeakPolarHBondContact CA-OG 3.49Å; T226-S229 PolarHBondContact O-N 3.18Å; T226-S229 PolarHBondContact O-OG 3.42Å; T226-L230 HydrophobicContact CG2-CD1 3.92Å; T226-L230 HydrophobicContact CG2-CG 4.25Å; T226-L230 WeakPolarHBondContact O-CB 3.49Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.26Å; T226-L230 PolarHBondContact O-N 3.43Å
227	V	98.9	Very high	98.8	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-36.5	176.1	172.3	0	0	0	0	111.6	R223 S224 A225 L230 G231 C272 R280 P281 L283 I286	R223-V227 WeakPolarHBondContact O-CG2 3.39Å; R223-V227 PolarHBondContact O-N 3.01Å; R223-V227 VanDerWaalsContact O-N 3.07Å; S224-V227 PolarHBondContact O-N 3.37Å; A225-V227 VanDerWaalsContact C-N 3.32Å; A225-V227 PolarHBondContact O-N 3.31Å; V227-L230 PolarHBondContact O-N 3.23Å; V227-G231 PolarHBondContact O-N 2.96Å; V227-C272 HydrophobicContact CG1-CB 4.07Å; V227-R280 HydrophobicContact CB-CB 4.37Å; V227-R280 HydrophobicContact CG1-CB 3.8Å; V227-R280 HydrophobicContact CG1-CG 4.48Å; V227-P281 HydrophobicContact CG1-CG 4.19Å; V227-P281 WeakPolarHBondContact CG2-O 3.39Å; V227-L283 HydrophobicContact CG2-CD2 4.4Å; V227-I286 HydrophobicContact CG1-CD1 4.08Å; V227-I286 HydrophobicContact CG2-CD1 4.27Å
228	W	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-51.2	172.2	177.7	-83.5	0	0	0	111.6	S210 P211 P212 S224 A225 T226 L230 G231 V232 F244 I250 L273 L275	S210-W228 PolarHBondContact O-NE1 3.39Å; S210-W228 VanDerWaalsContact O-NE1 3.09Å; P211-W228 HydrophobicContact CB-CB 3.86Å; P211-W228 HydrophobicContact CB-CD2 4.1Å; P211-W228 HydrophobicContact CB-CG 3.67Å; P212-W228 VanDerWaalsContact CD-CZ3 3.46Å; P212-W228 HydrophobicContact CG-CE3 4.21Å; P212-W228 HydrophobicContact CG-CH2 3.96Å; P212-W228 HydrophobicContact CG-CZ3 3.78Å; S224-W228 PolarHBondContact O-N 3.17Å; A225-W228 WeakPolarHBondContact O-CB 3.27Å; A225-W228 PolarHBondContact O-N 3.36Å; T226-W228 VanDerWaalsContact C-N 3.26Å; T226-W228 PolarHBondContact O-N 3.46Å; W228-L230 VanDerWaalsContact C-N 3.26Å; W228-L230 PolarHBondContact O-N 2.98Å; W228-G231 WeakPolarHBondContact O-CA 3.46Å; W228-G231 PolarHBondContact O-N 3.34Å; W228-V232 PolarHBondContact O-N 3.33Å; W228-F244 HydrophobicContact CH2-CE2 4.06Å; W228-F244 HydrophobicContact CZ2-CD2 4.1Å; W228-F244 AromaticContact CZ2-CE2 3.67Å; W228-F244 HydrophobicContact CZ2-CE2 3.67Å; W228-I250 HydrophobicContact CZ2-CG2 3.87Å; W228-L273 HydrophobicContact CD2-CD2 3.67Å; W228-L273 HydrophobicContact CE3-CB 4.38Å; W228-L273 HydrophobicContact CE3-CD2 3.88Å; W228-L273 HydrophobicContact CG-CD2 4.08Å; W228-L273 HydrophobicContact CH2-CB 4.48Å; W228-L273 HydrophobicContact CH2-CD2 4.35Å; W228-L273 HydrophobicContact CZ2-CD2 4.14Å; W228-L273 HydrophobicContact CZ3-CB 4.14Å; W228-L273 HydrophobicContact CZ3-CD2 4.23Å; W228-L273 VanDerWaalsContact CZ3-O 3.28Å; W228-L273 WeakPolarHBondContact CZ3-O 3.48Å; W228-L273 VanDerWaalsContact O-CD2 3.32Å; W228-L273 WeakPolarHBondContact O-CD2 3.1Å; W228-L275 HydrophobicContact CH2-CD2 4.35Å; W228-L275 HydrophobicContact CZ3-CD2 4.44Å
229	S	98.9	Very high	98.8	Very high	8 Å²	8	20.4 Å²	20.4	6%	0.056	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-34.2	179.4	66.5	0	0	0	0	112.3	A225 T226 G231 V232 L233	A225-S229 PolarHBondContact O-N 3.2Å; A225-S229 VanDerWaalsContact O-N 3.09Å; T226-S229 WeakPolarHBondContact CA-OG 3.49Å; T226-S229 PolarHBondContact O-N 3.18Å; T226-S229 PolarHBondContact O-OG 3.42Å; S229-G231 VanDerWaalsContact C-N 3.34Å; S229-V232 PolarHBondContact O-N 2.95Å; S229-L233 WeakPolarHBondContact O-CB 3.4Å; S229-L233 PolarHBondContact O-N 3.41Å
230	L	98.9	Very high	98.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.2	-36.9	171.6	-72.8	168.2	0	0	0	112.4	F150 V153 L154 V157 I170 T226 V227 W228 L234 L283	F150-L230 HydrophobicContact CE2-CB 4.01Å; F150-L230 HydrophobicContact CE2-CD2 3.96Å; F150-L230 VanDerWaalsContact CE2-O 3.3Å; F150-L230 WeakPolarHBondContact CE2-O 3.34Å; F150-L230 HydrophobicContact CZ-CB 4.01Å; F150-L230 HydrophobicContact CZ-CD2 4.43Å; V153-L230 HydrophobicContact CG1-CD2 3.61Å; L154-L230 HydrophobicContact CD2-CD1 3.82Å; L154-L230 HydrophobicContact CD2-CD2 4.44Å; V157-L230 HydrophobicContact CG2-CD2 4.43Å; I170-L230 HydrophobicContact CG2-CD2 4.16Å; T226-L230 HydrophobicContact CG2-CD1 3.92Å; T226-L230 HydrophobicContact CG2-CG 4.25Å; T226-L230 WeakPolarHBondContact O-CB 3.49Å; T226-L230 VanDerWaalsContact O-CG 3.25Å; T226-L230 WeakPolarHBondContact O-CG 3.26Å; T226-L230 PolarHBondContact O-N 3.43Å; V227-L230 PolarHBondContact O-N 3.23Å; W228-L230 VanDerWaalsContact C-N 3.26Å; W228-L230 PolarHBondContact O-N 2.98Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 PolarHBondContact O-N 3.39Å; L230-L283 HydrophobicContact CD1-CD2 3.68Å
231	G	98.9	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-41	173.4	0	0	0	0	0	112.9	V227 W228 S229 Y235	V227-G231 PolarHBondContact O-N 2.96Å; W228-G231 WeakPolarHBondContact O-CA 3.46Å; W228-G231 PolarHBondContact O-N 3.34Å; S229-G231 VanDerWaalsContact C-N 3.34Å; G231-Y235 WeakPolarHBondContact O-CB 3.38Å; G231-Y235 PolarHBondContact O-N 2.98Å; G231-Y235 VanDerWaalsContact O-N 3.08Å
232	V	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-49.9	173.9	177.4	0	0	0	0	109.9	Y209 W228 S229 L234 Y235 D236 I242 P243 L273	Y209-V232 HydrophobicContact CD1-CB 3.7Å; Y209-V232 HydrophobicContact CD1-CG1 3.43Å; Y209-V232 VanDerWaalsContact CD1-CG1 3.43Å; Y209-V232 HydrophobicContact CD2-CG1 4.38Å; Y209-V232 HydrophobicContact CE1-CB 3.88Å; Y209-V232 HydrophobicContact CE1-CG1 3.38Å; Y209-V232 HydrophobicContact CE2-CG1 4.35Å; Y209-V232 HydrophobicContact CG-CB 4.49Å; Y209-V232 HydrophobicContact CG-CG1 3.96Å; W228-V232 PolarHBondContact O-N 3.33Å; S229-V232 PolarHBondContact O-N 2.95Å; V232-L234 PolarHBondContact O-N 3.23Å; V232-Y235 WeakPolarHBondContact O-CB 3.32Å; V232-Y235 PolarHBondContact O-N 2.98Å; V232-D236 WeakPolarHBondContact O-CB 3.41Å; V232-D236 PolarHBondContact O-N 2.94Å; V232-I242 HydrophobicContact CG1-CB 4.47Å; V232-I242 HydrophobicContact CG1-CG2 4.17Å; V232-P243 HydrophobicContact CG1-CG 4.37Å; V232-P243 HydrophobicContact CG2-CG 4.48Å; V232-L273 HydrophobicContact CG2-CD2 3.83Å
233	L	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.2	-43.5	178.8	178.3	63.6	0	0	0	112.7	L131 V153 I170 D172 L175 Y209 S229 Y235 D236 M237	L131-L233 HydrophobicContact CD2-CD1 4.21Å; V153-L233 HydrophobicContact CG1-CD2 4Å; V153-L233 HydrophobicContact CG2-CD2 4.28Å; I170-L233 HydrophobicContact CG2-CD2 3.93Å; D172-L233 HydrophobicContact CB-CD1 4.05Å; L175-L233 HydrophobicContact CD1-CD1 4.21Å; L175-L233 HydrophobicContact CD1-CD2 3.63Å; Y209-L233 HydrophobicContact CE1-CB 4.24Å; S229-L233 WeakPolarHBondContact O-CB 3.4Å; S229-L233 PolarHBondContact O-N 3.41Å; L233-Y235 VanDerWaalsContact C-N 3.33Å; L233-Y235 PolarHBondContact O-N 3.08Å; L233-D236 WeakPolarHBondContact O-CB 3.42Å; L233-D236 PolarHBondContact O-N 3.41Å; L233-M237 HydrophobicContact CD1-CE 4.01Å; L233-M237 HydrophobicContact CD2-CE 3.96Å; L233-M237 HydrophobicContact CG-CE 3.77Å; L233-M237 WeakPolarHBondContact O-CG 3.38Å; L233-M237 PolarHBondContact O-N 3.02Å
