A0A087XIV7_POEFO Loading...

General transcription factor IIH, polypeptide 2

AlphaFold DB , UniProt , Accession A0A087XIV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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	40	Very low	53.2	Low	228 Å²	228	173.5 Å²	173.5	100%	1.123	81%	0.808	S	S	*	*				0	90.5	0	-169.4	170.3	169	0	0	103.8
2	D	45.6	Very low	53.7	Low	161 Å²	161	168 Å²	168	86%	0.861	78%	0.783	S	S	*	*			trans	-82.4	118.6	-170.7	-61.5	-52.9	0	0	0	108.9
3	E	50.2	Low	53.9	Low	183 Å²	183	160.1 Å²	160.1	86%	0.855	77%	0.774	S	S	*	*			trans	-97.3	93.7	163.8	-79.1	-174.8	167.3	0	0	107.8
4	E	50.5	Low	53.6	Low	181 Å²	181	152.6 Å²	152.6	85%	0.846	76%	0.759	S	S	*	*			trans	-63.3	128.9	166.3	-119.5	174.5	175.1	0	0	108.4	E6	E4-E6 PolarHBondContact O-N 2.83Å
5	P	54.2	Low	53.3	Low	117 Å²	117	153.7 Å²	153.7	76%	0.76	75%	0.753	S	S	*	*			trans	-60.5	127.3	175.7	24.5	-31.6	0	0	0	108.5	R7	P5-R7 PolarHBondContact O-N 2.79Å
6	E	57.8	Low	53.4	Low	195 Å²	195	154.9 Å²	154.9	91%	0.911	76%	0.757	S	S	*	*			trans	-48.3	110.4	177.2	-82.7	-165.3	146.3	0	0	109.3	E4 A8	E4-E6 PolarHBondContact O-N 2.83Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.18Å
7	R	55.8	Low	53.7	Low	231 Å²	231	154.6 Å²	154.6	87%	0.872	75%	0.745	S	S	*	*			trans	-66.8	96	178.5	-167.6	178.8	-175.4	-179.9	4.1	107.2	P5 K9	P5-R7 PolarHBondContact O-N 2.79Å; R7-K9 PolarHBondContact O-N 2.86Å
8	A	59.6	Low	53.7	Low	61 Å²	61	151.7 Å²	151.7	50%	0.504	74%	0.739	S	S	.	*			trans	-41.4	130.7	172.4	0	0	0	0	0	108.9	E6 E12	E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.18Å; A8-E12 WeakPolarHBondContact CA-OE2 3.47Å; A8-E12 HydrophobicContact CB-CB 4.19Å
9	K	55.3	Low	53.9	Low	130 Å²	130	153.1 Å²	153.1	57%	0.565	74%	0.735	S	S	*	*			trans	-58.4	147.1	-170.5	-66.2	175.6	-177.7	169.7	0	108.2	R7 W11 E12 G13	R7-K9 PolarHBondContact O-N 2.86Å; K9-W11 HydrophobicContact CB-CD2 4.5Å; K9-W11 HydrophobicContact CB-CG 4.32Å; K9-W11 HydrophobicContact CB-CZ2 4.47Å; K9-W11 HydrophobicContact CD-CZ2 3.93Å; K9-W11 PolarHBondContact O-N 3.37Å; K9-E12 HydrophobicContact CB-CG 4.48Å; K9-E12 PolarHBondContact N-OE2 3.2Å; K9-E12 WeakPolarHBondContact O-CA 3.29Å; K9-E12 WeakPolarHBondContact O-CB 3.48Å; K9-E12 PolarHBondContact O-N 3.32Å; K9-G13 PolarHBondContact O-N 2.72Å
10	R	55.5	Low	54	Low	237 Å²	237	152 Å²	152	89%	0.894	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-14.9	-175.9	-78.5	169.2	82.8	-176.4	6.2	115.2
11	W	61.1	Low	54.1	Low	184 Å²	184	150.9 Å²	150.9	70%	0.697	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-15.9	172.6	61.1	-93.7	0	0	0	114.2	K9	K9-W11 HydrophobicContact CB-CD2 4.5Å; K9-W11 HydrophobicContact CB-CG 4.32Å; K9-W11 HydrophobicContact CB-CZ2 4.47Å; K9-W11 HydrophobicContact CD-CZ2 3.93Å; K9-W11 PolarHBondContact O-N 3.37Å
12	E	59.3	Low	54.9	Low	108 Å²	108	143.3 Å²	143.3	51%	0.505	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-28.5	172.6	-66.7	170.5	159.7	0	0	111.6	A8 K9	A8-E12 WeakPolarHBondContact CA-OE2 3.47Å; A8-E12 HydrophobicContact CB-CB 4.19Å; K9-E12 HydrophobicContact CB-CG 4.48Å; K9-E12 PolarHBondContact N-OE2 3.2Å; K9-E12 WeakPolarHBondContact O-CA 3.29Å; K9-E12 WeakPolarHBondContact O-CB 3.48Å; K9-E12 PolarHBondContact O-N 3.32Å
13	G	55.6	Low	55.5	Low	65 Å²	65	144.4 Å²	144.4	67%	0.67	69%	0.693	S	S	*	*	S	Bend	trans	-99	6.4	179.1	0	0	0	0	0	116	K9	K9-G13 PolarHBondContact O-N 2.72Å
14	G	50.6	Low	55.9	Low	55 Å²	55	141.9 Å²	141.9	57%	0.567	68%	0.681	S	S	*	*			trans	-115.3	13.6	-167.2	0	0	0	0	0	115.7	E16	G14-E16 PolarHBondContact O-N 3.26Å
15	Y	48.9	Very low	56.4	Low	169 Å²	169	136 Å²	136	66%	0.663	66%	0.655	S	S	*	*			trans	-87.8	65.9	160.6	-156.4	-93.3	0	0	0	107.1	R17	Y15-R17 VanDerWaalsContact C-N 3.31Å; Y15-R17 HydrophobicContact CD1-CG 4.05Å; Y15-R17 HydrophobicContact CE1-CG 4.44Å; Y15-R17 PolarHBondContact O-N 3.49Å
16	E	55.2	Low	56.5	Low	174 Å²	174	140.8 Å²	140.8	81%	0.813	67%	0.667	S	S	*	*			trans	-55.2	109	159.6	-80.8	-168.9	165	0	0	105.2	G14 T18	G14-E16 PolarHBondContact O-N 3.26Å; E16-T18 PolarHBondContact O-N 2.95Å
17	R	57.2	Low	56.8	Low	150 Å²	150	136.2 Å²	136.2	57%	0.566	66%	0.657	S	S	*	*			trans	-63	101.2	-172.9	-68.3	158.5	177.7	169.8	-0.2	106.3	Y15 W19 E20	Y15-R17 VanDerWaalsContact C-N 3.31Å; Y15-R17 HydrophobicContact CD1-CG 4.05Å; Y15-R17 HydrophobicContact CE1-CG 4.44Å; Y15-R17 PolarHBondContact O-N 3.49Å; R17-W19 PolarHBondContact O-N 3.38Å; R17-E20 HydrophobicContact CB-CG 3.86Å; R17-E20 WeakPolarHBondContact CD-OE1 3.17Å; R17-E20 IonicContact CZ-OE1 3.15Å; R17-E20 IonicContact NE-OE1 2.67Å; R17-E20 IonicContact NH1-OE1 2.86Å; R17-E20 PolarHBondContact NH1-OE1 3.4Å; R17-E20 WeakPolarHBondContact O-CB 3.46Å; R17-E20 PolarHBondContact O-N 2.93Å
18	T	54	Low	57.1	Low	102 Å²	102	127.3 Å²	127.3	63%	0.626	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-55.1	-17.9	173.9	32.6	0	0	0	0	112.5	E16	E16-T18 PolarHBondContact O-N 2.95Å
19	W	58.2	Low	57	Low	178 Å²	178	126.2 Å²	126.2	67%	0.674	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-70.5	-18.7	170.7	-52.3	102.5	0	0	0	115.2	R17 V21 L22	R17-W19 PolarHBondContact O-N 3.38Å; W19-V21 VanDerWaalsContact C-N 3.31Å; W19-L22 HydrophobicContact CE3-CD1 3.83Å; W19-L22 HydrophobicContact CZ3-CD1 4.29Å; W19-L22 PolarHBondContact O-N 3.3Å
20	E	55.3	Low	57.1	Low	130 Å²	130	123 Å²	123	61%	0.607	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-75.9	-19.4	177.6	-74.6	176.5	175.8	0	0	112.7	R17	R17-E20 HydrophobicContact CB-CG 3.86Å; R17-E20 WeakPolarHBondContact CD-OE1 3.17Å; R17-E20 IonicContact CZ-OE1 3.15Å; R17-E20 IonicContact NE-OE1 2.67Å; R17-E20 IonicContact NH1-OE1 2.86Å; R17-E20 PolarHBondContact NH1-OE1 3.4Å; R17-E20 WeakPolarHBondContact O-CB 3.46Å; R17-E20 PolarHBondContact O-N 2.93Å
21	V	57.3	Low	57.2	Low	130 Å²	130	118.9 Å²	118.9	79%	0.788	60%	0.603	S	S	*	*	S	Bend	trans	-81.5	-19.3	175.2	-177.1	0	0	0	0	111.8	W19 K23	W19-V21 VanDerWaalsContact C-N 3.31Å; V21-K23 PolarHBondContact O-N 2.95Å
22	L	56.6	Low	57.1	Low	68 Å²	68	112.6 Å²	112.6	36%	0.356	59%	0.59	S	S	.	*			trans	-74.7	95.4	173.5	-87.8	129.1	0	0	0	108.9	W19 L30	W19-L22 HydrophobicContact CE3-CD1 3.83Å; W19-L22 HydrophobicContact CZ3-CD1 4.29Å; W19-L22 PolarHBondContact O-N 3.3Å; L22-L30 HydrophobicContact CB-CD1 4.26Å; L22-L30 HydrophobicContact CB-CD2 3.79Å; L22-L30 HydrophobicContact CD2-CB 4.39Å; L22-L30 HydrophobicContact CD2-CD1 4.28Å; L22-L30 HydrophobicContact CD2-CD2 4.08Å; L22-L30 HydrophobicContact CD2-CG 4.5Å
23	K	57.9	Low	57	Low	185 Å²	185	111.1 Å²	111.1	80%	0.804	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-79.7	124.7	175.5	-117.3	177.2	179.4	176.3	0	110.3	V21 L30	V21-K23 PolarHBondContact O-N 2.95Å; K23-L30 WeakPolarHBondContact O-CD2 3.32Å
24	E	58.7	Low	57.1	Low	130 Å²	130	111.3 Å²	111.3	61%	0.607	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-66.2	142.7	170.9	-69.1	175.9	176.9	0	0	110.6	L30	E24-L30 HydrophobicContact CB-CD2 4.47Å; E24-L30 HydrophobicContact CG-CD2 3.85Å; E24-L30 HydrophobicContact CG-CG 3.99Å
25	D	59.6	Low	57.6	Low	57 Å²	57	115 Å²	115	31%	0.305	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-70.3	173.1	168.5	63.8	25.9	0	0	0	111.5	S27 G28 S29	D25-S27 PolarHBondContact O-N 2.84Å; D25-S27 WeakPolarHBondContact OD1-CA 3.14Å; D25-S27 WeakPolarHBondContact OD1-CB 3.4Å; D25-S27 PolarHBondContact OD1-N 3.08Å; D25-S27 PolarHBondContact OD1-OG 3.39Å; D25-G28 PolarHBondContact O-N 3.3Å; D25-G28 PolarHBondContact OD1-N 3.37Å; D25-S29 PolarHBondContact N-O 3.05Å; D25-S29 VanDerWaalsContact N-O 3.1Å; D25-S29 PolarHBondContact OD1-N 3.08Å
26	E	57.6	Low	58.2	Low	217 Å²	217	112.8 Å²	112.8	100%	1.014	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-12.4	-179.8	-74.2	-175.2	157.5	0	0	114
27	S	63.8	Low	58.6	Low	99 Å²	99	109.6 Å²	109.6	69%	0.692	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-1.2	175.6	77.5	0	0	0	0	114.1	D25	D25-S27 PolarHBondContact O-N 2.84Å; D25-S27 WeakPolarHBondContact OD1-CA 3.14Å; D25-S27 WeakPolarHBondContact OD1-CB 3.4Å; D25-S27 PolarHBondContact OD1-N 3.08Å; D25-S27 PolarHBondContact OD1-OG 3.39Å
28	G	62.4	Low	58.7	Low	44 Å²	44	106.7 Å²	106.7	45%	0.454	56%	0.557	S	S	.	*	S	Bend	trans	81.3	18.8	-176.7	0	0	0	0	0	114.1	D25	D25-G28 PolarHBondContact O-N 3.3Å; D25-G28 PolarHBondContact OD1-N 3.37Å
29	S	56.4	Low	59.1	Low	39 Å²	39	108.5 Å²	108.5	27%	0.273	55%	0.554	S	S	.	*			trans	-111	138.1	-174.7	-175.1	0	0	0	0	112.1	D25	D25-S29 PolarHBondContact N-O 3.05Å; D25-S29 VanDerWaalsContact N-O 3.1Å; D25-S29 PolarHBondContact OD1-N 3.08Å
30	L	58.6	Low	59.2	Low	63 Å²	63	105 Å²	105	33%	0.33	55%	0.545	S	S	.	.	S	Bend	trans	-95.1	1.4	178.5	-69.2	170.9	0	0	0	113.6	L22 K23 E24	L22-L30 HydrophobicContact CB-CD1 4.26Å; L22-L30 HydrophobicContact CB-CD2 3.79Å; L22-L30 HydrophobicContact CD2-CB 4.39Å; L22-L30 HydrophobicContact CD2-CD1 4.28Å; L22-L30 HydrophobicContact CD2-CD2 4.08Å; L22-L30 HydrophobicContact CD2-CG 4.5Å; K23-L30 WeakPolarHBondContact O-CD2 3.32Å; E24-L30 HydrophobicContact CB-CD2 4.47Å; E24-L30 HydrophobicContact CG-CD2 3.85Å; E24-L30 HydrophobicContact CG-CG 3.99Å
31	K	56.9	Low	59.3	Low	150 Å²	150	101.6 Å²	101.6	65%	0.652	54%	0.535	S	S	*	.	H	α-helix	trans	-78	-36	-167.1	-68.6	-179.7	178.6	176.4	0	113.8	T33 V34 E35	K31-T33 PolarHBondContact O-N 3.27Å; K31-V34 PolarHBondContact O-N 3.44Å; K31-E35 WeakPolarHBondContact O-CG 3.27Å; K31-E35 PolarHBondContact O-N 3.46Å; K31-E35 VanDerWaalsContact O-N 3.16Å
32	A	58.3	Low	59.3	Low	51 Å²	51	100 Å²	100	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-43.3	-171	0	0	0	0	0	113	V34 E35 E36	A32-V34 PolarHBondContact O-N 3.44Å; A32-E35 PolarHBondContact O-N 3.43Å; A32-E36 PolarHBondContact O-N 3.41Å; A32-E36 VanDerWaalsContact O-N 3.13Å
33	T	58.3	Low	59	Low	78 Å²	78	104.3 Å²	104.3	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-36.5	-176.7	-37.2	0	0	0	0	112.6	K31 I37	K31-T33 PolarHBondContact O-N 3.27Å; T33-I37 WeakPolarHBondContact O-CD1 3.13Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.09Å