234	L	98.9	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.8	-39.4	178.5	177.7	57.6	0	0	0	111.5	F150 L230 V232 D236 M237 V238 L268 I269 W291	F150-L234 HydrophobicContact CB-CD1 4.37Å; F150-L234 HydrophobicContact CD1-CD1 4.4Å; F150-L234 HydrophobicContact CD1-CD2 4.24Å; F150-L234 HydrophobicContact CD2-CB 4.02Å; F150-L234 HydrophobicContact CD2-CD1 4.31Å; F150-L234 HydrophobicContact CE1-CD2 3.97Å; F150-L234 HydrophobicContact CE2-CB 3.75Å; F150-L234 HydrophobicContact CG-CD1 4.12Å; F150-L234 HydrophobicContact CZ-CB 4.04Å; F150-L234 HydrophobicContact CZ-CD2 4.16Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 PolarHBondContact O-N 3.39Å; V232-L234 PolarHBondContact O-N 3.23Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-M237 PolarHBondContact O-N 3.28Å; L234-V238 HydrophobicContact CD1-CG1 4.34Å; L234-V238 WeakPolarHBondContact O-CG2 3.27Å; L234-V238 PolarHBondContact O-N 2.92Å; L234-L268 HydrophobicContact CD2-CD2 3.84Å; L234-L268 HydrophobicContact CD2-CG 4.06Å; L234-I269 HydrophobicContact CB-CG1 4.22Å; L234-I269 HydrophobicContact CD2-CD1 4.43Å; L234-I269 HydrophobicContact CD2-CG1 3.67Å; L234-I269 HydrophobicContact CG-CD1 4.07Å; L234-I269 HydrophobicContact CG-CG1 3.7Å; L234-W291 HydrophobicContact CD1-CH2 3.37Å; L234-W291 HydrophobicContact CD1-CZ2 4.2Å; L234-W291 HydrophobicContact CD1-CZ3 3.66Å; L234-W291 HydrophobicContact CD2-CE3 4.38Å; L234-W291 HydrophobicContact CD2-CH2 4.45Å; L234-W291 HydrophobicContact CD2-CZ3 4Å
235	Y	98.9	Very high	98.6	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-47.1	173.1	179.5	-79	0	0	0	110.7	G231 V232 L233 M237 V238 C239 D241 P243 L255 Y256 F257 I269	G231-Y235 WeakPolarHBondContact O-CB 3.38Å; G231-Y235 PolarHBondContact O-N 2.98Å; G231-Y235 VanDerWaalsContact O-N 3.08Å; V232-Y235 WeakPolarHBondContact O-CB 3.32Å; V232-Y235 PolarHBondContact O-N 2.98Å; L233-Y235 VanDerWaalsContact C-N 3.33Å; L233-Y235 PolarHBondContact O-N 3.08Å; Y235-M237 PolarHBondContact O-N 2.91Å; Y235-V238 PolarHBondContact O-N 3.45Å; Y235-C239 HydrophobicContact CD1-CB 3.95Å; Y235-C239 HydrophobicContact CE1-CB 3.57Å; Y235-C239 HydrophobicContact CE2-CB 4.5Å; Y235-C239 VanDerWaalsContact CZ-SG 3.53Å; Y235-C239 VanDerWaalsContact O-CB 3.22Å; Y235-C239 WeakPolarHBondContact O-CB 3.28Å; Y235-C239 PolarHBondContact O-N 2.83Å; Y235-D241 WeakPolarHBondContact CD1-O 3.47Å; Y235-D241 WeakPolarHBondContact CE1-O 3.15Å; Y235-P243 HydrophobicContact CD1-CB 3.66Å; Y235-P243 VanDerWaalsContact CD1-CD 3.45Å; Y235-P243 HydrophobicContact CD1-CG 3.91Å; Y235-P243 HydrophobicContact CD2-CB 4.02Å; Y235-P243 VanDerWaalsContact CE1-CA 3.49Å; Y235-P243 HydrophobicContact CE1-CB 3.72Å; Y235-P243 HydrophobicContact CE1-CG 4.42Å; Y235-P243 HydrophobicContact CE2-CB 4.08Å; Y235-P243 HydrophobicContact CG-CB 3.81Å; Y235-P243 HydrophobicContact CG-CG 4Å; Y235-L255 HydrophobicContact CD2-CD2 4.36Å; Y235-Y256 PolarHBondContact OH-O 2.89Å; Y235-F257 HydrophobicContact CD2-CD1 4.13Å; Y235-F257 AromaticContact CD2-CE1 3.73Å; Y235-F257 HydrophobicContact CD2-CE1 3.73Å; Y235-F257 HydrophobicContact CD2-CZ 4.34Å; Y235-F257 AromaticContact CE2-CD1 3.86Å; Y235-F257 HydrophobicContact CE2-CD1 3.86Å; Y235-F257 AromaticContact CE2-CE1 3.89Å; Y235-F257 HydrophobicContact CE2-CE1 3.89Å; Y235-F257 HydrophobicContact CE2-CG 4.44Å; Y235-F257 HydrophobicContact CE2-CZ 4.49Å; Y235-I269 HydrophobicContact CD2-CG2 4.23Å
236	D	98.8	Very high	98.5	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-57.3	-47.9	178	175.6	56.5	0	0	0	112	I135 V232 L233 L234 V238 C239 G240 D241 I242	I135-D236 WeakPolarHBondContact CD1-OD2 3.44Å; V232-D236 WeakPolarHBondContact O-CB 3.41Å; V232-D236 PolarHBondContact O-N 2.94Å; L233-D236 WeakPolarHBondContact O-CB 3.42Å; L233-D236 PolarHBondContact O-N 3.41Å; L234-D236 VanDerWaalsContact C-N 3.34Å; D236-V238 VanDerWaalsContact C-N 3.34Å; D236-V238 PolarHBondContact O-N 2.76Å; D236-C239 PolarHBondContact O-N 3.3Å; D236-G240 WeakPolarHBondContact O-CA 3.34Å; D236-G240 PolarHBondContact O-N 3.5Å; D236-D241 WeakPolarHBondContact CA-O 3.49Å; D236-D241 VanDerWaalsContact OD1-C 3.32Å; D236-D241 WeakPolarHBondContact OD1-CA 3.39Å; D236-D241 PolarHBondContact OD1-N 3.24Å; D236-I242 HydrophobicContact CB-CG2 4.25Å
237	M	98.8	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.2	-46.5	174.9	-71.8	173.3	179	0	0	113.1	L131 I135 L141 A146 F149 F150 V153 L233 L234 Y235	L131-M237 HydrophobicContact CD2-CE 3.44Å; L131-M237 VanDerWaalsContact CD2-CE 3.44Å; L131-M237 HydrophobicContact CD2-CG 4.33Å; I135-M237 HydrophobicContact CD1-CG 4.29Å; L141-M237 WeakPolarHBondContact CB-O 3.5Å; L141-M237 HydrophobicContact CD1-CB 4.19Å; L141-M237 HydrophobicContact CD1-CG 4.29Å; L141-M237 WeakPolarHBondContact CG-O 3.38Å; L141-M237 PolarHBondContact N-O 2.91Å; A146-M237 HydrophobicContact CB-CB 4.09Å; F149-M237 HydrophobicContact CB-CE 4.13Å; F149-M237 HydrophobicContact CB-SD 4.44Å; F150-M237 HydrophobicContact CB-SD 4.28Å; F150-M237 HydrophobicContact CD2-SD 4.44Å; V153-M237 HydrophobicContact CG2-CE 4.32Å; L233-M237 HydrophobicContact CD1-CE 4.01Å; L233-M237 HydrophobicContact CD2-CE 3.96Å; L233-M237 HydrophobicContact CG-CE 3.77Å; L233-M237 WeakPolarHBondContact O-CG 3.38Å; L233-M237 PolarHBondContact O-N 3.02Å; L234-M237 PolarHBondContact O-N 3.28Å; Y235-M237 PolarHBondContact O-N 2.91Å
238	V	98.6	Very high	98.5	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-92.7	-13.1	-172.9	-55.7	0	0	0	0	114.3	A140 E143 A146 L234 Y235 D236 V261 I269	A140-V238 WeakPolarHBondContact CB-O 3.5Å; E143-V238 HydrophobicContact CG-CG1 4.46Å; A146-V238 HydrophobicContact CB-CG1 3.72Å; L234-V238 HydrophobicContact CD1-CG1 4.34Å; L234-V238 WeakPolarHBondContact O-CG2 3.27Å; L234-V238 PolarHBondContact O-N 2.92Å; Y235-V238 PolarHBondContact O-N 3.45Å; D236-V238 VanDerWaalsContact C-N 3.34Å; D236-V238 PolarHBondContact O-N 2.76Å; V238-V261 HydrophobicContact CB-CG2 4.33Å; V238-V261 HydrophobicContact CG2-CG1 4.12Å; V238-V261 HydrophobicContact CG2-CG2 3.96Å; V238-I269 HydrophobicContact CG2-CD1 3.91Å
239	C	98.2	Very high	98.5	Very high	12 Å²	12	30.5 Å²	30.5	8%	0.081	16%	0.159	C	C	.	.	H	α-helix	trans	-107.8	-20.1	176.6	-64.3	0	0	0	0	113.3	Y235 D236 D241	Y235-C239 HydrophobicContact CD1-CB 3.95Å; Y235-C239 HydrophobicContact CE1-CB 3.57Å; Y235-C239 HydrophobicContact CE2-CB 4.5Å; Y235-C239 VanDerWaalsContact CZ-SG 3.53Å; Y235-C239 VanDerWaalsContact O-CB 3.22Å; Y235-C239 WeakPolarHBondContact O-CB 3.28Å; Y235-C239 PolarHBondContact O-N 2.83Å; D236-C239 PolarHBondContact O-N 3.3Å; C239-D241 VanDerWaalsContact C-N 3.28Å
240	G	97.8	Very high	98.5	Very high	30 Å²	30	30.2 Å²	30.2	31%	0.309	16%	0.156	S	C	.	.	S	Bend	trans	74.7	17	-176.2	0	0	0	0	0	113.8	A140 D236	A140-G240 VanDerWaalsContact CB-N 3.3Å; D236-G240 WeakPolarHBondContact O-CA 3.34Å; D236-G240 PolarHBondContact O-N 3.5Å