34	V	58.3	Low	58.8	Low	68 Å²	68	102.7 Å²	102.7	41%	0.412	52%	0.522	S	S	.	.	H	α-helix	trans	-72.3	-41.3	178.9	178.4	0	0	0	0	110.8	K31 A32 E36 I37 L38	K31-V34 PolarHBondContact O-N 3.44Å; A32-V34 PolarHBondContact O-N 3.44Å; V34-E36 VanDerWaalsContact C-N 3.32Å; V34-E36 PolarHBondContact O-N 3.33Å; V34-I37 PolarHBondContact O-N 2.73Å; V34-L38 HydrophobicContact CG1-CD1 3.88Å; V34-L38 WeakPolarHBondContact O-CB 3.49Å; V34-L38 PolarHBondContact O-N 3.19Å; V34-L38 VanDerWaalsContact O-N 3.1Å
35	E	59.4	Low	58.6	Low	133 Å²	133	103.4 Å²	103.4	62%	0.621	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-38.3	176.7	-77.2	-178.4	173.5	0	0	112.1	K31 A32 L38 Y39	K31-E35 WeakPolarHBondContact O-CG 3.27Å; K31-E35 PolarHBondContact O-N 3.46Å; K31-E35 VanDerWaalsContact O-N 3.16Å; A32-E35 PolarHBondContact O-N 3.43Å; E35-L38 PolarHBondContact O-N 3.3Å; E35-Y39 WeakPolarHBondContact O-CB 3.35Å; E35-Y39 PolarHBondContact O-N 2.9Å
36	E	62.8	Low	58.1	Low	122 Å²	122	105.3 Å²	105.3	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-68.3	-40.8	-179.5	-154.1	175.4	-166.9	0	0	112.5	A32 V34 Y39 Q40	A32-E36 PolarHBondContact O-N 3.41Å; A32-E36 VanDerWaalsContact O-N 3.13Å; V34-E36 VanDerWaalsContact C-N 3.32Å; V34-E36 PolarHBondContact O-N 3.33Å; E36-Y39 PolarHBondContact O-N 2.9Å; E36-Q40 WeakPolarHBondContact O-CB 3.41Å; E36-Q40 WeakPolarHBondContact O-CG 3.38Å; E36-Q40 PolarHBondContact O-N 2.92Å
37	I	62.3	Low	57.6	Low	108 Å²	108	100.3 Å²	100.3	55%	0.554	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-43.7	175.4	-65.4	167.4	0	0	0	111	T33 V34 S41	T33-I37 WeakPolarHBondContact O-CD1 3.13Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.09Å; V34-I37 PolarHBondContact O-N 2.73Å; I37-S41 WeakPolarHBondContact O-CB 3.39Å; I37-S41 PolarHBondContact O-N 3.46Å; I37-S41 VanDerWaalsContact O-N 3.08Å; I37-S41 PolarHBondContact O-OG 2.8Å
38	L	59.7	Low	57.1	Low	88 Å²	88	103.8 Å²	103.8	46%	0.461	52%	0.523	S	S	.	.	H	α-helix	trans	-62.9	-42.1	174.6	-103.8	131.1	0	0	0	111.5	V34 E35 S41 K42	V34-L38 HydrophobicContact CG1-CD1 3.88Å; V34-L38 WeakPolarHBondContact O-CB 3.49Å; V34-L38 PolarHBondContact O-N 3.19Å; V34-L38 VanDerWaalsContact O-N 3.1Å; E35-L38 PolarHBondContact O-N 3.3Å; L38-S41 PolarHBondContact O-N 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.41Å; L38-K42 WeakPolarHBondContact O-CG 3.5Å; L38-K42 PolarHBondContact O-N 2.62Å
39	Y	63.1	Low	56.7	Low	140 Å²	140	104.4 Å²	104.4	55%	0.549	52%	0.52	S	S	.	.	H	α-helix	trans	-66.6	-42.9	180	-175.6	-101.9	0	0	0	112.4	E35 E36 K42 R43	E35-Y39 WeakPolarHBondContact O-CB 3.35Å; E35-Y39 PolarHBondContact O-N 2.9Å; E36-Y39 PolarHBondContact O-N 2.9Å; Y39-K42 PolarHBondContact O-N 2.81Å; Y39-R43 HydrophobicContact CE1-CG 4.22Å; Y39-R43 PolarHBondContact O-N 2.98Å
40	Q	59.8	Low	56.6	Low	106 Å²	106	110.6 Å²	110.6	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-64.2	-39.7	175	-72.6	-176.5	18.8	0	0	112.2	E36 R43 K44	E36-Q40 WeakPolarHBondContact O-CB 3.41Å; E36-Q40 WeakPolarHBondContact O-CG 3.38Å; E36-Q40 PolarHBondContact O-N 2.92Å; Q40-R43 PolarHBondContact O-N 3.32Å; Q40-K44 PolarHBondContact O-N 3.07Å; Q40-K44 VanDerWaalsContact O-N 3.08Å
41	S	58.6	Low	56.7	Low	57 Å²	57	111.1 Å²	111.1	40%	0.399	56%	0.558	S	S	.	*	H	α-helix	trans	-64.7	-41.2	176	-58.7	0	0	0	0	111.8	I37 L38 R45	I37-S41 WeakPolarHBondContact O-CB 3.39Å; I37-S41 PolarHBondContact O-N 3.46Å; I37-S41 VanDerWaalsContact O-N 3.08Å; I37-S41 PolarHBondContact O-OG 2.8Å; L38-S41 PolarHBondContact O-N 3.31Å; S41-R45 WeakPolarHBondContact O-CG 3.18Å; S41-R45 PolarHBondContact O-N 2.68Å
42	K	55.5	Low	57	Low	97 Å²	97	114 Å²	114	42%	0.422	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-45.2	173	-77.7	-179.2	175.4	-177.6	0	112.1	L38 Y39 K44 R45 V46 E230	L38-K42 WeakPolarHBondContact O-CB 3.41Å; L38-K42 WeakPolarHBondContact O-CG 3.5Å; L38-K42 PolarHBondContact O-N 2.62Å; Y39-K42 PolarHBondContact O-N 2.81Å; K42-K44 PolarHBondContact O-N 3.16Å; K42-R45 PolarHBondContact O-N 3.06Å; K42-V46 WeakPolarHBondContact O-CG2 3.43Å; K42-V46 PolarHBondContact O-N 2.94Å; K42-E230 WeakPolarHBondContact CE-OE1 3.4Å
43	R	51.9	Low	57.7	Low	159 Å²	159	115.1 Å²	115.1	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-61.7	-40.8	178.5	-88.6	179.5	72	179.7	4	113.4	Y39 Q40 R45 V46 T47	Y39-R43 HydrophobicContact CE1-CG 4.22Å; Y39-R43 PolarHBondContact O-N 2.98Å; Q40-R43 PolarHBondContact O-N 3.32Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.81Å; R43-V46 PolarHBondContact O-N 3.04Å; R43-T47 PolarHBondContact O-N 3.35Å; R43-T47 PolarHBondContact O-OG1 2.8Å
44	K	52.3	Low	58.4	Low	151 Å²	151	117.3 Å²	117.3	66%	0.657	57%	0.574	S	S	*	*	H	α-helix	trans	-64.7	-32.2	178.3	-75.9	-177.4	-180	177.1	0	113	Q40 K42 T47	Q40-K44 PolarHBondContact O-N 3.07Å; Q40-K44 VanDerWaalsContact O-N 3.08Å; K42-K44 PolarHBondContact O-N 3.16Å; K44-T47 PolarHBondContact O-OG1 3.27Å
45	R	54.1	Low	59.3	Low	145 Å²	145	118.1 Å²	118.1	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-76.4	-36.7	177.9	-68	176.1	-177.1	-177.9	-0.4	112.8	S41 K42 R43 E230	S41-R45 WeakPolarHBondContact O-CG 3.18Å; S41-R45 PolarHBondContact O-N 2.68Å; K42-R45 PolarHBondContact O-N 3.06Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.81Å; R45-E230 IonicContact NH1-OE2 2.73Å; R45-E230 PolarHBondContact NH1-OE2 3.39Å
46	V	50.1	Low	60.1	Low	97 Å²	97	112.4 Å²	112.4	59%	0.588	55%	0.553	S	S	*	*	H	α-helix	trans	-69.8	-33.6	179	174.2	0	0	0	0	112.3	K42 R43 Q48	K42-V46 WeakPolarHBondContact O-CG2 3.43Å; K42-V46 PolarHBondContact O-N 2.94Å; R43-V46 PolarHBondContact O-N 3.04Å; V46-Q48 VanDerWaalsContact C-N 3.32Å; V46-Q48 PolarHBondContact O-N 2.97Å
47	T	47.8	Very low	60.9	Low	112 Å²	112	113.1 Å²	113.1	69%	0.687	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-14.4	-175.7	26.5	0	0	0	0	114.8	R43 K44	R43-T47 PolarHBondContact O-N 3.35Å; R43-T47 PolarHBondContact O-OG1 2.8Å; K44-T47 PolarHBondContact O-OG1 3.27Å
48	Q	52.5	Low	62.2	Low	172 Å²	172	110.8 Å²	110.8	80%	0.804	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.8	-179.6	-77	-174.1	-27.4	0	0	114.5	V46 H50	V46-Q48 VanDerWaalsContact C-N 3.32Å; V46-Q48 PolarHBondContact O-N 2.97Å; Q48-H50 PolarHBondContact O-N 3.48Å
49	S	53.3	Low	63.8	Low	57 Å²	57	106.7 Å²	106.7	40%	0.399	52%	0.523	S	S	.	.			trans	-94.4	13.8	-165.4	82.8	0	0	0	0	117	K237	S49-K237 PolarHBondContact OG-NZ 3.5Å
50	H	54	Low	65.3	Low	169 Å²	169	100.7 Å²	100.7	78%	0.782	50%	0.5	S	S	*	.			trans	-116	64	-177.9	-69.3	-68.4	0	0	0	112.5	Q48	Q48-H50 PolarHBondContact O-N 3.48Å
51	A	61.1	Low	67	Low	74 Å²	74	95.9 Å²	95.9	61%	0.612	48%	0.478	S	S	*	.			trans	-83.9	133.3	160	0	0	0	0	0	109	V53	A51-V53 VanDerWaalsContact C-N 3.34Å; A51-V53 HydrophobicContact CB-CG1 3.91Å; A51-V53 PolarHBondContact O-N 3.45Å
52	Q	63.7	Low	68.9	Low	210 Å²	210	93.1 Å²	93.1	98%	0.981	46%	0.459	S	S	*	.			trans	-69.7	91.3	169.6	-96.5	176.4	-37.2	0	0	109.2
53	V	73.8	Confident	70.9	Confident	75 Å²	75	88.5 Å²	88.5	46%	0.455	44%	0.439	S	S	.	.			trans	-130	149.7	-178.5	-65	0	0	0	0	110.1	A51 L55 P240	A51-V53 VanDerWaalsContact C-N 3.34Å; A51-V53 HydrophobicContact CB-CG1 3.91Å; A51-V53 PolarHBondContact O-N 3.45Å; V53-L55 HydrophobicContact CG2-CD2 4.24Å; V53-L55 PolarHBondContact O-N 3.13Å; V53-P240 HydrophobicContact CB-CB 4.33Å; V53-P240 HydrophobicContact CG2-CB 3.83Å
54	R	72.9	Confident	73.1	Confident	123 Å²	123	81 Å²	81	46%	0.464	41%	0.41	S	S	.	.			trans	-62.7	129.6	174.5	-175.1	177.4	173.9	-154.5	-7.4	109.2	A241 S245 E246 S247	R54-A241 HydrophobicContact CB-CB 4.45Å; R54-A241 HydrophobicContact CG-CB 4.15Å; R54-A241 WeakPolarHBondContact O-CB 3.42Å; R54-A241 PolarHBondContact O-N 3.48Å; R54-S245 PolarHBondContact NH1-O 3.47Å; R54-E246 PolarHBondContact NH2-O 3.36Å; R54-S247 PolarHBondContact NH1-OG 3.17Å; R54-S247 VanDerWaalsContact NH2-CB 3.34Å; R54-S247 PolarHBondContact NH2-OG 3.34Å
55	L	77.2	Confident	75.3	Confident	86 Å²	86	73.8 Å²	73.8	45%	0.45	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-104.5	147.2	-179.7	-62.1	176	0	0	0	111.2	V53 M57 P238	V53-L55 HydrophobicContact CG2-CD2 4.24Å; V53-L55 PolarHBondContact O-N 3.13Å; L55-M57 PolarHBondContact O-N 3.46Å; L55-P238 HydrophobicContact CB-CB 4.27Å
56	G	75	Confident	77.2	Confident	13 Å²	13	66.9 Å²	66.9	13%	0.134	35%	0.353	C	S	.	.			trans	-82.7	92	171.1	0	0	0	0	0	110.9	R59	G56-R59 WeakPolarHBondContact O-CG 3.48Å
57	M	80.1	Confident	79.4	Confident	137 Å²	137	62.6 Å²	62.6	68%	0.675	33%	0.328	S	S	*	.			trans	-69.6	-37.3	-173.3	-67.3	-171.8	74.8	0	0	114.2	L55 I101	L55-M57 PolarHBondContact O-N 3.46Å; M57-I101 HydrophobicContact CB-CD1 4.4Å
58	M	89	Confident	81.6	Confident	58 Å²	58	57.3 Å²	57.3	29%	0.286	30%	0.295	S	S	.	.	S	Bend	trans	-96.7	110.1	177	-82	169.2	-91.6	0	0	109.8	I101 T163 S164 I250	M58-I101 HydrophobicContact CG-CD1 3.55Å; M58-I101 HydrophobicContact CG-CG1 3.95Å; M58-T163 HydrophobicContact CB-CG2 4.29Å; M58-S164 PolarHBondContact O-N 3.4Å; M58-I250 HydrophobicContact CE-CD1 3.19Å; M58-I250 HydrophobicContact CE-CG1 4.21Å; M58-I250 HydrophobicContact SD-CD1 3.25Å; M58-I250 WeakPolarHBondContact SD-CD1 3.16Å
59	R	93.2	Very high	83.5	Confident	2 Å²	2	58 Å²	58	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.8	-172.7	-53.9	168.3	65.4	-163.5	-1.3	110.7	G56 Y95 N99 S102 Q103 E166 H235 V236	G56-R59 WeakPolarHBondContact O-CG 3.48Å; R59-Y95 WeakPolarHBondContact CB-OH 3.5Å; R59-N99 PolarHBondContact NH1-OD1 3.1Å; R59-S102 WeakPolarHBondContact CB-OG 3.43Å; R59-S102 PolarHBondContact N-OG 2.82Å; R59-S102 CarbonylContact O-C 3.54Å; R59-S102 VanDerWaalsContact O-CA 3.29Å; R59-S102 WeakPolarHBondContact O-CA 3.49Å; R59-S102 VanDerWaalsContact O-CB 3.24Å; R59-S102 WeakPolarHBondContact O-CB 3.39Å; R59-Q103 PolarHBondContact O-N 3.44Å; R59-E166 IonicContact CZ-OE1 2.64Å; R59-E166 IonicContact CZ-OE2 2.89Å; R59-E166 IonicContact NE-OE1 3.39Å; R59-E166 PolarHBondContact NE-OE1 3.16Å; R59-E166 IonicContact NE-OE2 3.44Å; R59-E166 PolarHBondContact NE-OE2 2.85Å; R59-E166 IonicContact NH2-OE1 3.83Å; R59-E166 IonicContact NH2-OE2 3.48Å; R59-E166 PolarHBondContact NH2-OE2 2.93Å; R59-H235 PolarHBondContact NH2-O 2.91Å; R59-V236 PolarHBondContact NH1-O 2.97Å