241	D	97.8	Very high	98.4	Very high	58 Å²	58	33.4 Å²	33.4	31%	0.31	17%	0.173	S	C	.	.	S	Bend	trans	-166.1	156	179.9	-164.5	7.5	0	0	0	109.2	Y235 D236 C239 R258	Y235-D241 WeakPolarHBondContact CD1-O 3.47Å; Y235-D241 WeakPolarHBondContact CE1-O 3.15Å; D236-D241 WeakPolarHBondContact CA-O 3.49Å; D236-D241 VanDerWaalsContact OD1-C 3.32Å; D236-D241 WeakPolarHBondContact OD1-CA 3.39Å; D236-D241 PolarHBondContact OD1-N 3.24Å; C239-D241 VanDerWaalsContact C-N 3.28Å; D241-R258 IonicContact OD2-CZ 3.52Å; D241-R258 IonicContact OD2-NH1 3.42Å; D241-R258 PolarHBondContact OD2-NH1 2.8Å; D241-R258 IonicContact OD2-NH2 3.45Å
242	I	98.3	Very high	98.4	Very high	27 Å²	27	39.7 Å²	39.7	14%	0.138	20%	0.203	C	C	.	.			trans	-71.9	154.6	-179.6	57.9	175.5	0	0	0	112.3	V208 Y209 V232 D236 F244	V208-I242 HydrophobicContact CB-CD1 3.87Å; V208-I242 HydrophobicContact CG1-CD1 4.3Å; V208-I242 HydrophobicContact CG2-CD1 3.67Å; Y209-I242 HydrophobicContact CE2-CG2 4.13Å; V232-I242 HydrophobicContact CG1-CB 4.47Å; V232-I242 HydrophobicContact CG1-CG2 4.17Å; D236-I242 HydrophobicContact CB-CG2 4.25Å; I242-F244 WeakPolarHBondContact CD1-O 3.4Å
243	P	98.3	Very high	98.2	Very high	20 Å²	20	40.7 Å²	40.7	13%	0.13	21%	0.213	C	C	.	.	S	Bend	trans	-78.7	-21.6	-177.4	28.5	-30.9	0	0	0	114.4	V232 Y235 L255 L273	V232-P243 HydrophobicContact CG1-CG 4.37Å; V232-P243 HydrophobicContact CG2-CG 4.48Å; Y235-P243 HydrophobicContact CD1-CB 3.66Å; Y235-P243 VanDerWaalsContact CD1-CD 3.45Å; Y235-P243 HydrophobicContact CD1-CG 3.91Å; Y235-P243 HydrophobicContact CD2-CB 4.02Å; Y235-P243 VanDerWaalsContact CE1-CA 3.49Å; Y235-P243 HydrophobicContact CE1-CB 3.72Å; Y235-P243 HydrophobicContact CE1-CG 4.42Å; Y235-P243 HydrophobicContact CE2-CB 4.08Å; Y235-P243 HydrophobicContact CG-CB 3.81Å; Y235-P243 HydrophobicContact CG-CG 4Å; P243-L255 HydrophobicContact CB-CD2 3.6Å; P243-L255 HydrophobicContact CG-CD2 4.33Å; P243-L273 HydrophobicContact CG-CD1 4.31Å
244	F	98.4	Very high	98.1	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	25%	0.25	C	S	.	.			trans	-140.2	133.8	-172.8	-44.5	-59.4	0	0	0	110.3	W228 I242 E249 I250 L255 L273	W228-F244 HydrophobicContact CH2-CE2 4.06Å; W228-F244 HydrophobicContact CZ2-CD2 4.1Å; W228-F244 AromaticContact CZ2-CE2 3.67Å; W228-F244 HydrophobicContact CZ2-CE2 3.67Å; I242-F244 WeakPolarHBondContact CD1-O 3.4Å; F244-E249 HydrophobicContact CB-CB 4.05Å; F244-E249 HydrophobicContact CD1-CB 3.93Å; F244-E249 HydrophobicContact CG-CB 4.38Å; F244-I250 HydrophobicContact CB-CG1 3.65Å; F244-I250 HydrophobicContact CD2-CG1 4.14Å; F244-I250 HydrophobicContact CG-CG1 4.1Å; F244-L255 HydrophobicContact CE1-CD2 3.94Å; F244-L255 HydrophobicContact CE2-CD2 4.29Å; F244-L255 HydrophobicContact CZ-CD2 3.5Å; F244-L255 HydrophobicContact CZ-CG 4.3Å; F244-L273 HydrophobicContact CE2-CD1 4.17Å; F244-L273 HydrophobicContact CZ-CD1 4.45Å
245	E	97.3	Very high	98	Very high	117 Å²	117	52.3 Å²	52.3	55%	0.547	26%	0.259	S	S	.	.	S	Bend	trans	-111.3	-26.5	176.9	-65.8	176.5	-161.6	0	0	111.7	E249	E245-E249 PolarHBondContact N-OE2 3.32Å
246	Q	98.1	Very high	97.9	Very high	116 Å²	116	60.3 Å²	60.3	54%	0.542	29%	0.291	S	S	.	.	S	Bend	trans	-118.7	153.3	-175.9	-57.6	-175	-0.2	0	0	113	E248 E249 I250	Q246-E248 PolarHBondContact O-N 2.79Å; Q246-E249 HydrophobicContact CB-CG 4.28Å; Q246-E249 PolarHBondContact N-OE2 3.37Å; Q246-E249 WeakPolarHBondContact O-CB 3.36Å; Q246-E249 PolarHBondContact O-N 3.47Å; Q246-I250 PolarHBondContact O-N 3.07Å; Q246-I250 VanDerWaalsContact O-N 3.15Å
247	D	98.4	Very high	97.8	Very high	44 Å²	44	61.4 Å²	61.4	24%	0.235	30%	0.295	C	S	.	.	H	α-helix	trans	-55.3	-40.2	177.9	-76.4	2.5	0	0	0	111.8	R207 I215 E249 I250 L251	R207-D247 IonicContact CZ-OD1 3.02Å; R207-D247 IonicContact CZ-OD2 2.68Å; R207-D247 IonicContact NE-OD1 3.6Å; R207-D247 PolarHBondContact NE-OD1 3.38Å; R207-D247 IonicContact NE-OD2 2.64Å; R207-D247 PolarHBondContact NE-OD2 3.23Å; R207-D247 IonicContact NH2-OD1 2.85Å; R207-D247 PolarHBondContact NH2-OD1 3.27Å; R207-D247 IonicContact NH2-OD2 3.73Å; R207-D247 PolarHBondContact NH2-OD2 3.43Å; I215-D247 HydrophobicContact CG2-CB 3.85Å; D247-E249 VanDerWaalsContact C-N 3.28Å; D247-E249 PolarHBondContact O-N 2.75Å; D247-I250 PolarHBondContact O-N 3.14Å; D247-L251 WeakPolarHBondContact O-CB 3.36Å; D247-L251 WeakPolarHBondContact O-CG 3.41Å; D247-L251 PolarHBondContact O-N 3.16Å
248	E	98.3	Very high	97.2	Very high	112 Å²	112	68.1 Å²	68.1	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-36.7	178.4	-70.3	69.8	-155.3	0	0	112.3	Q246 Q252	Q246-E248 PolarHBondContact O-N 2.79Å; E248-Q252 WeakPolarHBondContact O-CB 3.19Å; E248-Q252 WeakPolarHBondContact O-CG 3.36Å; E248-Q252 PolarHBondContact O-N 3.11Å
249	E	98.5	Very high	96.9	Very high	76 Å²	76	74.2 Å²	74.2	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-72.2	-43.1	179.2	-59.9	178	129.6	0	0	110.8	F244 E245 Q246 D247 L251 Q252 G253	F244-E249 HydrophobicContact CB-CB 4.05Å; F244-E249 HydrophobicContact CD1-CB 3.93Å; F244-E249 HydrophobicContact CG-CB 4.38Å; E245-E249 PolarHBondContact N-OE2 3.32Å; Q246-E249 HydrophobicContact CB-CG 4.28Å; Q246-E249 PolarHBondContact N-OE2 3.37Å; Q246-E249 WeakPolarHBondContact O-CB 3.36Å; Q246-E249 PolarHBondContact O-N 3.47Å; D247-E249 VanDerWaalsContact C-N 3.28Å; D247-E249 PolarHBondContact O-N 2.75Å; E249-L251 VanDerWaalsContact C-N 3.3Å; E249-L251 PolarHBondContact O-N 3.13Å; E249-Q252 PolarHBondContact O-N 3.17Å; E249-G253 PolarHBondContact O-N 3.19Å
250	I	98.7	Very high	96.8	Very high	1 Å²	1	85.7 Å²	85.7	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-57.5	-46	173.5	-63.9	171.3	0	0	0	110.1	P212 I215 W228 F244 Q246 D247 Q252 G253	P212-I250 HydrophobicContact CB-CG2 4.27Å; I215-I250 HydrophobicContact CD1-CD1 4.42Å; I215-I250 HydrophobicContact CG1-CD1 4.39Å; I215-I250 HydrophobicContact CG1-CG2 3.93Å; W228-I250 HydrophobicContact CZ2-CG2 3.87Å; F244-I250 HydrophobicContact CB-CG1 3.65Å; F244-I250 HydrophobicContact CD2-CG1 4.14Å; F244-I250 HydrophobicContact CG-CG1 4.1Å; Q246-I250 PolarHBondContact O-N 3.07Å; Q246-I250 VanDerWaalsContact O-N 3.15Å; D247-I250 PolarHBondContact O-N 3.14Å; I250-Q252 VanDerWaalsContact C-N 3.34Å; I250-Q252 PolarHBondContact O-N 2.81Å; I250-G253 PolarHBondContact O-N 3.32Å
251	L	98.5	Very high	96.8	Very high	67 Å²	67	84.7 Å²	84.7	35%	0.351	37%	0.372	S	S	.	.	H	α-helix	trans	-69.2	-29.6	-179.7	-69.6	173.4	0	0	0	113.2	P212 I215 R216 D247 E249	P212-L251 HydrophobicContact CB-CD2 4.23Å; I215-L251 HydrophobicContact CB-CD2 4.09Å; I215-L251 HydrophobicContact CB-CG 4.46Å; I215-L251 HydrophobicContact CG2-CD1 3.94Å; I215-L251 HydrophobicContact CG2-CD2 3.95Å; I215-L251 HydrophobicContact CG2-CG 3.88Å; R216-L251 HydrophobicContact CB-CD2 3.93Å; D247-L251 WeakPolarHBondContact O-CB 3.36Å; D247-L251 WeakPolarHBondContact O-CG 3.41Å; D247-L251 PolarHBondContact O-N 3.16Å; E249-L251 VanDerWaalsContact C-N 3.3Å; E249-L251 PolarHBondContact O-N 3.13Å