60	H	95.3	Very high	85.4	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.065	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	101.1	169	-60.3	-61.3	0	0	0	107.8	Q103 L120 L156 M159 T163 S164 E166	H60-Q103 PolarHBondContact CE1-OE1 2.93Å; H60-Q103 VanDerWaalsContact CE1-OE1 3.3Å; H60-Q103 PolarHBondContact ND1-OE1 2.87Å; H60-Q103 VanDerWaalsContact ND1-OE1 3.08Å; H60-L120 HydrophobicContact CB-CD1 4.41Å; H60-L120 HydrophobicContact CB-CD2 4.05Å; H60-L156 HydrophobicContact CB-CD2 3.91Å; H60-M159 HydrophobicContact CB-CE 4.47Å; H60-M159 VanDerWaalsContact CD2-CE 3.49Å; H60-M159 WeakPolarHBondContact CD2-CE 3.43Å; H60-M159 WeakPolarHBondContact CE1-CE 3.25Å; H60-M159 VanDerWaalsContact CG-CE 3.48Å; H60-M159 VanDerWaalsContact ND1-CE 3.26Å; H60-M159 WeakPolarHBondContact ND1-CE 3.43Å; H60-M159 VanDerWaalsContact NE2-CE 3.28Å; H60-M159 WeakPolarHBondContact NE2-CE 3.46Å; H60-T163 VanDerWaalsContact CD2-CB 3.42Å; H60-T163 WeakPolarHBondContact CD2-CB 3.47Å; H60-T163 PolarHBondContact CD2-OG1 3.19Å; H60-T163 VanDerWaalsContact CD2-OG1 3.3Å; H60-T163 WeakPolarHBondContact NE2-CG2 3.25Å; H60-S164 PolarHBondContact N-O 3.27Å; H60-E166 PolarHBondContact O-N 2.89Å
61	L	96.6	Very high	87.3	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.9	-175.5	178	64	0	0	0	109.9	V63 F91 Y95 Q103 V104 G105 E166 L168	L61-V63 HydrophobicContact CD2-CG2 4.16Å; L61-V63 HydrophobicContact CG-CG2 4.21Å; L61-F91 HydrophobicContact CD2-CE1 3.94Å; L61-F91 HydrophobicContact CD2-CZ 3.78Å; L61-Y95 HydrophobicContact CD2-CD2 4.2Å; L61-Y95 HydrophobicContact CD2-CE2 3.66Å; L61-Q103 PolarHBondContact N-O 3.41Å; L61-V104 CarbonylContact O-C 3.55Å; L61-V104 VanDerWaalsContact O-CA 3.27Å; L61-V104 WeakPolarHBondContact O-CA 3.13Å; L61-G105 PolarHBondContact O-N 2.84Å; L61-E166 WeakPolarHBondContact CA-O 3.06Å; L61-E166 HydrophobicContact CD1-CB 3.75Å; L61-L168 HydrophobicContact CD1-CB 3.95Å
62	Y	97.9	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.9	162	-89.6	-77.7	0	0	0	110.3	G105 I107 L120 A152 T155 L156 E166 I167 L168	Y62-G105 CarbonylContact C-O 3.55Å; Y62-G105 WeakPolarHBondContact CA-O 3.44Å; Y62-I107 HydrophobicContact CD1-CD1 3.57Å; Y62-I107 HydrophobicContact CD1-CG1 3.89Å; Y62-I107 HydrophobicContact CE1-CD1 3.93Å; Y62-I107 HydrophobicContact CE1-CG1 4.17Å; Y62-I107 HydrophobicContact CG-CD1 4.28Å; Y62-L120 HydrophobicContact CE2-CB 4.48Å; Y62-L120 HydrophobicContact CE2-CD1 4.35Å; Y62-L120 HydrophobicContact CE2-CD2 4.42Å; Y62-A152 HydrophobicContact CD2-CB 4.03Å; Y62-A152 HydrophobicContact CG-CB 4.01Å; Y62-T155 HydrophobicContact CE2-CG2 4.21Å; Y62-T155 VanDerWaalsContact OH-CB 3.26Å; Y62-T155 WeakPolarHBondContact OH-CB 3.4Å; Y62-T155 VanDerWaalsContact OH-CG2 3.32Å; Y62-T155 WeakPolarHBondContact OH-CG2 3.16Å; Y62-T155 PolarHBondContact OH-OG1 3.22Å; Y62-L156 HydrophobicContact CD2-CD1 3.94Å; Y62-L156 HydrophobicContact CD2-CD2 3.95Å; Y62-L156 HydrophobicContact CD2-CG 3.77Å; Y62-L156 HydrophobicContact CE2-CD2 4.13Å; Y62-L156 HydrophobicContact CE2-CG 3.95Å; Y62-E166 PolarHBondContact N-O 3.45Å; Y62-I167 CarbonylContact O-C 3.52Å; Y62-I167 VanDerWaalsContact O-CA 3.29Å; Y62-I167 WeakPolarHBondContact O-CA 3.33Å; Y62-L168 PolarHBondContact O-N 3.27Å
63	V	97.9	Very high	90.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.7	169.5	-175.3	0	0	0	0	108.4	L61 I65 M88 F91 V104 G105 I106 I107 L168 I170	L61-V63 HydrophobicContact CD2-CG2 4.16Å; L61-V63 HydrophobicContact CG-CG2 4.21Å; V63-I65 HydrophobicContact CG1-CD1 4.43Å; V63-I65 HydrophobicContact CG1-CG1 3.92Å; V63-M88 HydrophobicContact CG1-CE 3.91Å; V63-M88 HydrophobicContact CG1-SD 4.38Å; V63-M88 HydrophobicContact CG2-CE 4.15Å; V63-F91 HydrophobicContact CG2-CE1 4.46Å; V63-V104 HydrophobicContact CG2-CG1 4.22Å; V63-G105 PolarHBondContact N-O 2.62Å; V63-I106 WeakPolarHBondContact O-CA 3.14Å; V63-I107 PolarHBondContact O-N 3.21Å; V63-L168 CarbonylContact C-O 3.52Å; V63-L168 VanDerWaalsContact CA-O 3.32Å; V63-L168 WeakPolarHBondContact CA-O 3.47Å; V63-I170 HydrophobicContact CG1-CD1 4.34Å
64	V	98	Very high	90.9	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.8	173.3	-178.4	0	0	0	0	108	I107 T109 I167 L168 I169 I170	V64-I107 CarbonylContact C-O 3.12Å; V64-I107 VanDerWaalsContact CA-O 3.28Å; V64-I107 WeakPolarHBondContact CA-O 3.43Å; V64-I107 HydrophobicContact CG2-CB 4.29Å; V64-T109 HydrophobicContact CG1-CG2 4.31Å; V64-I167 HydrophobicContact CG2-CG2 3.94Å; V64-L168 PolarHBondContact N-O 3.03Å; V64-I169 HydrophobicContact CB-CB 4.42Å; V64-I169 HydrophobicContact CB-CG1 4.1Å; V64-I169 HydrophobicContact CB-CG2 4.32Å; V64-I169 HydrophobicContact CG1-CG2 4.42Å; V64-I169 HydrophobicContact CG2-CG1 4.31Å; V64-I169 WeakPolarHBondContact O-CA 3.39Å; V64-I170 PolarHBondContact O-N 2.87Å
65	I	96.9	Very high	91.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.9	179.4	-53.8	179.3	0	0	0	108.5	V63 T84 L85 M88 I106 I107 T108 T109 L131	V63-I65 HydrophobicContact CG1-CD1 4.43Å; V63-I65 HydrophobicContact CG1-CG1 3.92Å; I65-T84 HydrophobicContact CG2-CG2 4.31Å; I65-L85 HydrophobicContact CD1-CD2 3.95Å; I65-M88 HydrophobicContact CD1-CG 4.35Å; I65-I106 HydrophobicContact CD1-CG2 4.06Å; I65-I106 HydrophobicContact CG1-CG2 4.49Å; I65-I107 PolarHBondContact N-O 3.06Å; I65-T108 CarbonylContact O-C 3.59Å; I65-T108 VanDerWaalsContact O-CA 3.31Å; I65-T108 WeakPolarHBondContact O-CA 3.44Å; I65-T109 PolarHBondContact O-N 3.1Å; I65-L131 HydrophobicContact CD1-CD2 3.82Å
66	D	95.7	Very high	92.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.4	169.4	179.1	6.2	0	0	0	110.1	S68 M71 T109 I170 L171 S172 S173	D66-S68 VanDerWaalsContact CG-OG 3.26Å; D66-S68 WeakPolarHBondContact OD1-CA 3.37Å; D66-S68 WeakPolarHBondContact OD1-CB 3.37Å; D66-S68 PolarHBondContact OD1-N 3.27Å; D66-S68 PolarHBondContact OD1-OG 2.91Å; D66-S68 PolarHBondContact OD2-OG 3.35Å; D66-M71 HydrophobicContact CB-CE 3.79Å; D66-M71 WeakPolarHBondContact O-CE 3.3Å; D66-M71 VanDerWaalsContact O-CG 3.25Å; D66-M71 WeakPolarHBondContact O-CG 3.45Å; D66-T109 HydrophobicContact CB-CG2 4.21Å; D66-I170 VanDerWaalsContact CB-O 3.23Å; D66-I170 WeakPolarHBondContact CB-O 3.45Å; D66-I170 PolarHBondContact N-O 3.42Å; D66-L171 HydrophobicContact CB-CD1 4.25Å; D66-S172 PolarHBondContact OD2-N 3.41Å; D66-S173 PolarHBondContact OD2-N 3.23Å
67	C	95.1	Very high	92.7	Very high	7 Å²	7	50.9 Å²	50.9	5%	0.047	24%	0.239	C	C	.	.			trans	-124.5	33.4	175.3	-60.7	0	0	0	0	110	T109 K110 C139 V140	C67-T109 WeakPolarHBondContact CA-O 3.21Å; C67-T109 PolarHBondContact N-O 3.32Å; C67-K110 HydrophobicContact CB-CB 4.07Å; C67-C139 CarbonylContact O-C 3.56Å; C67-C139 VanDerWaalsContact O-CA 3.29Å; C67-C139 WeakPolarHBondContact O-CA 3.48Å; C67-V140 PolarHBondContact O-N 2.82Å
68	S	93.7	Very high	93.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	23%	0.233	C	C	.	.	S	Bend	trans	-74.5	169.8	173.1	65.4	0	0	0	0	112.3	D66 S70 M71 C139 G141	D66-S68 VanDerWaalsContact CG-OG 3.26Å; D66-S68 WeakPolarHBondContact OD1-CA 3.37Å; D66-S68 WeakPolarHBondContact OD1-CB 3.37Å; D66-S68 PolarHBondContact OD1-N 3.27Å; D66-S68 PolarHBondContact OD1-OG 2.91Å; D66-S68 PolarHBondContact OD2-OG 3.35Å; S68-S70 PolarHBondContact O-N 3.32Å; S68-S70 PolarHBondContact OG-OG 3.45Å; S68-M71 WeakPolarHBondContact O-CB 3.49Å; S68-M71 PolarHBondContact O-N 3.39Å; S68-C139 WeakPolarHBondContact O-CB 3.34Å; S68-G141 WeakPolarHBondContact CA-O 3.4Å; S68-G141 VanDerWaalsContact CB-O 3.26Å; S68-G141 WeakPolarHBondContact CB-O 3.36Å
69	R	93.5	Very high	93.2	Very high	185 Å²	185	47.8 Å²	47.8	70%	0.698	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-53.1	-30.7	178.2	-171.1	180	-178.7	-173.2	-0.6	113.8	M71 E72 G141	R69-M71 PolarHBondContact O-N 3.49Å; R69-M71 VanDerWaalsContact O-N 3.1Å; R69-E72 WeakPolarHBondContact O-CB 3.42Å; R69-E72 PolarHBondContact O-N 2.92Å; R69-E72 VanDerWaalsContact O-N 3.1Å; R69-G141 PolarHBondContact N-O 2.8Å
70	S	92.5	Very high	93.3	Very high	24 Å²	24	48.3 Å²	48.3	17%	0.168	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-61.9	-17.9	178.3	69.7	0	0	0	0	113.6	S68 E72 D73 R80 S172 S173	S68-S70 PolarHBondContact O-N 3.32Å; S68-S70 PolarHBondContact OG-OG 3.45Å; S70-E72 VanDerWaalsContact C-N 3.26Å; S70-E72 PolarHBondContact O-N 3.5Å; S70-D73 PolarHBondContact O-N 3.05Å; S70-R80 PolarHBondContact O-NH1 2.9Å; S70-S172 WeakPolarHBondContact CB-OG 3.43Å; S70-S172 PolarHBondContact O-OG 3.36Å; S70-S172 WeakPolarHBondContact OG-CB 3.42Å; S70-S172 PolarHBondContact OG-OG 3.11Å; S70-S173 PolarHBondContact OG-N 2.91Å; S70-S173 VanDerWaalsContact OG-N 3.15Å
71	M	94.2	Very high	93.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-77	-10.2	177.3	-73.8	-67.3	-169.2	0	0	114.2	D66 S68 R69 D73 R80 L81 C139 S172 L201	D66-M71 HydrophobicContact CB-CE 3.79Å; D66-M71 WeakPolarHBondContact O-CE 3.3Å; D66-M71 VanDerWaalsContact O-CG 3.25Å; D66-M71 WeakPolarHBondContact O-CG 3.45Å; S68-M71 WeakPolarHBondContact O-CB 3.49Å; S68-M71 PolarHBondContact O-N 3.39Å; R69-M71 PolarHBondContact O-N 3.49Å; R69-M71 VanDerWaalsContact O-N 3.1Å; M71-D73 VanDerWaalsContact C-N 3.28Å; M71-R80 PolarHBondContact O-N 3.28Å; M71-R80 HydrophobicContact SD-CB 3.78Å; M71-L81 HydrophobicContact CB-CB 4.08Å; M71-L81 PolarHBondContact O-N 3.26Å; M71-L81 VanDerWaalsContact O-N 3.16Å; M71-C139 HydrophobicContact CB-CB 4.31Å; M71-S172 VanDerWaalsContact CE-CB 3.44Å; M71-S172 VanDerWaalsContact SD-CB 3.53Å; M71-L201 HydrophobicContact CE-CD1 3.69Å; M71-L201 HydrophobicContact SD-CD1 3.62Å
72	E	92.4	Very high	93.1	Very high	102 Å²	102	49.3 Å²	49.3	48%	0.477	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-77.6	-16	174.9	-60.4	-175.7	151.2	0	0	112.6	R69 S70 C139	R69-E72 WeakPolarHBondContact O-CB 3.42Å; R69-E72 PolarHBondContact O-N 2.92Å; R69-E72 VanDerWaalsContact O-N 3.1Å; S70-E72 VanDerWaalsContact C-N 3.26Å; S70-E72 PolarHBondContact O-N 3.5Å; E72-C139 HydrophobicContact CG-CB 3.71Å
73	D	91.2	Very high	92.9	Very high	74 Å²	74	49.5 Å²	49.5	40%	0.396	24%	0.242	S	C	.	.			trans	-59.3	148.3	177.9	-71.7	-14.5	0	0	0	111.5	S70 M71 N79 R80	S70-D73 PolarHBondContact O-N 3.05Å; M71-D73 VanDerWaalsContact C-N 3.28Å; D73-N79 WeakPolarHBondContact O-CA 3.41Å; D73-R80 HydrophobicContact CB-CG 4.46Å; D73-R80 VanDerWaalsContact CB-CZ 3.44Å; D73-R80 PolarHBondContact O-N 3.29Å; D73-R80 IonicContact OD2-CZ 3.53Å; D73-R80 IonicContact OD2-NH1 2.8Å; D73-R80 PolarHBondContact OD2-NH1 3.44Å; D73-R80 IonicContact OD2-NH2 3.85Å; D73-R80 PolarHBondContact OD2-NH2 3.45Å