252	Q	97.9	Very high	96.8	Very high	133 Å²	133	83.8 Å²	83.8	62%	0.621	37%	0.37	S	S	*	.	H	α-helix	trans	-79.5	-32.2	174.5	-74.3	174.3	30	0	0	112.6	E248 E249 I250 R254	E248-Q252 WeakPolarHBondContact O-CB 3.19Å; E248-Q252 WeakPolarHBondContact O-CG 3.36Å; E248-Q252 PolarHBondContact O-N 3.11Å; E249-Q252 PolarHBondContact O-N 3.17Å; I250-Q252 VanDerWaalsContact C-N 3.34Å; I250-Q252 PolarHBondContact O-N 2.81Å; Q252-R254 PolarHBondContact O-N 3.01Å
253	G	96.1	Very high	96.8	Very high	21 Å²	21	89 Å²	89	22%	0.216	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	22.9	179.7	0	0	0	0	0	114.1	E249 I250 L255	E249-G253 PolarHBondContact O-N 3.19Å; I250-G253 PolarHBondContact O-N 3.32Å; G253-L255 PolarHBondContact O-N 3.31Å
254	R	96.8	Very high	96.8	Very high	208 Å²	208	92.5 Å²	92.5	79%	0.785	41%	0.413	S	S	*	.			trans	-84.3	110.4	-177.7	-175.5	177.9	179.6	170.6	-0.7	110.4	Q252	Q252-R254 PolarHBondContact O-N 3.01Å
255	L	96.8	Very high	96.8	Very high	35 Å²	35	92.3 Å²	92.3	18%	0.183	41%	0.412	C	S	.	.			trans	-86.6	137.5	178.4	-64.5	171.8	0	0	0	112.6	Y235 P243 F244 G253 F257 I269 K270 L273	Y235-L255 HydrophobicContact CD2-CD2 4.36Å; P243-L255 HydrophobicContact CB-CD2 3.6Å; P243-L255 HydrophobicContact CG-CD2 4.33Å; F244-L255 HydrophobicContact CE1-CD2 3.94Å; F244-L255 HydrophobicContact CE2-CD2 4.29Å; F244-L255 HydrophobicContact CZ-CD2 3.5Å; F244-L255 HydrophobicContact CZ-CG 4.3Å; G253-L255 PolarHBondContact O-N 3.31Å; L255-F257 HydrophobicContact CB-CE2 4.1Å; L255-F257 HydrophobicContact CD1-CZ 4.32Å; L255-I269 HydrophobicContact CD1-CG2 3.91Å; L255-K270 HydrophobicContact CD1-CG 3.78Å; L255-L273 HydrophobicContact CD1-CB 4.49Å; L255-L273 HydrophobicContact CD1-CD1 4.06Å; L255-L273 HydrophobicContact CD2-CD1 3.68Å; L255-L273 HydrophobicContact CG-CD1 4.42Å
256	Y	95.3	Very high	96.9	Very high	172 Å²	172	88.6 Å²	88.6	68%	0.675	40%	0.395	S	S	*	.			trans	-127.6	103.1	172.4	177.9	-104.2	0	0	0	110.9	Y235 R258	Y235-Y256 PolarHBondContact OH-O 2.89Å; Y256-R258 HydrophobicContact CD1-CG 3.72Å; Y256-R258 HydrophobicContact CE1-CB 4.39Å; Y256-R258 HydrophobicContact CE1-CG 3.79Å; Y256-R258 PolarHBondContact O-N 3.31Å; Y256-R258 VanDerWaalsContact O-N 3.12Å
257	F	96.4	Very high	96.9	Very high	31 Å²	31	88.1 Å²	88.1	14%	0.136	39%	0.393	C	S	.	.			trans	-74	106.2	177.9	-63.9	-86.7	0	0	0	110.2	Y235 L255 R259 V261 Q266 I269	Y235-F257 HydrophobicContact CD2-CD1 4.13Å; Y235-F257 AromaticContact CD2-CE1 3.73Å; Y235-F257 HydrophobicContact CD2-CE1 3.73Å; Y235-F257 HydrophobicContact CD2-CZ 4.34Å; Y235-F257 AromaticContact CE2-CD1 3.86Å; Y235-F257 HydrophobicContact CE2-CD1 3.86Å; Y235-F257 AromaticContact CE2-CE1 3.89Å; Y235-F257 HydrophobicContact CE2-CE1 3.89Å; Y235-F257 HydrophobicContact CE2-CG 4.44Å; Y235-F257 HydrophobicContact CE2-CZ 4.49Å; L255-F257 HydrophobicContact CB-CE2 4.1Å; L255-F257 HydrophobicContact CD1-CZ 4.32Å; F257-R259 PolarHBondContact O-N 3Å; F257-R259 VanDerWaalsContact O-N 3.17Å; F257-V261 HydrophobicContact CD1-CB 4.19Å; F257-V261 HydrophobicContact CD1-CG1 4.49Å; F257-V261 HydrophobicContact CD1-CG2 4.1Å; F257-Q266 HydrophobicContact CD1-CG 4Å; F257-Q266 HydrophobicContact CD2-CG 3.95Å; F257-Q266 HydrophobicContact CE1-CB 4.39Å; F257-Q266 HydrophobicContact CE1-CG 3.82Å; F257-Q266 HydrophobicContact CE2-CB 4.08Å; F257-Q266 HydrophobicContact CE2-CG 3.79Å; F257-Q266 HydrophobicContact CG-CG 4.06Å; F257-Q266 HydrophobicContact CZ-CB 3.91Å; F257-Q266 HydrophobicContact CZ-CG 3.72Å; F257-I269 HydrophobicContact CE1-CD1 3.78Å; F257-I269 HydrophobicContact CE1-CG2 4.4Å; F257-I269 HydrophobicContact CZ-CB 4.37Å; F257-I269 HydrophobicContact CZ-CD1 4.38Å; F257-I269 HydrophobicContact CZ-CG2 4.16Å
258	R	87.9	Confident	97	Very high	140 Å²	140	86.1 Å²	86.1	53%	0.528	38%	0.382	S	S	.	.	S	Bend	trans	-69.1	-8.5	-179.5	-59.8	-179.1	-177.7	170.2	4.3	113.2	D241 Y256	D241-R258 IonicContact OD2-CZ 3.52Å; D241-R258 IonicContact OD2-NH1 3.42Å; D241-R258 PolarHBondContact OD2-NH1 2.8Å; D241-R258 IonicContact OD2-NH2 3.45Å; Y256-R258 HydrophobicContact CD1-CG 3.72Å; Y256-R258 HydrophobicContact CE1-CB 4.39Å; Y256-R258 HydrophobicContact CE1-CG 3.79Å; Y256-R258 PolarHBondContact O-N 3.31Å; Y256-R258 VanDerWaalsContact O-N 3.12Å
259	R	92.2	Very high	97	Very high	136 Å²	136	80.8 Å²	80.8	51%	0.513	36%	0.357	S	S	.	.	S	Bend	trans	-137.6	167.9	-174.5	-44.5	-167.5	68.3	169.5	-5.7	110.6	F257 V261	F257-R259 PolarHBondContact O-N 3Å; F257-R259 VanDerWaalsContact O-N 3.17Å; R259-V261 PolarHBondContact O-N 2.96Å
260	R	95.4	Very high	97	Very high	253 Å²	253	82.1 Å²	82.1	96%	0.955	36%	0.362	S	S	*	.			trans	-74.5	109.8	171.9	-173.1	177.4	-177.9	178.4	-0.3	109.3
261	V	97.9	Very high	97	Very high	9 Å²	9	85.1 Å²	85.1	6%	0.055	38%	0.378	C	S	.	.			trans	-119.4	140.1	174.8	176.8	0	0	0	0	107.9	V238 F257 R259 C265 Q266	V238-V261 HydrophobicContact CB-CG2 4.33Å; V238-V261 HydrophobicContact CG2-CG1 4.12Å; V238-V261 HydrophobicContact CG2-CG2 3.96Å; F257-V261 HydrophobicContact CD1-CB 4.19Å; F257-V261 HydrophobicContact CD1-CG1 4.49Å; F257-V261 HydrophobicContact CD1-CG2 4.1Å; R259-V261 PolarHBondContact O-N 2.96Å; V261-C265 HydrophobicContact CG1-CB 3.51Å; V261-Q266 HydrophobicContact CB-CG 4.04Å; V261-Q266 HydrophobicContact CG1-CG 3.9Å; V261-Q266 PolarHBondContact O-NE2 3.21Å
262	S	98.2	Very high	97	Very high	39 Å²	39	82 Å²	82	27%	0.273	36%	0.361	S	S	.	.			trans	-58.8	150.7	-178.8	74.6	0	0	0	0	111.7	E143 E264 C265 Q266	E143-S262 VanDerWaalsContact OE1-CB 3.23Å; E143-S262 WeakPolarHBondContact OE1-CB 3.33Å; E143-S262 PolarHBondContact OE1-N 3.47Å; E143-S262 PolarHBondContact OE1-OG 2.98Å; E143-S262 VanDerWaalsContact OE2-CB 3.3Å; E143-S262 WeakPolarHBondContact OE2-CB 3.45Å; E143-S262 PolarHBondContact OE2-OG 3.16Å; S262-E264 PolarHBondContact O-N 3.39Å; S262-C265 PolarHBondContact O-N 2.96Å; S262-C265 VanDerWaalsContact OG-CB 3.31Å; S262-C265 WeakPolarHBondContact OG-CB 3.34Å; S262-C265 PolarHBondContact OG-N 2.81Å; S262-C265 VanDerWaalsContact OG-N 3.17Å; S262-Q266 WeakPolarHBondContact O-CG 3.42Å; S262-Q266 PolarHBondContact O-N 3.45Å
263	N	98.2	Very high	97.1	Very high	137 Å²	137	76 Å²	76	73%	0.733	33%	0.333	S	S	*	.	H	α-helix	trans	-59.5	-35.7	179.7	-72.1	-24.4	0	0	0	111.8	Q267	N263-Q267 VanDerWaalsContact O-CB 3.27Å; N263-Q267 WeakPolarHBondContact O-CB 3.41Å; N263-Q267 PolarHBondContact O-N 3Å
264	E	98.4	Very high	97.2	Very high	92 Å²	92	76.1 Å²	76.1	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-42.6	178.6	-59.2	-179.5	164.9	0	0	111.5	S262 Q267 L268 H289 W291	S262-E264 PolarHBondContact O-N 3.39Å; E264-Q267 WeakPolarHBondContact O-CB 3.15Å; E264-Q267 PolarHBondContact O-N 2.85Å; E264-L268 PolarHBondContact O-N 2.82Å; E264-H289 PolarHBondContact O-CE1 2.73Å; E264-W291 HydrophobicContact CB-CB 3.85Å; E264-W291 HydrophobicContact CB-CG 4.4Å