74	Q	90.7	Very high	92.8	Very high	154 Å²	154	49.5 Å²	49.5	72%	0.72	24%	0.242	S	C	*	.	S	Bend	trans	-101.1	19.3	-173.2	-59.2	-172.8	-2.3	0	0	114	L76	Q74-L76 PolarHBondContact O-N 3.39Å
75	D	88.6	Confident	92.7	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	24%	0.242	S	C	*	.	S	Bend	trans	-58.5	-33.7	175.8	-67.5	8.2	0	0	0	111.9	R80	D75-R80 IonicContact OD1-NH2 3.85Å; D75-R80 IonicContact OD2-CZ 3.78Å; D75-R80 IonicContact OD2-NE 2.83Å; D75-R80 PolarHBondContact OD2-NE 2.99Å; D75-R80 IonicContact OD2-NH2 2.97Å; D75-R80 PolarHBondContact OD2-NH2 2.93Å
76	L	88.2	Confident	92.6	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	27%	0.273	C	S	.	.	S	Bend	trans	-111	138.9	166.8	-61.3	174.7	0	0	0	108.5	Q74 P78 N79 I222 E225 F228	Q74-L76 PolarHBondContact O-N 3.39Å; L76-P78 CarbonylContact O-C 3.53Å; L76-N79 CarbonylContact O-C 3.51Å; L76-N79 WeakPolarHBondContact O-CA 3.36Å; L76-N79 PolarHBondContact O-N 3.01Å; L76-N79 VanDerWaalsContact O-N 3.15Å; L76-I222 HydrophobicContact CD1-CD1 3.94Å; L76-I222 HydrophobicContact CG-CD1 4.47Å; L76-E225 HydrophobicContact CD2-CB 4.15Å; L76-F228 HydrophobicContact CD1-CD1 4.23Å
77	K	85.6	Confident	92.6	Very high	178 Å²	178	57.8 Å²	57.8	77%	0.774	28%	0.279	S	S	*	.	S	Bend	trans	-87.8	139.7	-175.9	-65.4	-173.1	178.9	-178.5	0	111.7
78	P	88.5	Confident	92.7	Very high	83 Å²	83	57.5 Å²	57.5	54%	0.539	28%	0.277	S	S	.	.	S	Bend	cis	-76.1	-29.6	-6.4	30.4	-34.5	0	0	0	113.9	L76 T82	L76-P78 CarbonylContact O-C 3.53Å; P78-T82 HydrophobicContact CG-CG2 3.9Å
79	N	92.1	Very high	92.8	Very high	46 Å²	46	59.2 Å²	59.2	25%	0.246	29%	0.285	C	S	.	.			trans	-144.8	167.5	168.9	61.7	28.3	0	0	0	108.9	D73 L76 L81 T82 S83	D73-N79 WeakPolarHBondContact O-CA 3.41Å; L76-N79 CarbonylContact O-C 3.51Å; L76-N79 WeakPolarHBondContact O-CA 3.36Å; L76-N79 PolarHBondContact O-N 3.01Å; L76-N79 VanDerWaalsContact O-N 3.15Å; N79-L81 VanDerWaalsContact C-N 3.31Å; N79-L81 PolarHBondContact O-N 3.41Å; N79-L81 PolarHBondContact OD1-N 3.3Å; N79-T82 WeakPolarHBondContact OD1-CB 3.4Å; N79-T82 PolarHBondContact OD1-N 2.6Å; N79-T82 PolarHBondContact OD1-OG1 3.09Å; N79-S83 WeakPolarHBondContact O-CB 3.45Å; N79-S83 PolarHBondContact O-N 3.2Å; N79-S83 VanDerWaalsContact O-N 3.12Å
80	R	93.9	Very high	92.9	Very high	13 Å²	13	51.8 Å²	51.8	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-39	179.5	-70.5	-174.8	-169.7	142.7	8.1	112.6	S70 M71 D73 D75 T84 S172 L201 S202	S70-R80 PolarHBondContact O-NH1 2.9Å; M71-R80 PolarHBondContact O-N 3.28Å; M71-R80 HydrophobicContact SD-CB 3.78Å; D73-R80 HydrophobicContact CB-CG 4.46Å; D73-R80 VanDerWaalsContact CB-CZ 3.44Å; D73-R80 PolarHBondContact O-N 3.29Å; D73-R80 IonicContact OD2-CZ 3.53Å; D73-R80 IonicContact OD2-NH1 2.8Å; D73-R80 PolarHBondContact OD2-NH1 3.44Å; D73-R80 IonicContact OD2-NH2 3.85Å; D73-R80 PolarHBondContact OD2-NH2 3.45Å; D75-R80 IonicContact OD1-NH2 3.85Å; D75-R80 IonicContact OD2-CZ 3.78Å; D75-R80 IonicContact OD2-NE 2.83Å; D75-R80 PolarHBondContact OD2-NE 2.99Å; D75-R80 IonicContact OD2-NH2 2.97Å; D75-R80 PolarHBondContact OD2-NH2 2.93Å; R80-T84 WeakPolarHBondContact O-CB 3.25Å; R80-T84 PolarHBondContact O-N 3.07Å; R80-T84 PolarHBondContact O-OG1 2.94Å; R80-S172 PolarHBondContact NH1-OG 3.39Å; R80-L201 HydrophobicContact CB-CD1 3.91Å; R80-L201 HydrophobicContact CG-CD1 4.19Å; R80-S202 VanDerWaalsContact CZ-OG 3.24Å; R80-S202 PolarHBondContact NH1-OG 3.48Å; R80-S202 PolarHBondContact NH2-OG 2.72Å
81	L	94.3	Very high	93.1	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-57.3	179.2	-177	66.4	0	0	0	111.9	M71 N79 S83 T84 L85 C139	M71-L81 HydrophobicContact CB-CB 4.08Å; M71-L81 PolarHBondContact O-N 3.26Å; M71-L81 VanDerWaalsContact O-N 3.16Å; N79-L81 VanDerWaalsContact C-N 3.31Å; N79-L81 PolarHBondContact O-N 3.41Å; N79-L81 PolarHBondContact OD1-N 3.3Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.09Å; L81-T84 WeakPolarHBondContact O-CB 3.43Å; L81-T84 PolarHBondContact O-N 2.95Å; L81-T84 VanDerWaalsContact O-N 3.16Å; L81-L85 HydrophobicContact CD1-CD1 3.89Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CD2-CD1 4.2Å; L81-L85 HydrophobicContact CG-CD1 3.77Å; L81-L85 HydrophobicContact CG-CG 4.22Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 2.89Å; L81-C139 VanDerWaalsContact CD2-SG 3.5Å
82	T	93.8	Very high	93.2	Very high	37 Å²	37	50.7 Å²	50.7	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-41.3	-175.6	-58.5	0	0	0	0	110.8	P78 N79 K86 V135	P78-T82 HydrophobicContact CG-CG2 3.9Å; N79-T82 WeakPolarHBondContact OD1-CB 3.4Å; N79-T82 PolarHBondContact OD1-N 2.6Å; N79-T82 PolarHBondContact OD1-OG1 3.09Å; T82-K86 VanDerWaalsContact O-CB 3.28Å; T82-K86 WeakPolarHBondContact O-CB 3.46Å; T82-K86 PolarHBondContact O-N 3.35Å; T82-V135 HydrophobicContact CG2-CG1 4.42Å
83	S	93.9	Very high	93.3	Very high	4 Å²	4	50 Å²	50	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-46.7	174.6	-177.3	0	0	0	0	111.3	N79 L81 K86 L87	N79-S83 WeakPolarHBondContact O-CB 3.45Å; N79-S83 PolarHBondContact O-N 3.2Å; N79-S83 VanDerWaalsContact O-N 3.12Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.09Å; S83-K86 PolarHBondContact O-N 3.43Å; S83-L87 WeakPolarHBondContact O-CG 3.31Å; S83-L87 PolarHBondContact O-N 3.37Å
84	T	95.8	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-49.7	177.2	-62.5	0	0	0	0	112.1	I65 R80 L81 K86 L87 M88 I170 F228	I65-T84 HydrophobicContact CG2-CG2 4.31Å; R80-T84 WeakPolarHBondContact O-CB 3.25Å; R80-T84 PolarHBondContact O-N 3.07Å; R80-T84 PolarHBondContact O-OG1 2.94Å; L81-T84 WeakPolarHBondContact O-CB 3.43Å; L81-T84 PolarHBondContact O-N 2.95Å; L81-T84 VanDerWaalsContact O-N 3.16Å; T84-K86 VanDerWaalsContact C-N 3.34Å; T84-K86 PolarHBondContact O-N 3.11Å; T84-L87 PolarHBondContact O-N 3.37Å; T84-M88 HydrophobicContact CG2-CG 4.33Å; T84-M88 WeakPolarHBondContact O-CB 3.39Å; T84-M88 VanDerWaalsContact O-CG 3.25Å; T84-M88 WeakPolarHBondContact O-CG 3.36Å; T84-M88 PolarHBondContact O-N 3Å; T84-I170 HydrophobicContact CG2-CD1 3.97Å; T84-I170 HydrophobicContact CG2-CG2 3.85Å; T84-F228 HydrophobicContact CG2-CE1 4.34Å; T84-F228 HydrophobicContact CG2-CZ 4.15Å
85	L	95.7	Very high	93.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-41.1	-179	-67.7	176.6	0	0	0	111.6	I65 L81 M88 E89 L131 A134 V135	I65-L85 HydrophobicContact CD1-CD2 3.95Å; L81-L85 HydrophobicContact CD1-CD1 3.89Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CD2-CD1 4.2Å; L81-L85 HydrophobicContact CG-CD1 3.77Å; L81-L85 HydrophobicContact CG-CG 4.22Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 2.89Å; L85-M88 WeakPolarHBondContact O-CB 3.25Å; L85-M88 PolarHBondContact O-N 2.85Å; L85-E89 WeakPolarHBondContact O-CG 3.42Å; L85-E89 PolarHBondContact O-N 3.16Å; L85-L131 HydrophobicContact CD2-CD2 3.63Å; L85-A134 HydrophobicContact CD1-CB 4.15Å; L85-A134 HydrophobicContact CD2-CB 4.47Å; L85-V135 HydrophobicContact CB-CG2 4.29Å; L85-V135 HydrophobicContact CD1-CB 4.26Å; L85-V135 HydrophobicContact CD1-CG2 3.68Å
86	K	95.4	Very high	94	Very high	149 Å²	149	38.3 Å²	38.3	65%	0.648	20%	0.196	S	C	*	.	H	α-helix	trans	-63.8	-44	176.9	-174.5	-179.8	-179.8	-174.2	0	112.3	T82 S83 T84 M88 E89 G90	T82-K86 VanDerWaalsContact O-CB 3.28Å; T82-K86 WeakPolarHBondContact O-CB 3.46Å; T82-K86 PolarHBondContact O-N 3.35Å; S83-K86 PolarHBondContact O-N 3.43Å; T84-K86 VanDerWaalsContact C-N 3.34Å; T84-K86 PolarHBondContact O-N 3.11Å; K86-M88 VanDerWaalsContact C-N 3.28Å; K86-M88 PolarHBondContact O-N 2.91Å; K86-E89 PolarHBondContact O-N 3.09Å; K86-G90 PolarHBondContact O-N 2.87Å
87	L	95.8	Very high	94.2	Very high	24 Å²	24	44.1 Å²	44.1	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-34.2	175	-70.8	173.8	0	0	0	111.6	S83 T84 G90 F91 E225 F228 K229 L232	S83-L87 WeakPolarHBondContact O-CG 3.31Å; S83-L87 PolarHBondContact O-N 3.37Å; T84-L87 PolarHBondContact O-N 3.37Å; L87-G90 PolarHBondContact O-N 2.8Å; L87-F91 PolarHBondContact O-N 3.46Å; L87-E225 HydrophobicContact CD1-CG 4.11Å; L87-F228 HydrophobicContact CD1-CB 4.25Å; L87-F228 HydrophobicContact CD1-CD1 3.26Å; L87-F228 HydrophobicContact CD1-CE1 3.73Å; L87-F228 HydrophobicContact CD1-CG 3.9Å; L87-K229 HydrophobicContact CD2-CB 4.23Å; L87-K229 HydrophobicContact CD2-CG 4.48Å; L87-L232 HydrophobicContact CB-CD1 3.74Å
88	M	96.4	Very high	94.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-34.2	175.1	-78.8	-51.9	-47.3	0	0	113.5	V63 I65 T84 L85 K86 F91 I92 L131 I170 L232	V63-M88 HydrophobicContact CG1-CE 3.91Å; V63-M88 HydrophobicContact CG1-SD 4.38Å; V63-M88 HydrophobicContact CG2-CE 4.15Å; I65-M88 HydrophobicContact CD1-CG 4.35Å; T84-M88 HydrophobicContact CG2-CG 4.33Å; T84-M88 WeakPolarHBondContact O-CB 3.39Å; T84-M88 VanDerWaalsContact O-CG 3.25Å; T84-M88 WeakPolarHBondContact O-CG 3.36Å; T84-M88 PolarHBondContact O-N 3Å; L85-M88 WeakPolarHBondContact O-CB 3.25Å; L85-M88 PolarHBondContact O-N 2.85Å; K86-M88 VanDerWaalsContact C-N 3.28Å; K86-M88 PolarHBondContact O-N 2.91Å; M88-F91 HydrophobicContact CE-CB 4.1Å; M88-F91 HydrophobicContact CE-CD1 3.26Å; M88-F91 HydrophobicContact CE-CE1 3.94Å; M88-F91 HydrophobicContact CE-CG 3.93Å; M88-F91 PolarHBondContact O-N 3.17Å; M88-F91 HydrophobicContact SD-CB 4.31Å; M88-F91 HydrophobicContact SD-CD1 4.25Å; M88-F91 HydrophobicContact SD-CG 4.39Å; M88-I92 HydrophobicContact CE-CG1 4.39Å; M88-I92 VanDerWaalsContact O-CG1 3.29Å; M88-I92 WeakPolarHBondContact O-CG1 3.32Å; M88-I92 PolarHBondContact O-N 3.21Å; M88-L131 HydrophobicContact CB-CD1 3.9Å; M88-I170 HydrophobicContact CG-CD1 3.79Å; M88-I170 HydrophobicContact SD-CD1 3.44Å; M88-I170 WeakPolarHBondContact SD-CD1 3.34Å; M88-L232 HydrophobicContact SD-CD1 4.36Å; M88-L232 HydrophobicContact SD-CD2 3.75Å
89	E	96.1	Very high	94.5	Very high	38 Å²	38	37.4 Å²	37.4	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-49.7	171.1	-70.8	179.2	-152.5	0	0	110.7	L85 K86 F91 I92 D93 I128 L131 K132	L85-E89 WeakPolarHBondContact O-CG 3.42Å; L85-E89 PolarHBondContact O-N 3.16Å; K86-E89 PolarHBondContact O-N 3.09Å; E89-F91 PolarHBondContact O-N 3.28Å; E89-I92 PolarHBondContact O-N 2.8Å; E89-D93 PolarHBondContact O-N 2.92Å; E89-I128 HydrophobicContact CG-CG2 4.17Å; E89-L131 HydrophobicContact CG-CB 4.2Å; E89-L131 HydrophobicContact CG-CD1 4Å; E89-K132 WeakPolarHBondContact OE1-CG 3.5Å; E89-K132 WeakPolarHBondContact OE2-CE 3.37Å; E89-K132 IonicContact OE2-NZ 3.19Å
90	G	95.1	Very high	94.3	Very high	29 Å²	29	40 Å²	40	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-39.6	176.6	0	0	0	0	0	113.1	K86 L87 I92 D93 E94	K86-G90 PolarHBondContact O-N 2.87Å; L87-G90 PolarHBondContact O-N 2.8Å; G90-I92 VanDerWaalsContact C-N 3.32Å; G90-I92 PolarHBondContact O-N 3.4Å; G90-D93 PolarHBondContact O-N 2.83Å; G90-E94 WeakPolarHBondContact O-CG 3.47Å; G90-E94 PolarHBondContact O-N 3.3Å
91	F	96.7	Very high	94.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-42.2	173.8	169.8	-93.2	0	0	0	112	L61 V63 L87 M88 E89 E94 Y95 L168 L232 H235 V236	L61-F91 HydrophobicContact CD2-CE1 3.94Å; L61-F91 HydrophobicContact CD2-CZ 3.78Å; V63-F91 HydrophobicContact CG2-CE1 4.46Å; L87-F91 PolarHBondContact O-N 3.46Å; M88-F91 HydrophobicContact CE-CB 4.1Å; M88-F91 HydrophobicContact CE-CD1 3.26Å; M88-F91 HydrophobicContact CE-CE1 3.94Å; M88-F91 HydrophobicContact CE-CG 3.93Å; M88-F91 PolarHBondContact O-N 3.17Å; M88-F91 HydrophobicContact SD-CB 4.31Å; M88-F91 HydrophobicContact SD-CD1 4.25Å; M88-F91 HydrophobicContact SD-CG 4.39Å; E89-F91 PolarHBondContact O-N 3.28Å; F91-E94 PolarHBondContact O-N 3.24Å; F91-Y95 HydrophobicContact CE1-CD2 4.16Å; F91-Y95 HydrophobicContact CE1-CG 4.33Å; F91-Y95 HydrophobicContact CE2-CD2 4.27Å; F91-Y95 AromaticContact CZ-CD2 3.66Å; F91-Y95 HydrophobicContact CZ-CD2 3.66Å; F91-Y95 HydrophobicContact CZ-CE2 4.35Å; F91-Y95 HydrophobicContact CZ-CG 4.26Å; F91-Y95 WeakPolarHBondContact O-CA 3.49Å; F91-Y95 WeakPolarHBondContact O-CB 3.45Å; F91-Y95 PolarHBondContact O-N 3.42Å; F91-L168 HydrophobicContact CZ-CD2 4.39Å; F91-L232 HydrophobicContact CB-CB 4.46Å; F91-L232 HydrophobicContact CB-CD1 4.42Å; F91-L232 HydrophobicContact CD2-CB 3.96Å; F91-L232 HydrophobicContact CD2-CD2 4.34Å; F91-L232 WeakPolarHBondContact CD2-O 3.48Å; F91-L232 VanDerWaalsContact CE2-O 3.32Å; F91-L232 WeakPolarHBondContact CE2-O 3.38Å; F91-L232 HydrophobicContact CG-CD2 4.5Å; F91-H235 HydrophobicContact CE2-CB 4.31Å; F91-V236 HydrophobicContact CD2-CG2 3.57Å; F91-V236 HydrophobicContact CE2-CG2 3.53Å
92	I	96.4	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-44.1	-178.8	-72.7	177.2	0	0	0	110.9	M88 E89 G90 Y95 F96 I106 P124 H127 I128 L131	M88-I92 HydrophobicContact CE-CG1 4.39Å; M88-I92 VanDerWaalsContact O-CG1 3.29Å; M88-I92 WeakPolarHBondContact O-CG1 3.32Å; M88-I92 PolarHBondContact O-N 3.21Å; E89-I92 PolarHBondContact O-N 2.8Å; G90-I92 VanDerWaalsContact C-N 3.32Å; G90-I92 PolarHBondContact O-N 3.4Å; I92-Y95 PolarHBondContact O-N 2.91Å; I92-F96 HydrophobicContact CG2-CD2 3.75Å; I92-F96 HydrophobicContact CG2-CE2 3.86Å; I92-F96 VanDerWaalsContact O-CD2 3.29Å; I92-F96 WeakPolarHBondContact O-CD2 3.42Å; I92-F96 PolarHBondContact O-N 3.19Å; I92-I106 HydrophobicContact CD1-CD1 3.86Å; I92-P124 HydrophobicContact CG2-CB 4.05Å; I92-H127 HydrophobicContact CD1-CB 3.73Å; I92-H127 HydrophobicContact CG2-CB 4.29Å; I92-I128 HydrophobicContact CG2-CD1 4.38Å; I92-I128 HydrophobicContact CG2-CG1 4.14Å; I92-L131 HydrophobicContact CD1-CD1 3.52Å; I92-L131 HydrophobicContact CD1-CG 4.45Å
93	D	95.1	Very high	94.2	Very high	89 Å²	89	44.4 Å²	44.4	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-51.1	176.1	-78.6	-32.6	0	0	0	111	E89 G90 Y95 F96 D97 I128	E89-D93 PolarHBondContact O-N 2.92Å; G90-D93 PolarHBondContact O-N 2.83Å; D93-Y95 VanDerWaalsContact C-N 3.32Å; D93-Y95 PolarHBondContact O-N 3.25Å; D93-F96 PolarHBondContact O-N 3.44Å; D93-D97 WeakPolarHBondContact O-CB 3.34Å; D93-D97 PolarHBondContact O-N 2.99Å; D93-I128 WeakPolarHBondContact OD1-CD1 2.96Å
94	E	94.4	Very high	94.4	Very high	73 Å²	73	44.2 Å²	44.2	34%	0.341	23%	0.23	S	C	.	.	H	α-helix	trans	-66.1	-32.8	179	-68.1	-174.1	-141.5	0	0	112.6	G90 F91 Q98 M233 V236	G90-E94 WeakPolarHBondContact O-CG 3.47Å; G90-E94 PolarHBondContact O-N 3.3Å; F91-E94 PolarHBondContact O-N 3.24Å; E94-Q98 PolarHBondContact O-N 3.14Å; E94-Q98 VanDerWaalsContact O-N 3.15Å; E94-M233 HydrophobicContact CB-CE 4.32Å; E94-M233 HydrophobicContact CB-SD 4.2Å; E94-M233 VanDerWaalsContact CD-SD 3.59Å; E94-M233 HydrophobicContact CG-CE 4.24Å; E94-M233 HydrophobicContact CG-SD 4.48Å; E94-M233 WeakPolarHBondContact OE1-CE 3.29Å; E94-M233 VanDerWaalsContact OE2-CE 3.29Å; E94-M233 WeakPolarHBondContact OE2-CE 3.11Å; E94-V236 HydrophobicContact CB-CG2 4.48Å
95	Y	95.3	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-48.5	177.3	-177.1	-89.4	0	0	0	111.7	R59 L61 F91 I92 D93 N99 V104	R59-Y95 WeakPolarHBondContact CB-OH 3.5Å; L61-Y95 HydrophobicContact CD2-CD2 4.2Å; L61-Y95 HydrophobicContact CD2-CE2 3.66Å; F91-Y95 HydrophobicContact CE1-CD2 4.16Å; F91-Y95 HydrophobicContact CE1-CG 4.33Å; F91-Y95 HydrophobicContact CE2-CD2 4.27Å; F91-Y95 AromaticContact CZ-CD2 3.66Å; F91-Y95 HydrophobicContact CZ-CD2 3.66Å; F91-Y95 HydrophobicContact CZ-CE2 4.35Å; F91-Y95 HydrophobicContact CZ-CG 4.26Å; F91-Y95 WeakPolarHBondContact O-CA 3.49Å; F91-Y95 WeakPolarHBondContact O-CB 3.45Å; F91-Y95 PolarHBondContact O-N 3.42Å; I92-Y95 PolarHBondContact O-N 2.91Å; D93-Y95 VanDerWaalsContact C-N 3.32Å; D93-Y95 PolarHBondContact O-N 3.25Å; Y95-N99 HydrophobicContact CE1-CB 4.31Å; Y95-N99 WeakPolarHBondContact O-CA 3.24Å; Y95-N99 WeakPolarHBondContact O-CB 3.29Å; Y95-N99 PolarHBondContact O-N 3.41Å; Y95-N99 PolarHBondContact O-ND2 3.33Å; Y95-V104 HydrophobicContact CD1-CG2 3.54Å; Y95-V104 HydrophobicContact CE1-CG2 3.38Å; Y95-V104 HydrophobicContact CG-CG2 4.44Å
96	F	94.6	Very high	94.5	Very high	22 Å²	22	44.1 Å²	44.1	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-73	-28.2	179.7	-80.4	-68.4	0	0	0	112.8	I92 D93 N99 P100 S102 V104 P124 H127	I92-F96 HydrophobicContact CG2-CD2 3.75Å; I92-F96 HydrophobicContact CG2-CE2 3.86Å; I92-F96 VanDerWaalsContact O-CD2 3.29Å; I92-F96 WeakPolarHBondContact O-CD2 3.42Å; I92-F96 PolarHBondContact O-N 3.19Å; D93-F96 PolarHBondContact O-N 3.44Å; F96-N99 CarbonylContact O-C 3.56Å; F96-P100 WeakPolarHBondContact O-CA 3.32Å; F96-S102 WeakPolarHBondContact CE1-O 3.28Å; F96-V104 HydrophobicContact CE1-CG2 4.48Å; F96-V104 HydrophobicContact CE2-CB 4.15Å; F96-V104 HydrophobicContact CE2-CG2 3.86Å; F96-V104 HydrophobicContact CZ-CB 3.95Å; F96-V104 HydrophobicContact CZ-CG2 3.7Å; F96-P124 HydrophobicContact CD2-CB 3.69Å; F96-P124 HydrophobicContact CD2-CG 4.3Å; F96-P124 HydrophobicContact CE2-CB 4.22Å; F96-P124 HydrophobicContact CG-CB 4.28Å; F96-P124 HydrophobicContact CG-CG 4.44Å; F96-H127 AromaticContact CE2-CD2 3.98Å
97	D	93.1	Very high	94.6	Very high	135 Å²	135	37 Å²	37	72%	0.722	20%	0.199	S	C	*	.	H	α-helix	trans	-64.1	-45.4	173	-168.4	43.7	0	0	0	111.6	D93	D93-D97 WeakPolarHBondContact O-CB 3.34Å; D93-D97 PolarHBondContact O-N 2.99Å
98	Q	88.6	Confident	94.7	Very high	114 Å²	114	36.5 Å²	36.5	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-83.5	-23.2	177.8	-63.3	-163.6	13.5	0	0	114.3	E94 V236	E94-Q98 PolarHBondContact O-N 3.14Å; E94-Q98 VanDerWaalsContact O-N 3.15Å; Q98-V236 HydrophobicContact CB-CG1 4Å; Q98-V236 HydrophobicContact CG-CG1 4.09Å
99	N	91.1	Very high	94.6	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	20%	0.197	C	C	.	.			trans	-129.4	66	-173.7	-51.1	-96.1	0	0	0	111.9	R59 Y95 F96 I101 S102 V236 P238	R59-N99 PolarHBondContact NH1-OD1 3.1Å; Y95-N99 HydrophobicContact CE1-CB 4.31Å; Y95-N99 WeakPolarHBondContact O-CA 3.24Å; Y95-N99 WeakPolarHBondContact O-CB 3.29Å; Y95-N99 PolarHBondContact O-N 3.41Å; Y95-N99 PolarHBondContact O-ND2 3.33Å; F96-N99 CarbonylContact O-C 3.56Å; N99-I101 VanDerWaalsContact C-N 3.27Å; N99-I101 PolarHBondContact O-N 3.46Å; N99-I101 VanDerWaalsContact O-N 3.15Å; N99-S102 WeakPolarHBondContact O-CB 3.37Å; N99-S102 PolarHBondContact O-N 2.86Å; N99-S102 VanDerWaalsContact O-N 3.08Å; N99-V236 PolarHBondContact ND2-O 3.31Å; N99-P238 WeakPolarHBondContact OD1-CG 3.37Å
100	P	89.7	Confident	94.5	Very high	101 Å²	101	37 Å²	37	66%	0.656	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.6	-170	24.5	-35.6	0	0	0	115	F96	F96-P100 WeakPolarHBondContact O-CA 3.32Å
101	I	90.5	Very high	94.5	Very high	77 Å²	77	39.8 Å²	39.8	40%	0.395	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.4	179.9	62.8	-179.3	0	0	0	113.3	M57 M58 N99	M57-I101 HydrophobicContact CB-CD1 4.4Å; M58-I101 HydrophobicContact CG-CD1 3.55Å; M58-I101 HydrophobicContact CG-CG1 3.95Å; N99-I101 VanDerWaalsContact C-N 3.27Å; N99-I101 PolarHBondContact O-N 3.46Å; N99-I101 VanDerWaalsContact O-N 3.15Å
102	S	93.6	Very high	94.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.228	C	C	.	.			trans	-86	164.6	-179.3	-66.8	0	0	0	0	111.4	R59 F96 N99	R59-S102 WeakPolarHBondContact CB-OG 3.43Å; R59-S102 PolarHBondContact N-OG 2.82Å; R59-S102 CarbonylContact O-C 3.54Å; R59-S102 VanDerWaalsContact O-CA 3.29Å; R59-S102 WeakPolarHBondContact O-CA 3.49Å; R59-S102 VanDerWaalsContact O-CB 3.24Å; R59-S102 WeakPolarHBondContact O-CB 3.39Å; F96-S102 WeakPolarHBondContact CE1-O 3.28Å; N99-S102 WeakPolarHBondContact O-CB 3.37Å; N99-S102 PolarHBondContact O-N 2.86Å; N99-S102 VanDerWaalsContact O-N 3.08Å
103	Q	95.1	Very high	94.2	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.6	176.9	-61.4	175.6	-17.8	0	0	109.9	R59 H60 L61 L120 A121	R59-Q103 PolarHBondContact O-N 3.44Å; H60-Q103 PolarHBondContact CE1-OE1 2.93Å; H60-Q103 VanDerWaalsContact CE1-OE1 3.3Å; H60-Q103 PolarHBondContact ND1-OE1 2.87Å; H60-Q103 VanDerWaalsContact ND1-OE1 3.08Å; L61-Q103 PolarHBondContact N-O 3.41Å; Q103-L120 HydrophobicContact CB-CD1 3.78Å; Q103-L120 HydrophobicContact CB-CG 3.8Å; Q103-A121 WeakPolarHBondContact CA-O 3.48Å