265	C	98.7	Very high	97.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-47.3	175.2	-170.6	0	0	0	0	111.1	V261 S262 Q267 L268 I269 W291	V261-C265 HydrophobicContact CG1-CB 3.51Å; S262-C265 PolarHBondContact O-N 2.96Å; S262-C265 VanDerWaalsContact OG-CB 3.31Å; S262-C265 WeakPolarHBondContact OG-CB 3.34Å; S262-C265 PolarHBondContact OG-N 2.81Å; S262-C265 VanDerWaalsContact OG-N 3.17Å; C265-Q267 VanDerWaalsContact C-N 3.26Å; C265-Q267 PolarHBondContact O-N 2.93Å; C265-L268 PolarHBondContact O-N 3.22Å; C265-I269 WeakPolarHBondContact O-CG1 3.22Å; C265-I269 PolarHBondContact O-N 3.25Å; C265-W291 VanDerWaalsContact CB-CD1 3.49Å; C265-W291 HydrophobicContact CB-CD2 4.21Å; C265-W291 HydrophobicContact CB-CG 4.04Å; C265-W291 HydrophobicContact CB-CZ2 4.45Å; C265-W291 VanDerWaalsContact CB-NE1 3.3Å
266	Q	98.8	Very high	97.4	Very high	39 Å²	39	76.2 Å²	76.2	18%	0.182	33%	0.334	C	S	.	.	H	α-helix	trans	-58.8	-38.9	176	-69.1	-173.8	43.2	0	0	112	F257 V261 S262 K270	F257-Q266 HydrophobicContact CD1-CG 4Å; F257-Q266 HydrophobicContact CD2-CG 3.95Å; F257-Q266 HydrophobicContact CE1-CB 4.39Å; F257-Q266 HydrophobicContact CE1-CG 3.82Å; F257-Q266 HydrophobicContact CE2-CB 4.08Å; F257-Q266 HydrophobicContact CE2-CG 3.79Å; F257-Q266 HydrophobicContact CG-CG 4.06Å; F257-Q266 HydrophobicContact CZ-CB 3.91Å; F257-Q266 HydrophobicContact CZ-CG 3.72Å; V261-Q266 HydrophobicContact CB-CG 4.04Å; V261-Q266 HydrophobicContact CG1-CG 3.9Å; V261-Q266 PolarHBondContact O-NE2 3.21Å; S262-Q266 WeakPolarHBondContact O-CG 3.42Å; S262-Q266 PolarHBondContact O-N 3.45Å; Q266-K270 WeakPolarHBondContact O-CB 3.43Å; Q266-K270 WeakPolarHBondContact O-CD 3.2Å; Q266-K270 WeakPolarHBondContact O-CG 3.36Å; Q266-K270 PolarHBondContact O-N 3.27Å
267	Q	98.6	Very high	97.6	Very high	106 Å²	106	70.2 Å²	70.2	50%	0.495	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-47.8	177.1	-178.9	178.5	12.7	0	0	110.9	N263 E264 C265 K270 L271	N263-Q267 VanDerWaalsContact O-CB 3.27Å; N263-Q267 WeakPolarHBondContact O-CB 3.41Å; N263-Q267 PolarHBondContact O-N 3Å; E264-Q267 WeakPolarHBondContact O-CB 3.15Å; E264-Q267 PolarHBondContact O-N 2.85Å; C265-Q267 VanDerWaalsContact C-N 3.26Å; C265-Q267 PolarHBondContact O-N 2.93Å; Q267-K270 PolarHBondContact O-N 3.29Å; Q267-L271 HydrophobicContact CG-CD1 4.19Å; Q267-L271 VanDerWaalsContact O-CG 3.31Å; Q267-L271 WeakPolarHBondContact O-CG 3.42Å; Q267-L271 PolarHBondContact O-N 2.82Å
268	L	98.9	Very high	97.7	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-46.9	178.1	-178.3	55.4	0	0	0	111.9	F150 L234 E264 C265 K270 L271 C272 I286 H289 W291 M292	F150-L268 HydrophobicContact CE1-CD2 4.28Å; L234-L268 HydrophobicContact CD2-CD2 3.84Å; L234-L268 HydrophobicContact CD2-CG 4.06Å; E264-L268 PolarHBondContact O-N 2.82Å; C265-L268 PolarHBondContact O-N 3.22Å; L268-K270 VanDerWaalsContact C-N 3.34Å; L268-K270 PolarHBondContact O-N 3.48Å; L268-L271 PolarHBondContact O-N 3.5Å; L268-C272 PolarHBondContact O-N 3.44Å; L268-C272 PolarHBondContact O-SG 3.4Å; L268-I286 HydrophobicContact CD1-CB 4.46Å; L268-I286 HydrophobicContact CD1-CG1 4.24Å; L268-I286 HydrophobicContact CD1-CG2 4.13Å; L268-I286 HydrophobicContact CD2-CG2 4.31Å; L268-H289 HydrophobicContact CD1-CB 4.03Å; L268-H289 HydrophobicContact CD2-CB 4.43Å; L268-W291 HydrophobicContact CD2-CD2 4.47Å; L268-W291 HydrophobicContact CD2-CE3 3.65Å; L268-W291 HydrophobicContact CD2-CZ3 4.32Å; L268-M292 HydrophobicContact CD2-CG 4.13Å; L268-M292 HydrophobicContact CD2-SD 4.43Å
269	I	98.9	Very high	98.2	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-47.6	177.2	-68.2	166.5	0	0	0	110.5	L234 Y235 V238 L255 F257 C265 L271 C272 L273	L234-I269 HydrophobicContact CB-CG1 4.22Å; L234-I269 HydrophobicContact CD2-CD1 4.43Å; L234-I269 HydrophobicContact CD2-CG1 3.67Å; L234-I269 HydrophobicContact CG-CD1 4.07Å; L234-I269 HydrophobicContact CG-CG1 3.7Å; Y235-I269 HydrophobicContact CD2-CG2 4.23Å; V238-I269 HydrophobicContact CG2-CD1 3.91Å; L255-I269 HydrophobicContact CD1-CG2 3.91Å; F257-I269 HydrophobicContact CE1-CD1 3.78Å; F257-I269 HydrophobicContact CE1-CG2 4.4Å; F257-I269 HydrophobicContact CZ-CB 4.37Å; F257-I269 HydrophobicContact CZ-CD1 4.38Å; F257-I269 HydrophobicContact CZ-CG2 4.16Å; C265-I269 WeakPolarHBondContact O-CG1 3.22Å; C265-I269 PolarHBondContact O-N 3.25Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 2.71Å; I269-C272 PolarHBondContact O-N 2.82Å; I269-L273 HydrophobicContact CG2-CD1 3.82Å; I269-L273 HydrophobicContact CG2-CG 4.5Å; I269-L273 WeakPolarHBondContact O-CB 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.45Å; I269-L273 PolarHBondContact O-N 2.74Å
270	K	98.8	Very high	98.5	Very high	104 Å²	104	64.3 Å²	64.3	45%	0.452	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-39.6	177.8	-75.3	166.7	-170.8	169.5	0	112.3	L255 Q266 Q267 L268 L273 S274	L255-K270 HydrophobicContact CD1-CG 3.78Å; Q266-K270 WeakPolarHBondContact O-CB 3.43Å; Q266-K270 WeakPolarHBondContact O-CD 3.2Å; Q266-K270 WeakPolarHBondContact O-CG 3.36Å; Q266-K270 PolarHBondContact O-N 3.27Å; Q267-K270 PolarHBondContact O-N 3.29Å; L268-K270 VanDerWaalsContact C-N 3.34Å; L268-K270 PolarHBondContact O-N 3.48Å; K270-L273 CarbonylContact O-C 3.42Å; K270-L273 PolarHBondContact O-N 3.39Å; K270-S274 PolarHBondContact O-N 3.34Å; K270-S274 PolarHBondContact O-OG 2.86Å
271	L	98.8	Very high	98.7	Very high	65 Å²	65	53 Å²	53	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-48.9	177	-73.4	171.1	0	0	0	111.1	Q267 L268 I269 L273 S274 P281	Q267-L271 HydrophobicContact CG-CD1 4.19Å; Q267-L271 VanDerWaalsContact O-CG 3.31Å; Q267-L271 WeakPolarHBondContact O-CG 3.42Å; Q267-L271 PolarHBondContact O-N 2.82Å; L268-L271 PolarHBondContact O-N 3.5Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 2.71Å; L271-L273 VanDerWaalsContact C-N 3.28Å; L271-L273 PolarHBondContact O-N 3.12Å; L271-S274 WeakPolarHBondContact O-CB 3.14Å; L271-S274 PolarHBondContact O-N 2.73Å; L271-S274 PolarHBondContact O-OG 3.05Å; L271-P281 HydrophobicContact CB-CG 4.28Å; L271-P281 WeakPolarHBondContact O-CD 3.3Å
272	C	98.9	Very high	98.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-38	176.7	-68.2	0	0	0	0	112.5	V227 L268 I269 S274 R280	V227-C272 HydrophobicContact CG1-CB 4.07Å; L268-C272 PolarHBondContact O-N 3.44Å; L268-C272 PolarHBondContact O-SG 3.4Å; I269-C272 PolarHBondContact O-N 2.82Å; C272-S274 VanDerWaalsContact C-N 3.28Å; C272-S274 PolarHBondContact O-N 3.31Å; C272-R280 WeakPolarHBondContact O-CD 3.48Å; C272-R280 WeakPolarHBondContact O-CG 3.3Å