104	V	97.1	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.4	178.2	-179	0	0	0	0	109.7	L61 V63 Y95 F96 I106 L120 A121 H127	L61-V104 CarbonylContact O-C 3.55Å; L61-V104 VanDerWaalsContact O-CA 3.27Å; L61-V104 WeakPolarHBondContact O-CA 3.13Å; V63-V104 HydrophobicContact CG2-CG1 4.22Å; Y95-V104 HydrophobicContact CD1-CG2 3.54Å; Y95-V104 HydrophobicContact CE1-CG2 3.38Å; Y95-V104 HydrophobicContact CG-CG2 4.44Å; F96-V104 HydrophobicContact CE1-CG2 4.48Å; F96-V104 HydrophobicContact CE2-CB 4.15Å; F96-V104 HydrophobicContact CE2-CG2 3.86Å; F96-V104 HydrophobicContact CZ-CB 3.95Å; F96-V104 HydrophobicContact CZ-CG2 3.7Å; V104-I106 HydrophobicContact CG1-CG1 4.47Å; V104-L120 WeakPolarHBondContact O-CA 3.41Å; V104-A121 PolarHBondContact N-O 3.04Å; V104-A121 PolarHBondContact O-N 3.48Å; V104-H127 PolarHBondContact O-CE1 3.13Å; V104-H127 PolarHBondContact O-NE2 3.12Å
105	G	97.4	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.5	168.7	0	0	0	0	0	109.5	L61 Y62 V63	L61-G105 PolarHBondContact O-N 2.84Å; Y62-G105 CarbonylContact C-O 3.55Å; Y62-G105 WeakPolarHBondContact CA-O 3.44Å; V63-G105 PolarHBondContact N-O 2.62Å
106	I	97.8	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.9	-178.4	-56.8	168	0	0	0	108.4	V63 I65 I92 V104 L117 T118 H127 L131	V63-I106 WeakPolarHBondContact O-CA 3.14Å; I65-I106 HydrophobicContact CD1-CG2 4.06Å; I65-I106 HydrophobicContact CG1-CG2 4.49Å; I92-I106 HydrophobicContact CD1-CD1 3.86Å; V104-I106 HydrophobicContact CG1-CG1 4.47Å; I106-L117 HydrophobicContact CB-CB 4.31Å; I106-L117 HydrophobicContact CG2-CB 4.11Å; I106-L117 HydrophobicContact CG2-CD2 3.96Å; I106-L117 PolarHBondContact O-N 2.95Å; I106-T118 WeakPolarHBondContact CB-OG1 3.26Å; I106-T118 PolarHBondContact N-O 3.25Å; I106-T118 VanDerWaalsContact N-O 3.12Å; I106-T118 PolarHBondContact N-OG1 2.98Å; I106-T118 PolarHBondContact O-N 2.84Å; I106-T118 VanDerWaalsContact O-N 3.09Å; I106-H127 HydrophobicContact CD1-CB 3.86Å; I106-L131 HydrophobicContact CD1-CD1 4.41Å; I106-L131 HydrophobicContact CD1-CD2 3.96Å; I106-L131 HydrophobicContact CD1-CG 4Å; I106-L131 HydrophobicContact CG2-CD2 4.48Å
107	I	97.8	Very high	94.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.2	175.5	-64	169.2	0	0	0	107.1	Y62 V63 V64 I65 A114 E115 K116 L151 A152	Y62-I107 HydrophobicContact CD1-CD1 3.57Å; Y62-I107 HydrophobicContact CD1-CG1 3.89Å; Y62-I107 HydrophobicContact CE1-CD1 3.93Å; Y62-I107 HydrophobicContact CE1-CG1 4.17Å; Y62-I107 HydrophobicContact CG-CD1 4.28Å; V63-I107 PolarHBondContact O-N 3.21Å; V64-I107 CarbonylContact C-O 3.12Å; V64-I107 VanDerWaalsContact CA-O 3.28Å; V64-I107 WeakPolarHBondContact CA-O 3.43Å; V64-I107 HydrophobicContact CG2-CB 4.29Å; I65-I107 PolarHBondContact N-O 3.06Å; I107-A114 HydrophobicContact CG2-CB 4.07Å; I107-E115 CarbonylContact C-O 3.59Å; I107-E115 WeakPolarHBondContact CA-O 3.49Å; I107-K116 HydrophobicContact CG1-CG 4.23Å; I107-L151 HydrophobicContact CD1-CB 4.3Å; I107-L151 HydrophobicContact CD1-CD2 4.23Å; I107-L151 HydrophobicContact CD1-CG 4.24Å; I107-L151 HydrophobicContact CG1-CD2 4.27Å; I107-L151 HydrophobicContact CG2-CD2 4.21Å; I107-A152 HydrophobicContact CD1-CB 3.96Å
108	T	96.3	Very high	94.4	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	148.4	169.2	54.7	0	0	0	0	109.4	I65 A114 E115 L117	I65-T108 CarbonylContact O-C 3.59Å; I65-T108 VanDerWaalsContact O-CA 3.31Å; I65-T108 WeakPolarHBondContact O-CA 3.44Å; T108-A114 WeakPolarHBondContact O-CA 3.45Å; T108-E115 PolarHBondContact N-O 3.28Å; T108-E115 PolarHBondContact O-N 3Å; T108-E115 PolarHBondContact OG1-O 3.3Å; T108-L117 HydrophobicContact CG2-CB 4.31Å; T108-L117 HydrophobicContact CG2-CD2 4.26Å
109	T	95.6	Very high	94.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.9	174.6	-166.8	0	0	0	0	109.7	V64 I65 D66 C67 R113 P143 S144 S148	V64-T109 HydrophobicContact CG1-CG2 4.31Å; I65-T109 PolarHBondContact O-N 3.1Å; D66-T109 HydrophobicContact CB-CG2 4.21Å; C67-T109 WeakPolarHBondContact CA-O 3.21Å; C67-T109 PolarHBondContact N-O 3.32Å; T109-R113 WeakPolarHBondContact CA-O 3.32Å; T109-R113 PolarHBondContact OG1-O 3.17Å; T109-P143 HydrophobicContact CG2-CB 3.58Å; T109-S144 PolarHBondContact OG1-N 3.24Å; T109-S144 PolarHBondContact OG1-O 3.23Å; T109-S144 VanDerWaalsContact OG1-O 3.09Å; T109-S148 WeakPolarHBondContact CB-OG 3.36Å; T109-S148 PolarHBondContact OG1-OG 3.48Å
110	K	93.9	Very high	94.9	Very high	49 Å²	49	49.4 Å²	49.4	21%	0.213	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151	-179	66.2	-179.6	179.3	-170.8	0	109.5	C67 K112 R113 E115	C67-K110 HydrophobicContact CB-CB 4.07Å; K110-K112 PolarHBondContact O-N 3.02Å; K110-K112 VanDerWaalsContact O-N 3.11Å; K110-R113 PolarHBondContact N-O 3.2Å; K110-R113 PolarHBondContact O-N 2.87Å; K110-E115 VanDerWaalsContact CE-CD 3.47Å; K110-E115 WeakPolarHBondContact CE-OE1 3.04Å; K110-E115 WeakPolarHBondContact CE-OE2 3.4Å; K110-E115 IonicContact NZ-OE1 2.98Å; K110-E115 IonicContact NZ-OE2 3.96Å; K110-E115 PolarHBondContact NZ-OE2 2.76Å
111	N	93.9	Very high	95.2	Very high	87 Å²	87	45.7 Å²	45.7	47%	0.465	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	45.1	177.4	-165.3	24.6	0	0	0	114.1	R113 V140 E142	N111-R113 PolarHBondContact O-N 2.9Å; N111-V140 PolarHBondContact N-O 3.29Å; N111-E142 PolarHBondContact N-O 2.81Å
112	K	94.6	Very high	95.3	Very high	106 Å²	106	44 Å²	44	46%	0.461	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	17.8	179	-55.5	169.6	-72.4	-169	0	114.3	K110 E142 S144 N147 C177	K110-K112 PolarHBondContact O-N 3.02Å; K110-K112 VanDerWaalsContact O-N 3.11Å; K112-E142 WeakPolarHBondContact CA-O 3.35Å; K112-E142 HydrophobicContact CG-CB 4.32Å; K112-E142 PolarHBondContact N-O 2.89Å; K112-S144 WeakPolarHBondContact O-CB 3.34Å; K112-N147 PolarHBondContact O-ND2 3.42Å; K112-C177 HydrophobicContact CD-CB 4.07Å; K112-C177 HydrophobicContact CG-CB 3.9Å
113	R	93.9	Very high	95.3	Very high	174 Å²	174	47.7 Å²	47.7	66%	0.657	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	154.7	179.5	-67.4	-179.2	179.5	-109.3	-0.5	110.3	T109 K110 N111	T109-R113 WeakPolarHBondContact CA-O 3.32Å; T109-R113 PolarHBondContact OG1-O 3.17Å; K110-R113 PolarHBondContact N-O 3.2Å; K110-R113 PolarHBondContact O-N 2.87Å; N111-R113 PolarHBondContact O-N 2.9Å
114	A	95.6	Very high	95.3	Very high	23 Å²	23	46.3 Å²	46.3	19%	0.19	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.7	172.4	0	0	0	0	0	109.9	I107 T108 N147 S148 L151	I107-A114 HydrophobicContact CG2-CB 4.07Å; T108-A114 WeakPolarHBondContact O-CA 3.45Å; A114-N147 VanDerWaalsContact CB-C 3.48Å; A114-N147 HydrophobicContact CB-CB 3.8Å; A114-S148 VanDerWaalsContact CB-CA 3.48Å; A114-S148 WeakPolarHBondContact CB-OG 3.3Å; A114-L151 HydrophobicContact CB-CD2 4.31Å
115	E	94.4	Very high	95.2	Very high	88 Å²	88	54.3 Å²	54.3	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.6	178.1	-70.1	175	-172.6	0	0	108.7	I107 T108 K110 L117	I107-E115 CarbonylContact C-O 3.59Å; I107-E115 WeakPolarHBondContact CA-O 3.49Å; T108-E115 PolarHBondContact N-O 3.28Å; T108-E115 PolarHBondContact O-N 3Å; T108-E115 PolarHBondContact OG1-O 3.3Å; K110-E115 VanDerWaalsContact CE-CD 3.47Å; K110-E115 WeakPolarHBondContact CE-OE1 3.04Å; K110-E115 WeakPolarHBondContact CE-OE2 3.4Å; K110-E115 IonicContact NZ-OE1 2.98Å; K110-E115 IonicContact NZ-OE2 3.96Å; K110-E115 PolarHBondContact NZ-OE2 2.76Å; E115-L117 PolarHBondContact O-N 3.08Å
116	K	95	Very high	95.2	Very high	60 Å²	60	59.7 Å²	59.7	26%	0.261	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	108.2	174.8	-161.1	-173.9	-63.1	171.2	0	108.7	I107 E119 L151	I107-K116 HydrophobicContact CG1-CG 4.23Å; K116-E119 HydrophobicContact CD-CG 4.21Å; K116-E119 VanDerWaalsContact CD-OE1 3.27Å; K116-E119 WeakPolarHBondContact CD-OE1 3.45Å; K116-E119 WeakPolarHBondContact CD-OE2 3.46Å; K116-E119 WeakPolarHBondContact CE-OE2 3.39Å; K116-E119 IonicContact NZ-OE1 3.86Å; K116-E119 PolarHBondContact NZ-OE1 3.39Å; K116-E119 IonicContact NZ-OE2 3.4Å; K116-E119 PolarHBondContact NZ-OE2 3.38Å; K116-L151 HydrophobicContact CB-CD2 4Å
117	L	94.6	Very high	95.1	Very high	59 Å²	59	59.7 Å²	59.7	31%	0.309	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-42.7	178.2	-174.2	66.4	0	0	0	110.9	I106 T108 E115 A130 A134	I106-L117 HydrophobicContact CB-CB 4.31Å; I106-L117 HydrophobicContact CG2-CB 4.11Å; I106-L117 HydrophobicContact CG2-CD2 3.96Å; I106-L117 PolarHBondContact O-N 2.95Å; T108-L117 HydrophobicContact CG2-CB 4.31Å; T108-L117 HydrophobicContact CG2-CD2 4.26Å; E115-L117 PolarHBondContact O-N 3.08Å; L117-A130 HydrophobicContact CD1-CB 4.5Å; L117-A130 HydrophobicContact CD2-CB 4.16Å; L117-A130 HydrophobicContact CG-CB 3.98Å; L117-A134 HydrophobicContact CD2-CB 4.05Å
118	T	96.4	Very high	95	Very high	6 Å²	6	60.8 Å²	60.8	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137	173.7	60.1	0	0	0	0	111.6	I106 H127 A130	I106-T118 WeakPolarHBondContact CB-OG1 3.26Å; I106-T118 PolarHBondContact N-O 3.25Å; I106-T118 VanDerWaalsContact N-O 3.12Å; I106-T118 PolarHBondContact N-OG1 2.98Å; I106-T118 PolarHBondContact O-N 2.84Å; I106-T118 VanDerWaalsContact O-N 3.09Å; T118-H127 WeakPolarHBondContact CB-ND1 3.41Å; T118-H127 PolarHBondContact OG1-CE1 3.15Å; T118-H127 PolarHBondContact OG1-ND1 3.08Å; T118-A130 HydrophobicContact CG2-CB 3.34Å
119	E	95.4	Very high	95	Very high	100 Å²	100	63 Å²	63	47%	0.467	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	157.1	168.5	-69.9	-64.1	164.9	0	0	112.6	K116 A121 H127	K116-E119 HydrophobicContact CD-CG 4.21Å; K116-E119 VanDerWaalsContact CD-OE1 3.27Å; K116-E119 WeakPolarHBondContact CD-OE1 3.45Å; K116-E119 WeakPolarHBondContact CD-OE2 3.46Å; K116-E119 WeakPolarHBondContact CE-OE2 3.39Å; K116-E119 IonicContact NZ-OE1 3.86Å; K116-E119 PolarHBondContact NZ-OE1 3.39Å; K116-E119 IonicContact NZ-OE2 3.4Å; K116-E119 PolarHBondContact NZ-OE2 3.38Å; E119-A121 PolarHBondContact O-N 3.15Å; E119-A121 VanDerWaalsContact O-N 3.1Å; E119-H127 PolarHBondContact O-CE1 2.83Å
120	L	94.9	Very high	95	Very high	27 Å²	27	63.9 Å²	63.9	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	109.8	176.8	-172.7	66.9	0	0	0	109.1	H60 Y62 Q103 V104 T155 M159	H60-L120 HydrophobicContact CB-CD1 4.41Å; H60-L120 HydrophobicContact CB-CD2 4.05Å; Y62-L120 HydrophobicContact CE2-CB 4.48Å; Y62-L120 HydrophobicContact CE2-CD1 4.35Å; Y62-L120 HydrophobicContact CE2-CD2 4.42Å; Q103-L120 HydrophobicContact CB-CD1 3.78Å; Q103-L120 HydrophobicContact CB-CG 3.8Å; V104-L120 WeakPolarHBondContact O-CA 3.41Å; L120-T155 HydrophobicContact CB-CG2 4.48Å; L120-T155 HydrophobicContact CD2-CG2 4.18Å; L120-M159 HydrophobicContact CD2-CE 3.78Å; L120-M159 HydrophobicContact CD2-SD 4.32Å