273	L	98.9	Very high	98.7	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.042	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	27	-179.7	-60.3	179.8	0	0	0	113.5	W228 V232 P243 F244 L255 I269 K270 L271 L275	W228-L273 HydrophobicContact CD2-CD2 3.67Å; W228-L273 HydrophobicContact CE3-CB 4.38Å; W228-L273 HydrophobicContact CE3-CD2 3.88Å; W228-L273 HydrophobicContact CG-CD2 4.08Å; W228-L273 HydrophobicContact CH2-CB 4.48Å; W228-L273 HydrophobicContact CH2-CD2 4.35Å; W228-L273 HydrophobicContact CZ2-CD2 4.14Å; W228-L273 HydrophobicContact CZ3-CB 4.14Å; W228-L273 HydrophobicContact CZ3-CD2 4.23Å; W228-L273 VanDerWaalsContact CZ3-O 3.28Å; W228-L273 WeakPolarHBondContact CZ3-O 3.48Å; W228-L273 VanDerWaalsContact O-CD2 3.32Å; W228-L273 WeakPolarHBondContact O-CD2 3.1Å; V232-L273 HydrophobicContact CG2-CD2 3.83Å; P243-L273 HydrophobicContact CG-CD1 4.31Å; F244-L273 HydrophobicContact CE2-CD1 4.17Å; F244-L273 HydrophobicContact CZ-CD1 4.45Å; L255-L273 HydrophobicContact CD1-CB 4.49Å; L255-L273 HydrophobicContact CD1-CD1 4.06Å; L255-L273 HydrophobicContact CD2-CD1 3.68Å; L255-L273 HydrophobicContact CG-CD1 4.42Å; I269-L273 HydrophobicContact CG2-CD1 3.82Å; I269-L273 HydrophobicContact CG2-CG 4.5Å; I269-L273 WeakPolarHBondContact O-CB 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.45Å; I269-L273 PolarHBondContact O-N 2.74Å; K270-L273 CarbonylContact O-C 3.42Å; K270-L273 PolarHBondContact O-N 3.39Å; L271-L273 VanDerWaalsContact C-N 3.28Å; L271-L273 PolarHBondContact O-N 3.12Å; L273-L275 PolarHBondContact O-N 3.39Å
274	S	98.8	Very high	98.7	Very high	24 Å²	24	52.4 Å²	52.4	17%	0.168	27%	0.266	C	S	.	.			trans	-65	130.4	171.3	-62.8	0	0	0	0	110.7	K270 L271 C272 R276 R280	K270-S274 PolarHBondContact O-N 3.34Å; K270-S274 PolarHBondContact O-OG 2.86Å; L271-S274 WeakPolarHBondContact O-CB 3.14Å; L271-S274 PolarHBondContact O-N 2.73Å; L271-S274 PolarHBondContact O-OG 3.05Å; C272-S274 VanDerWaalsContact C-N 3.28Å; C272-S274 PolarHBondContact O-N 3.31Å; S274-R276 VanDerWaalsContact C-N 3.32Å; S274-R276 PolarHBondContact O-N 3.36Å; S274-R280 PolarHBondContact O-NE 3.04Å; S274-R280 PolarHBondContact O-NH2 3.26Å
275	L	98.8	Very high	98.7	Very high	82 Å²	82	53.3 Å²	53.3	43%	0.429	27%	0.27	S	S	.	.	S	Bend	trans	-61.4	-38.4	-177.5	-69.6	179.4	0	0	0	112.7	P212 W228 L273	P212-L275 HydrophobicContact CB-CD2 4.25Å; P212-L275 HydrophobicContact CG-CD2 4Å; W228-L275 HydrophobicContact CH2-CD2 4.35Å; W228-L275 HydrophobicContact CZ3-CD2 4.44Å; L273-L275 PolarHBondContact O-N 3.39Å
276	R	98.7	Very high	98.7	Very high	162 Å²	162	53.3 Å²	53.3	61%	0.611	27%	0.27	S	S	*	.	S	Bend	trans	-82	125.4	174.2	-66.5	-171.9	-59.8	-161	2.4	109.2	S274 S278 D279	S274-R276 VanDerWaalsContact C-N 3.32Å; S274-R276 PolarHBondContact O-N 3.36Å; R276-S278 PolarHBondContact O-N 2.75Å; R276-S278 VanDerWaalsContact O-N 3.14Å; R276-D279 HydrophobicContact CB-CB 4.41Å; R276-D279 IonicContact CZ-OD1 3.67Å; R276-D279 IonicContact CZ-OD2 3.62Å; R276-D279 IonicContact NE-OD1 3.82Å; R276-D279 IonicContact NE-OD2 2.66Å; R276-D279 PolarHBondContact NE-OD2 3.01Å; R276-D279 IonicContact NH2-OD1 2.73Å; R276-D279 PolarHBondContact NH2-OD1 2.84Å; R276-D279 IonicContact NH2-OD2 2.79Å; R276-D279 PolarHBondContact NH2-OD2 2.64Å; R276-D279 PolarHBondContact O-N 3.33Å
277	P	98.8	Very high	98.6	Very high	46 Å²	46	53.1 Å²	53.1	30%	0.299	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-58.3	-30.7	-179.4	-27.5	36.4	0	0	0	114.2	E213 D279 R280	E213-P277 HydrophobicContact CB-CG 4.41Å; E213-P277 VanDerWaalsContact CD-CG 3.49Å; E213-P277 HydrophobicContact CG-CG 4.1Å; E213-P277 WeakPolarHBondContact OE1-CG 3.44Å; P277-D279 VanDerWaalsContact C-N 3.27Å; P277-D279 PolarHBondContact O-N 3.22Å; P277-R280 PolarHBondContact O-N 2.63Å
278	S	98.6	Very high	98.5	Very high	99 Å²	99	54 Å²	54	69%	0.692	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.9	178.9	56.1	0	0	0	0	114.5	R276	R276-S278 PolarHBondContact O-N 2.75Å; R276-S278 VanDerWaalsContact O-N 3.14Å
279	D	98.7	Very high	98.5	Very high	67 Å²	67	54.7 Å²	54.7	36%	0.358	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-90.9	-9.3	-178.4	-61.4	-4.8	0	0	0	111.5	R276 P277	R276-D279 HydrophobicContact CB-CB 4.41Å; R276-D279 IonicContact CZ-OD1 3.67Å; R276-D279 IonicContact CZ-OD2 3.62Å; R276-D279 IonicContact NE-OD1 3.82Å; R276-D279 IonicContact NE-OD2 2.66Å; R276-D279 PolarHBondContact NE-OD2 3.01Å; R276-D279 IonicContact NH2-OD1 2.73Å; R276-D279 PolarHBondContact NH2-OD1 2.84Å; R276-D279 IonicContact NH2-OD2 2.79Å; R276-D279 PolarHBondContact NH2-OD2 2.64Å; R276-D279 PolarHBondContact O-N 3.33Å; P277-D279 VanDerWaalsContact C-N 3.27Å; P277-D279 PolarHBondContact O-N 3.22Å
280	R	98.9	Very high	98.4	Very high	17 Å²	17	57.9 Å²	57.9	6%	0.064	30%	0.302	C	S	.	.	S	Bend	trans	-75	140	178.3	-61.2	-178.2	-164.6	143	11	110	E213 S224 V227 C272 S274 P277	E213-R280 IonicContact OE1-CZ 3.72Å; E213-R280 IonicContact OE1-NH1 2.72Å; E213-R280 PolarHBondContact OE1-NH1 2.91Å; E213-R280 IonicContact OE1-NH2 2.73Å; E213-R280 PolarHBondContact OE1-NH2 3.34Å; E213-R280 IonicContact OE2-CZ 3.06Å; E213-R280 IonicContact OE2-NH1 3.96Å; E213-R280 IonicContact OE2-NH2 3.76Å; E213-R280 PolarHBondContact OE2-NH2 2.73Å; S224-R280 VanDerWaalsContact O-CD 3.3Å; S224-R280 WeakPolarHBondContact O-CD 3.32Å; S224-R280 PolarHBondContact O-NH1 3.36Å; V227-R280 HydrophobicContact CB-CB 4.37Å; V227-R280 HydrophobicContact CG1-CB 3.8Å; V227-R280 HydrophobicContact CG1-CG 4.48Å; C272-R280 WeakPolarHBondContact O-CD 3.48Å; C272-R280 WeakPolarHBondContact O-CG 3.3Å; S274-R280 PolarHBondContact O-NE 3.04Å; S274-R280 PolarHBondContact O-NH2 3.26Å; P277-R280 PolarHBondContact O-N 2.63Å
281	P	98.8	Very high	98.4	Very high	16 Å²	16	53 Å²	53	10%	0.104	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.6	156.6	179.7	29.4	-35.8	0	0	0	111.8	V227 L271 Q285 I286	V227-P281 HydrophobicContact CG1-CG 4.19Å; V227-P281 WeakPolarHBondContact CG2-O 3.39Å; L271-P281 HydrophobicContact CB-CG 4.28Å; L271-P281 WeakPolarHBondContact O-CD 3.3Å; P281-Q285 VanDerWaalsContact CA-OE1 3.29Å; P281-Q285 HydrophobicContact CB-CB 3.82Å; P281-I286 HydrophobicContact CB-CG1 3.99Å; P281-I286 HydrophobicContact CG-CD1 4.11Å; P281-I286 HydrophobicContact CG-CG1 3.59Å
282	T	98.7	Very high	98.3	Very high	66 Å²	66	50 Å²	50	41%	0.405	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-73.1	167	164.8	78.9	0	0	0	0	111	E284 Q285 I286	T282-E284 WeakPolarHBondContact CB-OE2 3.31Å; T282-E284 PolarHBondContact O-N 3.29Å; T282-E284 PolarHBondContact OG1-N 3.17Å; T282-E284 PolarHBondContact OG1-OE2 3.35Å; T282-Q285 PolarHBondContact O-N 2.99Å; T282-Q285 PolarHBondContact OG1-N 3.21Å; T282-I286 WeakPolarHBondContact O-CG1 3.45Å; T282-I286 PolarHBondContact O-N 2.73Å
283	L	98.2	Very high	97.9	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-36.3	176.5	-62.6	-177.3	0	0	0	112.2	L154 V157 R158 Y161 V227 L230 I286 L287	L154-L283 HydrophobicContact CD2-CD2 3.91Å; V157-L283 HydrophobicContact CB-CD1 4.37Å; V157-L283 HydrophobicContact CG1-CD1 3.76Å; V157-L283 HydrophobicContact CG1-CD2 4.41Å; R158-L283 HydrophobicContact CG-CB 4.32Å; R158-L283 HydrophobicContact CG-CD1 3.68Å; Y161-L283 HydrophobicContact CD2-CD1 3.72Å; Y161-L283 HydrophobicContact CE2-CD1 3.6Å; Y161-L283 HydrophobicContact CE2-CG 4.35Å; V227-L283 HydrophobicContact CG2-CD2 4.4Å; L230-L283 HydrophobicContact CD1-CD2 3.68Å; L283-I286 HydrophobicContact CD2-CD1 4.36Å; L283-I286 PolarHBondContact O-N 3.15Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.35Å