121	A	94.8	Very high	95.1	Very high	22 Å²	22	61.5 Å²	61.5	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.9	-174.6	0	0	0	0	0	111.8	Q103 V104 E119 H127	Q103-A121 WeakPolarHBondContact CA-O 3.48Å; V104-A121 PolarHBondContact N-O 3.04Å; V104-A121 PolarHBondContact O-N 3.48Å; E119-A121 PolarHBondContact O-N 3.15Å; E119-A121 VanDerWaalsContact O-N 3.1Å; A121-H127 PolarHBondContact O-NE2 3.04Å
122	G	94.1	Very high	95.1	Very high	43 Å²	43	62.9 Å²	62.9	44%	0.443	32%	0.319	S	S	.	.	S	Bend	trans	-99.9	12.6	177.9	0	0	0	0	0	114.6	P124	G122-P124 WeakPolarHBondContact O-CD 3.33Å
123	N	93.5	Very high	95.1	Very high	79 Å²	79	66 Å²	66	42%	0.422	33%	0.333	S	S	.	.			trans	-104.6	102.5	-174.5	-176.8	-7.5	0	0	0	111.2	K125 K126 H127	N123-K125 VanDerWaalsContact C-N 3.3Å; N123-K125 PolarHBondContact O-N 3.5Å; N123-K125 PolarHBondContact OD1-N 3.13Å; N123-K126 HydrophobicContact CB-CB 4.38Å; N123-K126 PolarHBondContact O-N 3.43Å; N123-H127 PolarHBondContact O-CD2 2.89Å
124	P	94.8	Very high	95	Very high	36 Å²	36	58.3 Å²	58.3	23%	0.234	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-39.7	-176.8	19.5	-31.2	0	0	0	112.9	I92 F96 G122 K126 H127 I128	I92-P124 HydrophobicContact CG2-CB 4.05Å; F96-P124 HydrophobicContact CD2-CB 3.69Å; F96-P124 HydrophobicContact CD2-CG 4.3Å; F96-P124 HydrophobicContact CE2-CB 4.22Å; F96-P124 HydrophobicContact CG-CB 4.28Å; F96-P124 HydrophobicContact CG-CG 4.44Å; G122-P124 WeakPolarHBondContact O-CD 3.33Å; P124-K126 VanDerWaalsContact C-N 3.26Å; P124-K126 PolarHBondContact O-N 3.36Å; P124-H127 PolarHBondContact O-N 3.4Å; P124-I128 HydrophobicContact CB-CD1 4.43Å; P124-I128 WeakPolarHBondContact O-CG1 3.37Å; P124-I128 PolarHBondContact O-N 3.28Å
125	K	95.5	Very high	94.7	Very high	169 Å²	169	59.4 Å²	59.4	74%	0.735	31%	0.31	S	S	*	.	H	α-helix	trans	-59.7	-37	-177.2	-64.1	-175.1	179.6	-179.8	0	112.5	N123 A129	N123-K125 VanDerWaalsContact C-N 3.3Å; N123-K125 PolarHBondContact O-N 3.5Å; N123-K125 PolarHBondContact OD1-N 3.13Å; K125-A129 VanDerWaalsContact O-CB 3.28Å; K125-A129 WeakPolarHBondContact O-CB 3.32Å; K125-A129 PolarHBondContact O-N 2.99Å
126	K	95.7	Very high	94.3	Very high	113 Å²	113	62.2 Å²	62.2	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-66.4	-41.7	178.5	-174.9	179.2	179.1	-178.6	0	111	N123 P124 A130	N123-K126 HydrophobicContact CB-CB 4.38Å; N123-K126 PolarHBondContact O-N 3.43Å; P124-K126 VanDerWaalsContact C-N 3.26Å; P124-K126 PolarHBondContact O-N 3.36Å; K126-A130 WeakPolarHBondContact O-CB 3.36Å; K126-A130 PolarHBondContact O-N 3.05Å
127	H	96.4	Very high	93.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.4	-45.6	179.2	-59.9	-63.1	0	0	0	111.8	I92 F96 V104 I106 T118 E119 A121 N123 P124 A129 A130 L131	I92-H127 HydrophobicContact CD1-CB 3.73Å; I92-H127 HydrophobicContact CG2-CB 4.29Å; F96-H127 AromaticContact CE2-CD2 3.98Å; V104-H127 PolarHBondContact O-CE1 3.13Å; V104-H127 PolarHBondContact O-NE2 3.12Å; I106-H127 HydrophobicContact CD1-CB 3.86Å; T118-H127 WeakPolarHBondContact CB-ND1 3.41Å; T118-H127 PolarHBondContact OG1-CE1 3.15Å; T118-H127 PolarHBondContact OG1-ND1 3.08Å; E119-H127 PolarHBondContact O-CE1 2.83Å; A121-H127 PolarHBondContact O-NE2 3.04Å; N123-H127 PolarHBondContact O-CD2 2.89Å; P124-H127 PolarHBondContact O-N 3.4Å; H127-A129 PolarHBondContact O-N 3.28Å; H127-A130 WeakPolarHBondContact O-CB 3.43Å; H127-A130 PolarHBondContact O-N 3.27Å; H127-A130 VanDerWaalsContact O-N 3.13Å; H127-L131 WeakPolarHBondContact O-CG 3.37Å; H127-L131 PolarHBondContact O-N 3.09Å
128	I	96.1	Very high	93.5	Very high	22 Å²	22	62.5 Å²	62.5	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-43.7	178	-66.9	165	0	0	0	111	E89 I92 D93 P124 A130 L131 K132	E89-I128 HydrophobicContact CG-CG2 4.17Å; I92-I128 HydrophobicContact CG2-CD1 4.38Å; I92-I128 HydrophobicContact CG2-CG1 4.14Å; D93-I128 WeakPolarHBondContact OD1-CD1 2.96Å; P124-I128 HydrophobicContact CB-CD1 4.43Å; P124-I128 WeakPolarHBondContact O-CG1 3.37Å; P124-I128 PolarHBondContact O-N 3.28Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 2.89Å; I128-L131 PolarHBondContact O-N 3.21Å; I128-K132 HydrophobicContact CG2-CD 4.26Å; I128-K132 WeakPolarHBondContact O-CG 3.47Å; I128-K132 PolarHBondContact O-N 3.08Å
129	A	95.9	Very high	93.2	Very high	60 Å²	60	62.7 Å²	62.7	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-38	175.9	0	0	0	0	0	112.2	K125 H127 K133	K125-A129 VanDerWaalsContact O-CB 3.28Å; K125-A129 WeakPolarHBondContact O-CB 3.32Å; K125-A129 PolarHBondContact O-N 2.99Å; H127-A129 PolarHBondContact O-N 3.28Å; A129-K133 PolarHBondContact O-N 2.94Å; A129-K133 VanDerWaalsContact O-N 3.14Å
130	A	95.6	Very high	93	Very high	18 Å²	18	61.4 Å²	61.4	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-70.3	-38.7	177	0	0	0	0	0	112.5	L117 T118 K126 H127 I128 K133 A134	L117-A130 HydrophobicContact CD1-CB 4.5Å; L117-A130 HydrophobicContact CD2-CB 4.16Å; L117-A130 HydrophobicContact CG-CB 3.98Å; T118-A130 HydrophobicContact CG2-CB 3.34Å; K126-A130 WeakPolarHBondContact O-CB 3.36Å; K126-A130 PolarHBondContact O-N 3.05Å; H127-A130 WeakPolarHBondContact O-CB 3.43Å; H127-A130 PolarHBondContact O-N 3.27Å; H127-A130 VanDerWaalsContact O-N 3.13Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 2.89Å; A130-K133 PolarHBondContact O-N 2.84Å; A130-A134 PolarHBondContact O-N 3.31Å
131	L	95.3	Very high	92.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-45.4	173.7	-71.1	177.6	0	0	0	111.6	I65 L85 M88 E89 I92 I106 H127 I128 K133 A134 V135	I65-L131 HydrophobicContact CD1-CD2 3.82Å; L85-L131 HydrophobicContact CD2-CD2 3.63Å; M88-L131 HydrophobicContact CB-CD1 3.9Å; E89-L131 HydrophobicContact CG-CB 4.2Å; E89-L131 HydrophobicContact CG-CD1 4Å; I92-L131 HydrophobicContact CD1-CD1 3.52Å; I92-L131 HydrophobicContact CD1-CG 4.45Å; I106-L131 HydrophobicContact CD1-CD1 4.41Å; I106-L131 HydrophobicContact CD1-CD2 3.96Å; I106-L131 HydrophobicContact CD1-CG 4Å; I106-L131 HydrophobicContact CG2-CD2 4.48Å; H127-L131 WeakPolarHBondContact O-CG 3.37Å; H127-L131 PolarHBondContact O-N 3.09Å; I128-L131 PolarHBondContact O-N 3.21Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.9Å; L131-A134 WeakPolarHBondContact O-CA 3.49Å; L131-A134 WeakPolarHBondContact O-CB 3.35Å; L131-A134 PolarHBondContact O-N 2.93Å; L131-V135 PolarHBondContact O-N 3.2Å
132	K	94.7	Very high	92.8	Very high	116 Å²	116	64.1 Å²	64.1	50%	0.504	36%	0.359	S	S	.	.	H	α-helix	trans	-58	-42.1	175.9	-73.3	179.7	-179.7	-178.1	0	112.1	E89 I128 A134 V135	E89-K132 WeakPolarHBondContact OE1-CG 3.5Å; E89-K132 WeakPolarHBondContact OE2-CE 3.37Å; E89-K132 IonicContact OE2-NZ 3.19Å; I128-K132 HydrophobicContact CG2-CD 4.26Å; I128-K132 WeakPolarHBondContact O-CG 3.47Å; I128-K132 PolarHBondContact O-N 3.08Å; K132-A134 VanDerWaalsContact C-N 3.28Å; K132-A134 PolarHBondContact O-N 2.83Å; K132-V135 WeakPolarHBondContact O-CB 3.36Å; K132-V135 PolarHBondContact O-N 3.31Å
133	K	93.8	Very high	92.9	Very high	172 Å²	172	62.1 Å²	62.1	75%	0.748	34%	0.337	S	S	*	.	H	α-helix	trans	-66.5	-29.2	174.7	-173.5	178.4	178.4	-177.8	0	112.8	A129 A130 L131 V135	A129-K133 PolarHBondContact O-N 2.94Å; A129-K133 VanDerWaalsContact O-N 3.14Å; A130-K133 PolarHBondContact O-N 2.84Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.9Å; K133-V135 VanDerWaalsContact C-N 3.29Å; K133-V135 PolarHBondContact O-N 2.92Å
134	A	92.1	Very high	93	Very high	11 Å²	11	58.3 Å²	58.3	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-75.2	-16.4	179.9	0	0	0	0	0	113.3	L85 L117 A130 L131 K132 D136 S137	L85-A134 HydrophobicContact CD1-CB 4.15Å; L85-A134 HydrophobicContact CD2-CB 4.47Å; L117-A134 HydrophobicContact CD2-CB 4.05Å; A130-A134 PolarHBondContact O-N 3.31Å; L131-A134 WeakPolarHBondContact O-CA 3.49Å; L131-A134 WeakPolarHBondContact O-CB 3.35Å; L131-A134 PolarHBondContact O-N 2.93Å; K132-A134 VanDerWaalsContact C-N 3.28Å; K132-A134 PolarHBondContact O-N 2.83Å; A134-D136 VanDerWaalsContact C-N 3.26Å; A134-D136 PolarHBondContact O-N 2.78Å; A134-S137 WeakPolarHBondContact O-CB 3.48Å; A134-S137 PolarHBondContact O-N 2.85Å
135	V	90.1	Very high	93.1	Very high	46 Å²	46	56.7 Å²	56.7	28%	0.279	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-37.8	177.5	178.8	0	0	0	0	111.7	T82 L85 L131 K132 K133 S137	T82-V135 HydrophobicContact CG2-CG1 4.42Å; L85-V135 HydrophobicContact CB-CG2 4.29Å; L85-V135 HydrophobicContact CD1-CB 4.26Å; L85-V135 HydrophobicContact CD1-CG2 3.68Å; L131-V135 PolarHBondContact O-N 3.2Å; K132-V135 WeakPolarHBondContact O-CB 3.36Å; K132-V135 PolarHBondContact O-N 3.31Å; K133-V135 VanDerWaalsContact C-N 3.29Å; K133-V135 PolarHBondContact O-N 2.92Å; V135-S137 PolarHBondContact O-N 3.25Å
136	D	85.9	Confident	93.1	Very high	147 Å²	147	51.7 Å²	51.7	79%	0.786	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	2.7	179.6	-58.3	-38.8	0	0	0	112.9	A134	A134-D136 VanDerWaalsContact C-N 3.26Å; A134-D136 PolarHBondContact O-N 2.78Å
137	S	85.4	Confident	93.2	Very high	46 Å²	46	48.6 Å²	48.6	32%	0.322	27%	0.272	S	S	.	.	S	Bend	trans	-78.6	134.4	-179.3	-153.2	0	0	0	0	111.2	A134 V135 C139	A134-S137 WeakPolarHBondContact O-CB 3.48Å; A134-S137 PolarHBondContact O-N 2.85Å; V135-S137 PolarHBondContact O-N 3.25Å; S137-C139 PolarHBondContact O-N 2.98Å
138	S	86.4	Confident	93.2	Very high	80 Å²	80	48.6 Å²	48.6	56%	0.559	27%	0.272	S	S	*	.			trans	-70.3	131.3	175.8	53.9	0	0	0	0	111.5	V140	S138-V140 PolarHBondContact O-N 2.93Å
139	C	90.1	Very high	93.2	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.061	27%	0.267	C	S	.	.			trans	-84	98.3	176.7	-74.7	0	0	0	0	109.7	C67 S68 M71 E72 L81 S137	C67-C139 CarbonylContact O-C 3.56Å; C67-C139 VanDerWaalsContact O-CA 3.29Å; C67-C139 WeakPolarHBondContact O-CA 3.48Å; S68-C139 WeakPolarHBondContact O-CB 3.34Å; M71-C139 HydrophobicContact CB-CB 4.31Å; E72-C139 HydrophobicContact CG-CB 3.71Å; L81-C139 VanDerWaalsContact CD2-SG 3.5Å; S137-C139 PolarHBondContact O-N 2.98Å