284	E	97.6	Very high	96.6	Very high	95 Å²	95	60.1 Å²	60.1	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-45.6	175.6	-60.9	70.8	-154.2	0	0	110.8	T282 I286 L287 D288	T282-E284 WeakPolarHBondContact CB-OE2 3.31Å; T282-E284 PolarHBondContact O-N 3.29Å; T282-E284 PolarHBondContact OG1-N 3.17Å; T282-E284 PolarHBondContact OG1-OE2 3.35Å; E284-I286 VanDerWaalsContact C-N 3.28Å; E284-I286 PolarHBondContact O-N 2.6Å; E284-L287 PolarHBondContact O-N 2.68Å; E284-L287 VanDerWaalsContact O-N 3.17Å; E284-D288 WeakPolarHBondContact O-CB 3.3Å; E284-D288 PolarHBondContact O-N 2.85Å
285	Q	98.4	Very high	94.6	Very high	112 Å²	112	64.5 Å²	64.5	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-32.7	176.7	-69.4	175.5	-36.4	0	0	112.7	P281 T282 H289	P281-Q285 VanDerWaalsContact CA-OE1 3.29Å; P281-Q285 HydrophobicContact CB-CB 3.82Å; T282-Q285 PolarHBondContact O-N 2.99Å; T282-Q285 PolarHBondContact OG1-N 3.21Å; Q285-H289 PolarHBondContact O-N 2.99Å
286	I	98.7	Very high	92.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-49.5	172.2	-66.9	169.2	0	0	0	110.1	F150 L154 V227 L268 P281 T282 L283 E284 D288 H289 M292	F150-I286 HydrophobicContact CE1-CG2 3.73Å; F150-I286 HydrophobicContact CZ-CG2 4.44Å; L154-I286 HydrophobicContact CD1-CG2 3.54Å; L154-I286 HydrophobicContact CD2-CB 4.43Å; L154-I286 HydrophobicContact CD2-CD1 4.33Å; L154-I286 HydrophobicContact CD2-CG2 3.86Å; L154-I286 HydrophobicContact CG-CG2 4.36Å; V227-I286 HydrophobicContact CG1-CD1 4.08Å; V227-I286 HydrophobicContact CG2-CD1 4.27Å; L268-I286 HydrophobicContact CD1-CB 4.46Å; L268-I286 HydrophobicContact CD1-CG1 4.24Å; L268-I286 HydrophobicContact CD1-CG2 4.13Å; L268-I286 HydrophobicContact CD2-CG2 4.31Å; P281-I286 HydrophobicContact CB-CG1 3.99Å; P281-I286 HydrophobicContact CG-CD1 4.11Å; P281-I286 HydrophobicContact CG-CG1 3.59Å; T282-I286 WeakPolarHBondContact O-CG1 3.45Å; T282-I286 PolarHBondContact O-N 2.73Å; L283-I286 HydrophobicContact CD2-CD1 4.36Å; L283-I286 PolarHBondContact O-N 3.15Å; E284-I286 VanDerWaalsContact C-N 3.28Å; E284-I286 PolarHBondContact O-N 2.6Å; I286-D288 VanDerWaalsContact C-N 3.25Å; I286-D288 PolarHBondContact O-N 2.95Å; I286-H289 WeakPolarHBondContact O-CB 3.4Å; I286-H289 PolarHBondContact O-N 3.37Å; I286-H289 VanDerWaalsContact O-N 3.08Å; I286-M292 WeakPolarHBondContact O-CG 3.08Å
287	L	96.9	Very high	90.1	Very high	35 Å²	35	62.5 Å²	62.5	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-34.1	179.7	-75.1	167.7	0	0	0	112.7	R151 L154 R158 L283 E284 H289 M292	R151-L287 HydrophobicContact CG-CD2 4.38Å; L154-L287 HydrophobicContact CB-CD2 4.14Å; L154-L287 HydrophobicContact CD1-CD2 3.75Å; L154-L287 HydrophobicContact CD1-CG 4.14Å; R158-L287 VanDerWaalsContact NH1-CD1 3.33Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.35Å; E284-L287 PolarHBondContact O-N 2.68Å; E284-L287 VanDerWaalsContact O-N 3.17Å; L287-H289 VanDerWaalsContact C-N 3.32Å; L287-M292 HydrophobicContact CD2-CE 4.38Å; L287-M292 WeakPolarHBondContact O-CB 3.46Å
288	D	97.1	Very high	87.5	Confident	124 Å²	124	66.4 Å²	66.4	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.6	177.9	-69.1	-22.3	0	0	0	113.6	E284 I286	E284-D288 WeakPolarHBondContact O-CB 3.3Å; E284-D288 PolarHBondContact O-N 2.85Å; I286-D288 VanDerWaalsContact C-N 3.25Å; I286-D288 PolarHBondContact O-N 2.95Å
289	H	98.3	Very high	84.9	Confident	16 Å²	16	65.3 Å²	65.3	7%	0.074	38%	0.375	C	S	.	.	S	Bend	trans	-60.7	141.1	-178.5	-172.1	-86.2	0	0	0	110.8	E264 L268 Q285 I286 L287 W291 M292	E264-H289 PolarHBondContact O-CE1 2.73Å; L268-H289 HydrophobicContact CD1-CB 4.03Å; L268-H289 HydrophobicContact CD2-CB 4.43Å; Q285-H289 PolarHBondContact O-N 2.99Å; I286-H289 WeakPolarHBondContact O-CB 3.4Å; I286-H289 PolarHBondContact O-N 3.37Å; I286-H289 VanDerWaalsContact O-N 3.08Å; L287-H289 VanDerWaalsContact C-N 3.32Å; H289-W291 WeakPolarHBondContact ND1-CB 3.35Å; H289-W291 PolarHBondContact ND1-N 2.91Å; H289-W291 VanDerWaalsContact ND1-N 3.13Å; H289-W291 PolarHBondContact O-N 2.72Å; H289-W291 VanDerWaalsContact O-N 3.11Å; H289-M292 WeakPolarHBondContact O-CA 3.45Å; H289-M292 WeakPolarHBondContact O-CB 3.37Å; H289-M292 PolarHBondContact O-N 3.18Å
290	P	97.6	Very high	82.2	Confident	66 Å²	66	71 Å²	71	43%	0.429	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-48.7	-43.6	-179.4	-31.5	36.2	0	0	0	114.1	M292 R293	P290-M292 PolarHBondContact O-N 3.07Å; P290-M292 VanDerWaalsContact O-N 3.16Å; P290-R293 WeakPolarHBondContact O-CB 3.23Å; P290-R293 PolarHBondContact O-N 3.27Å
291	W	98.3	Very high	79.4	Confident	1 Å²	1	74.9 Å²	74.9	0%	0.004	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-57.1	-29.8	176.3	-171.7	72.3	0	0	0	114.1	E143 A146 R147 F150 L234 E264 C265 L268 H289	E143-W291 HydrophobicContact CB-CZ2 4.2Å; E143-W291 HydrophobicContact CG-CZ2 4.48Å; E143-W291 PolarHBondContact OE2-NE1 2.89Å; A146-W291 HydrophobicContact CB-CH2 4.34Å; A146-W291 HydrophobicContact CB-CZ2 4.49Å; R147-W291 VanDerWaalsContact CA-CH2 3.48Å; R147-W291 HydrophobicContact CB-CH2 3.73Å; R147-W291 HydrophobicContact CB-CZ2 3.97Å; R147-W291 HydrophobicContact CB-CZ3 4.12Å; R147-W291 WeakPolarHBondContact CD-O 3.31Å; R147-W291 HydrophobicContact CG-CH2 4.41Å; R147-W291 HydrophobicContact CG-CZ3 4.32Å; R147-W291 PolarHBondContact NE-O 3.27Å; F150-W291 HydrophobicContact CB-CZ3 4.45Å; F150-W291 HydrophobicContact CD1-CZ3 4.09Å; L234-W291 HydrophobicContact CD1-CH2 3.37Å; L234-W291 HydrophobicContact CD1-CZ2 4.2Å; L234-W291 HydrophobicContact CD1-CZ3 3.66Å; L234-W291 HydrophobicContact CD2-CE3 4.38Å; L234-W291 HydrophobicContact CD2-CH2 4.45Å; L234-W291 HydrophobicContact CD2-CZ3 4Å; E264-W291 HydrophobicContact CB-CB 3.85Å; E264-W291 HydrophobicContact CB-CG 4.4Å; C265-W291 VanDerWaalsContact CB-CD1 3.49Å; C265-W291 HydrophobicContact CB-CD2 4.21Å; C265-W291 HydrophobicContact CB-CG 4.04Å; C265-W291 HydrophobicContact CB-CZ2 4.45Å; C265-W291 VanDerWaalsContact CB-NE1 3.3Å; L268-W291 HydrophobicContact CD2-CD2 4.47Å; L268-W291 HydrophobicContact CD2-CE3 3.65Å; L268-W291 HydrophobicContact CD2-CZ3 4.32Å; H289-W291 WeakPolarHBondContact ND1-CB 3.35Å; H289-W291 PolarHBondContact ND1-N 2.91Å; H289-W291 VanDerWaalsContact ND1-N 3.13Å; H289-W291 PolarHBondContact O-N 2.72Å; H289-W291 VanDerWaalsContact O-N 3.11Å
292	M	97.6	Very high	76.7	Confident	4 Å²	4	83.2 Å²	83.2	2%	0.02	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-83.1	-12.7	-180	-70.4	-58.5	-68.4	0	0	113.5	R147 F150 R151 L154 L268 I286 L287 H289 P290	R147-M292 HydrophobicContact CG-SD 4.19Å; F150-M292 HydrophobicContact CD1-CE 4.21Å; F150-M292 HydrophobicContact CD1-SD 3.8Å; R151-M292 HydrophobicContact CB-CE 3.75Å; R151-M292 HydrophobicContact CG-CE 4.29Å; R151-M292 PolarHBondContact NH2-O 3.22Å; L154-M292 HydrophobicContact CD1-CE 3.75Å; L268-M292 HydrophobicContact CD2-CG 4.13Å; L268-M292 HydrophobicContact CD2-SD 4.43Å; I286-M292 WeakPolarHBondContact O-CG 3.08Å; L287-M292 HydrophobicContact CD2-CE 4.38Å; L287-M292 WeakPolarHBondContact O-CB 3.46Å; H289-M292 WeakPolarHBondContact O-CA 3.45Å; H289-M292 WeakPolarHBondContact O-CB 3.37Å; H289-M292 PolarHBondContact O-N 3.18Å; P290-M292 PolarHBondContact O-N 3.07Å; P290-M292 VanDerWaalsContact O-N 3.16Å
293	R	89.6	Confident	73.9	Confident	136 Å²	136	85.9 Å²	85.9	51%	0.513	49%	0.485	S	S	.	.	S	Bend	trans	-77.2	132.7	179.3	-56.3	178.6	84	165.1	4.4	108.9	P290	P290-R293 WeakPolarHBondContact O-CB 3.23Å; P290-R293 PolarHBondContact O-N 3.27Å
294	L	72.3	Confident	71.2	Confident	84 Å²	84	94.3 Å²	94.3	44%	0.44	52%	0.523	S	S	.	.			trans	-68.6	139.1	175.9	-69.5	169.7	0	0	0	109.5	G296 E297	L294-G296 PolarHBondContact O-N 3.4Å; L294-E297 PolarHBondContact O-N 3.17Å
295	A	57.3	Low	68.6	Low	116 Å²	116	97.3 Å²	97.3	96%	0.959	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	87.5	167.5	0	0	0	0	0	108.6
296	G	52.5	Low	65.7	Low	68 Å²	68	94.7 Å²	94.7	70%	0.701	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.6	-22.9	-175.5	0	0	0	0	0	114.3	L294 V298	L294-G296 PolarHBondContact O-N 3.4Å; G296-V298 PolarHBondContact O-N 3.19Å
297	E	49.5	Very low	63	Low	133 Å²	133	101.3 Å²	101.3	62%	0.621	58%	0.581	S	S	*	*			trans	-81.8	70	168.3	-73	-175.8	173.4	0	0	109.6	L294 S299	L294-E297 PolarHBondContact O-N 3.17Å; E297-S299 PolarHBondContact O-N 2.93Å
298	V	44.4	Very low	60.5	Low	128 Å²	128	106.9 Å²	106.9	78%	0.776	61%	0.609	S	S	*	*			trans	-58.1	111.3	153.5	179.2	0	0	0	0	104.8	G296 M300	G296-V298 PolarHBondContact O-N 3.19Å; V298-M300 PolarHBondContact O-N 2.84Å
299	S	43.9	Very low	58	Low	76 Å²	76	111.1 Å²	111.1	53%	0.531	62%	0.616	S	S	.	*			trans	-47.8	116.3	169.9	56.5	0	0	0	0	107.1	E297 S301	E297-S299 PolarHBondContact O-N 2.93Å; S299-S301 PolarHBondContact O-N 3Å
300	M	41.6	Very low	55	Low	188 Å²	188	118 Å²	118	93%	0.926	65%	0.652	S	S	*	*			trans	-60.9	92.7	156.6	-76	-149.3	159.7	0	0	105.2	V298 K302	V298-M300 PolarHBondContact O-N 2.84Å; M300-K302 PolarHBondContact O-N 2.85Å
301	S	40.7	Very low	52	Low	98 Å²	98	125.9 Å²	125.9	69%	0.685	67%	0.674	S	S	*	*			trans	-48.1	126	163.7	48.2	0	0	0	0	106.1	S299	S299-S301 PolarHBondContact O-N 3Å
302	K	41.4	Very low	49.1	Very low	190 Å²	190	131.8 Å²	131.8	83%	0.826	71%	0.71	S	S	*	*			trans	-41.2	135.8	170.1	-69.1	177.9	175.7	179.1	0	108.6	M300 E304	M300-K302 PolarHBondContact O-N 2.85Å; K302-E304 PolarHBondContact O-N 3.11Å; K302-E304 VanDerWaalsContact O-N 3.11Å
303	P	39.9	Very low	46.2	Very low	123 Å²	123	138.8 Å²	138.8	80%	0.799	75%	0.746	S	S	*	*			trans	-55.8	126.2	172.6	23.5	-29.3	0	0	0	107.1	D305	P303-D305 PolarHBondContact O-N 2.74Å
304	E	41.9	Very low	43.8	Very low	187 Å²	187	139.7 Å²	139.7	87%	0.874	76%	0.761	S	S	*	*			trans	-50.1	132.8	169.7	-70.4	-175.4	151.6	0	0	107.8	K302 G306	K302-E304 PolarHBondContact O-N 3.11Å; K302-E304 VanDerWaalsContact O-N 3.11Å; E304-G306 PolarHBondContact O-N 2.95Å
305	D	42.9	Very low	42.2	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	78%	0.775	S	S	*	*			trans	-54.2	101.5	175.6	-166.3	21.1	0	0	0	107.9	P303 D307	P303-D305 PolarHBondContact O-N 2.74Å; D305-D307 PolarHBondContact O-N 3.02Å
306	G	36.9	Very low	41.4	Very low	56 Å²	56	142.8 Å²	142.8	58%	0.577	77%	0.766	S	S	*	*			trans	-68	101.7	178	0	0	0	0	0	107.6	E304 I308	E304-G306 PolarHBondContact O-N 2.95Å; G306-I308 VanDerWaalsContact C-N 3.34Å; G306-I308 PolarHBondContact O-N 2.96Å
307	D	42.9	Very low	40.7	Very low	140 Å²	140	145.8 Å²	145.8	75%	0.749	77%	0.771	S	S	*	*			trans	-60.7	93.1	175.8	-150.6	16.8	0	0	0	109	D305 R309	D305-D307 PolarHBondContact O-N 3.02Å; D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 3.24Å
308	I	44	Very low	40.2	Very low	151 Å²	151	144.3 Å²	144.3	77%	0.774	78%	0.775	S	S	*	*			trans	-72.8	89.5	176.5	-58.5	176	0	0	0	107.5	G306 L310	G306-I308 VanDerWaalsContact C-N 3.34Å; G306-I308 PolarHBondContact O-N 2.96Å; I308-L310 PolarHBondContact O-N 2.8Å
309	R	45	Very low	39.9	Very low	213 Å²	213	143.2 Å²	143.2	80%	0.804	77%	0.773	S	S	*	*			trans	-70.5	107.5	164.2	-81	-173.5	173.9	-172.3	-2.2	109.7	D307 R311	D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 3.24Å; R309-R311 PolarHBondContact O-N 3.17Å
310	L	33.7	Very low	39.6	Very low	160 Å²	160	145.5 Å²	145.5	84%	0.838	78%	0.784	S	S	*	*			trans	-57.2	115.3	162.4	-110.1	95	0	0	0	109	I308	I308-L310 PolarHBondContact O-N 2.8Å
311	R	34.6	Very low	39.5	Very low	233 Å²	233	141.9 Å²	141.9	88%	0.879	78%	0.777	S	S	*	*			trans	-92	111.6	162.9	-72.4	-172.1	177.7	-179.8	0.3	108.2	R309	R309-R311 PolarHBondContact O-N 3.17Å
312	T	37.7	Very low	39.3	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	79%	0.785	S	S	*	*			trans	-64.8	131.8	167	-4.1	0	0	0	0	109.1
313	I	37.5	Very low	39.4	Very low	151 Å²	151	138.6 Å²	138.6	77%	0.774	78%	0.779	S	S	*	*			trans	-87.3	107.3	172.8	-63.2	170.6	0	0	0	106.4
314	D	38.8	Very low	39.4	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	78%	0.778	S	S	*	*			trans	-88.6	116.5	164.7	-78	-32.8	0	0	0	109.2
315	T	39	Very low	39.5	Very low	119 Å²	119	139.4 Å²	139.4	73%	0.73	77%	0.769	S	S	*	*			trans	-78.5	125.7	169.8	42.4	0	0	0	0	110.9
316	D	40.6	Very low	39.6	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	76%	0.762	S	S	*	*			trans	48.6	125.7	146.6	-69.3	-22.2	0	0	0	120.8
317	T	37.7	Very low	40	Very low	131 Å²	131	145.6 Å²	145.6	80%	0.804	80%	0.795	S	S	*	*				-171.1	123.6	98.5	23.4	0	0	0	0	113.2
318	S	39	Very low	39.8	Very low	101 Å²	101	145.9 Å²	145.9	71%	0.706	80%	0.798	S	S	*	*			trans	25.8	126.2	139.9	62.8	0	0	0	0	120.3
319	S	38.2	Very low	39.6	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	80%	0.799	S	S	*	*				163.4	133.5	89.6	50.4	0	0	0	0	114.5
320	T	37.4	Very low	39.3	Very low	125 Å²	125	141.9 Å²	141.9	77%	0.767	80%	0.799	S	S	*	*			trans	61.4	110.7	141.3	51.4	0	0	0	0	123.6
321	S	38.9	Very low	39.7	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	80%	0.796	S	S	*	*				49.1	125.3	126.1	73.5	0	0	0	0	121.7
322	S	37.4	Very low	40	Very low	120 Å²	120	135.1 Å²	135.1	84%	0.839	79%	0.791	S	S	*	*				177.8	152	102.2	-177	0	0	0	0	111.5
323	S	43	Very low	40.1	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	79%	0.793	S	S	*	*			trans	-74.2	172.7	-167.3	-44.2	0	0	0	0	117.4
324	K	40.6	Very low	40.3	Very low	179 Å²	179	134.7 Å²	134.7	78%	0.778	80%	0.795	S	S	*	*			trans	86	151.4	154.3	-64.6	-179.5	166.3	-138	0	116.6
325	E	43.5	Very low	40.4	Very low	147 Å²	147	133.1 Å²	133.1	69%	0.687	79%	0.792	S	S	*	*			cis	-163.8	155.6	-14.5	-115.2	169.3	145	0	0	104.4
326	S	44.3	Very low	40.6	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	80%	0.797	S	S	*	*			trans	-17	136.1	160.3	41.9	0	0	0	0	119.6
327	L	46.1	Very low	40.5	Very low	245 Å²	245	133.2 Å²	133.2	100%	1.283	80%	0.798	S	S	*	*				-160.2	0	113.3	-102.8	166.1	0	0	0	110.8

Retrieved 327 of 327 residues in 792.3 ms (Link to these results)

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