140	V	91.4	Very high	93.2	Very high	74 Å²	74	46 Å²	46	45%	0.448	25%	0.252	S	S	.	.			trans	-129.1	141.3	-171.6	-173.7	0	0	0	0	112	C67 N111 S138	C67-V140 PolarHBondContact O-N 2.82Å; N111-V140 PolarHBondContact N-O 3.29Å; S138-V140 PolarHBondContact O-N 2.93Å
141	G	92.9	Very high	93.3	Very high	27 Å²	27	46.9 Å²	46.9	28%	0.278	25%	0.254	S	S	.	.	S	Bend	trans	72.1	-151.7	175.4	0	0	0	0	0	112.4	S68 R69	S68-G141 WeakPolarHBondContact CA-O 3.4Å; S68-G141 VanDerWaalsContact CB-O 3.26Å; S68-G141 WeakPolarHBondContact CB-O 3.36Å; R69-G141 PolarHBondContact N-O 2.8Å
142	E	93.8	Very high	93.3	Very high	79 Å²	79	46.9 Å²	46.9	37%	0.369	25%	0.254	S	S	.	.			trans	-117.6	156.7	-172.9	-65.3	172	139.7	0	0	110.6	N111 K112 C177	N111-E142 PolarHBondContact N-O 2.81Å; K112-E142 WeakPolarHBondContact CA-O 3.35Å; K112-E142 HydrophobicContact CG-CB 4.32Å; K112-E142 PolarHBondContact N-O 2.89Å; E142-C177 HydrophobicContact CB-CB 4.23Å; E142-C177 PolarHBondContact OE2-SG 2.8Å
143	P	95.5	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.			trans	-81.2	150	178.1	32.5	-30.7	0	0	0	111.6	T109 L171 S173 T175 T176 C177	T109-P143 HydrophobicContact CG2-CB 3.58Å; P143-L171 HydrophobicContact CB-CD1 4.28Å; P143-L171 HydrophobicContact CG-CD1 3.99Å; P143-S173 VanDerWaalsContact CG-CB 3.44Å; P143-T175 WeakPolarHBondContact CG-O 3.28Å; P143-T176 WeakPolarHBondContact O-CA 3.32Å; P143-T176 PolarHBondContact O-OG1 2.81Å; P143-T176 VanDerWaalsContact O-OG1 3.13Å; P143-C177 PolarHBondContact O-N 2.82Å
144	S	96.1	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.			trans	-118.6	109.5	168.3	173.9	0	0	0	0	110.3	T109 K112 N147 S148 D178	T109-S144 PolarHBondContact OG1-N 3.24Å; T109-S144 PolarHBondContact OG1-O 3.23Å; T109-S144 VanDerWaalsContact OG1-O 3.09Å; K112-S144 WeakPolarHBondContact O-CB 3.34Å; S144-N147 WeakPolarHBondContact OG-CB 3.34Å; S144-N147 PolarHBondContact OG-N 2.64Å; S144-N147 PolarHBondContact OG-ND2 3.16Å; S144-S148 PolarHBondContact O-N 2.76Å; S144-S148 PolarHBondContact O-OG 3.39Å; S144-S148 VanDerWaalsContact O-OG 3.07Å; S144-D178 WeakPolarHBondContact CA-OD1 3.26Å; S144-D178 WeakPolarHBondContact CB-OD1 3.33Å; S144-D178 PolarHBondContact OG-OD1 3.44Å
145	L	95.9	Very high	93.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-71.3	-39.2	175.2	-69.6	-177.3	0	0	0	111.5	N147 S148 L149 I169 L171 T176 D178 I182	L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.33Å; L145-S148 PolarHBondContact O-N 2.97Å; L145-L149 VanDerWaalsContact O-CB 3.28Å; L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.43Å; L145-L149 PolarHBondContact O-N 3.27Å; L145-I169 HydrophobicContact CD2-CD1 4.23Å; L145-I169 HydrophobicContact CD2-CG2 3.93Å; L145-L171 HydrophobicContact CD2-CD1 4.32Å; L145-T176 HydrophobicContact CD1-CG2 4.13Å; L145-T176 HydrophobicContact CG-CG2 4.4Å; L145-T176 PolarHBondContact N-OG1 2.83Å; L145-T176 VanDerWaalsContact N-OG1 3.15Å; L145-D178 PolarHBondContact N-OD1 2.85Å; L145-I182 HydrophobicContact CB-CD1 3.83Å; L145-I182 HydrophobicContact CD1-CD1 4.19Å
146	Y	96.6	Very high	93.6	Very high	64 Å²	64	38.4 Å²	38.4	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-47.3	179.8	-178.4	-86	0	0	0	111.4	S150 D178 P179 A180 L185	Y146-S150 WeakPolarHBondContact O-CB 3.17Å; Y146-S150 PolarHBondContact O-N 2.85Å; Y146-S150 PolarHBondContact O-OG 3.2Å; Y146-D178 WeakPolarHBondContact CB-OD1 3.25Å; Y146-D178 VanDerWaalsContact N-CG 3.31Å; Y146-D178 PolarHBondContact N-OD1 3.34Å; Y146-D178 PolarHBondContact N-OD2 3.22Å; Y146-P179 HydrophobicContact CD1-CG 3.85Å; Y146-P179 HydrophobicContact CE1-CG 4.34Å; Y146-A180 HydrophobicContact CD1-CB 4.47Å; Y146-A180 HydrophobicContact CD2-CB 4.1Å; Y146-A180 HydrophobicContact CE1-CB 4.05Å; Y146-A180 HydrophobicContact CE2-CB 3.64Å; Y146-L185 HydrophobicContact CD2-CB 4.31Å; Y146-L185 HydrophobicContact CD2-CD2 3.74Å; Y146-L185 HydrophobicContact CE2-CB 4.24Å; Y146-L185 HydrophobicContact CE2-CD2 4.1Å; Y146-L185 HydrophobicContact CG-CD2 4.22Å
147	N	96.4	Very high	93.9	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.262	20%	0.202	S	C	.	.	H	α-helix	trans	-67	-42	179.8	-72.4	-29.9	0	0	0	111.7	K112 A114 S144 L145 S150 L151	K112-N147 PolarHBondContact O-ND2 3.42Å; A114-N147 VanDerWaalsContact CB-C 3.48Å; A114-N147 HydrophobicContact CB-CB 3.8Å; S144-N147 WeakPolarHBondContact OG-CB 3.34Å; S144-N147 PolarHBondContact OG-N 2.64Å; S144-N147 PolarHBondContact OG-ND2 3.16Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.33Å; N147-S150 PolarHBondContact O-N 2.95Å; N147-L151 WeakPolarHBondContact O-CB 3.12Å; N147-L151 PolarHBondContact O-N 3.44Å
148	S	97	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-46	178.7	-63.3	0	0	0	0	112.4	T109 A114 S144 L145 L151 A152	T109-S148 WeakPolarHBondContact CB-OG 3.36Å; T109-S148 PolarHBondContact OG1-OG 3.48Å; A114-S148 VanDerWaalsContact CB-CA 3.48Å; A114-S148 WeakPolarHBondContact CB-OG 3.3Å; S144-S148 PolarHBondContact O-N 2.76Å; S144-S148 PolarHBondContact O-OG 3.39Å; S144-S148 VanDerWaalsContact O-OG 3.07Å; L145-S148 PolarHBondContact O-N 2.97Å; S148-L151 PolarHBondContact O-N 3.01Å; S148-A152 PolarHBondContact O-N 3.49Å
149	L	96.9	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-42.8	177.3	-71.6	172.4	0	0	0	111.1	L145 L151 A152 I153 I167 I169 I182 L185 L189 V196 L211	L145-L149 VanDerWaalsContact O-CB 3.28Å; L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.43Å; L145-L149 PolarHBondContact O-N 3.27Å; L149-L151 VanDerWaalsContact C-N 3.32Å; L149-L151 PolarHBondContact O-N 3.38Å; L149-A152 PolarHBondContact O-N 3.35Å; L149-I153 WeakPolarHBondContact O-CB 3.41Å; L149-I153 WeakPolarHBondContact O-CD1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3.27Å; L149-I153 PolarHBondContact O-N 2.94Å; L149-I167 HydrophobicContact CD2-CD1 3.74Å; L149-I167 HydrophobicContact CD2-CG2 4.28Å; L149-I169 HydrophobicContact CD2-CD1 4.14Å; L149-I182 HydrophobicContact CD1-CD1 4.45Å; L149-L185 HydrophobicContact CB-CD2 3.55Å; L149-L185 HydrophobicContact CB-CG 4.44Å; L149-L185 HydrophobicContact CD1-CD2 4.08Å; L149-L185 HydrophobicContact CG-CD2 4.47Å; L149-L189 HydrophobicContact CD1-CD1 4.08Å; L149-L189 HydrophobicContact CD2-CD1 4.12Å; L149-V196 HydrophobicContact CD2-CG1 4.31Å; L149-V196 HydrophobicContact CD2-CG2 4.29Å; L149-L211 HydrophobicContact CD1-CD1 4.38Å; L149-L211 HydrophobicContact CD1-CD2 4.13Å
150	S	96.1	Very high	94.3	Very high	27 Å²	27	41.3 Å²	41.3	19%	0.189	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-42.7	176.8	-63.9	0	0	0	0	111.7	Y146 N147 I153 Q154	Y146-S150 WeakPolarHBondContact O-CB 3.17Å; Y146-S150 PolarHBondContact O-N 2.85Å; Y146-S150 PolarHBondContact O-OG 3.2Å; N147-S150 PolarHBondContact O-N 2.95Å; S150-I153 PolarHBondContact O-N 2.9Å; S150-Q154 WeakPolarHBondContact O-CG 3.33Å; S150-Q154 PolarHBondContact O-N 3.17Å; S150-Q154 VanDerWaalsContact O-N 3.11Å
151	L	96.1	Very high	94	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.188	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-40.9	177.6	-171.7	62.2	0	0	0	112.1	I107 A114 K116 N147 S148 L149	I107-L151 HydrophobicContact CD1-CB 4.3Å; I107-L151 HydrophobicContact CD1-CD2 4.23Å; I107-L151 HydrophobicContact CD1-CG 4.24Å; I107-L151 HydrophobicContact CG1-CD2 4.27Å; I107-L151 HydrophobicContact CG2-CD2 4.21Å; A114-L151 HydrophobicContact CB-CD2 4.31Å; K116-L151 HydrophobicContact CB-CD2 4Å; N147-L151 WeakPolarHBondContact O-CB 3.12Å; N147-L151 PolarHBondContact O-N 3.44Å; S148-L151 PolarHBondContact O-N 3.01Å; L149-L151 VanDerWaalsContact C-N 3.32Å; L149-L151 PolarHBondContact O-N 3.38Å
152	A	96.3	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-43.4	174.8	0	0	0	0	0	111.9	Y62 I107 S148 L149 Q154 T155 L156 I167	Y62-A152 HydrophobicContact CD2-CB 4.03Å; Y62-A152 HydrophobicContact CG-CB 4.01Å; I107-A152 HydrophobicContact CD1-CB 3.96Å; S148-A152 PolarHBondContact O-N 3.49Å; L149-A152 PolarHBondContact O-N 3.35Å; A152-Q154 VanDerWaalsContact C-N 3.3Å; A152-Q154 PolarHBondContact O-N 3Å; A152-T155 PolarHBondContact O-N 3.47Å; A152-L156 HydrophobicContact CB-CD1 4.35Å; A152-L156 WeakPolarHBondContact O-CB 3.32Å; A152-L156 WeakPolarHBondContact O-CG 3.29Å; A152-L156 PolarHBondContact O-N 2.89Å; A152-I167 HydrophobicContact CB-CD1 3.69Å; A152-I167 HydrophobicContact CB-CG1 4.31Å
153	I	94.9	Very high	93.3	Very high	17 Å²	17	36.9 Å²	36.9	9%	0.087	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-39.3	178.9	-72.3	162.6	0	0	0	111.5	L149 S150 T155 L156 K157 L185 L189 L192	L149-I153 WeakPolarHBondContact O-CB 3.41Å; L149-I153 WeakPolarHBondContact O-CD1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3.27Å; L149-I153 PolarHBondContact O-N 2.94Å; S150-I153 PolarHBondContact O-N 2.9Å; I153-T155 PolarHBondContact O-N 3.29Å; I153-L156 PolarHBondContact O-N 3.02Å; I153-K157 VanDerWaalsContact O-CB 3.3Å; I153-K157 WeakPolarHBondContact O-CB 3.4Å; I153-K157 WeakPolarHBondContact O-CG 3.47Å; I153-K157 PolarHBondContact O-N 3.42Å; I153-L185 HydrophobicContact CD1-CD1 3.52Å; I153-L185 HydrophobicContact CD1-CG 4.12Å; I153-L189 HydrophobicContact CD1-CD2 3.57Å; I153-L189 HydrophobicContact CD1-CG 3.83Å; I153-L189 HydrophobicContact CG1-CD2 3.55Å; I153-L189 HydrophobicContact CG1-CG 4.36Å; I153-L192 HydrophobicContact CG2-CD1 3.6Å
154	Q	94.3	Very high	93.1	Very high	115 Å²	115	38 Å²	38	54%	0.537	20%	0.197	S	C	.	.	H	α-helix	trans	-55.1	-37.3	179.7	-77.4	175.8	0.3	0	0	112.6	S150 A152 K157 H158	S150-Q154 WeakPolarHBondContact O-CG 3.33Å; S150-Q154 PolarHBondContact O-N 3.17Å; S150-Q154 VanDerWaalsContact O-N 3.11Å; A152-Q154 VanDerWaalsContact C-N 3.3Å; A152-Q154 PolarHBondContact O-N 3Å; Q154-K157 WeakPolarHBondContact O-CE 3.29Å; Q154-H158 PolarHBondContact O-CD2 3.33Å; Q154-H158 VanDerWaalsContact O-CD2 3.28Å
155	T	93.8	Very high	93	Very high	36 Å²	36	39.4 Å²	39.4	22%	0.221	20%	0.203	C	C	.	.	H	α-helix	trans	-86.1	-46.8	175.5	-57	0	0	0	0	111.6	Y62 L120 A152 I153 K157 H158	Y62-T155 HydrophobicContact CE2-CG2 4.21Å; Y62-T155 VanDerWaalsContact OH-CB 3.26Å; Y62-T155 WeakPolarHBondContact OH-CB 3.4Å; Y62-T155 VanDerWaalsContact OH-CG2 3.32Å; Y62-T155 WeakPolarHBondContact OH-CG2 3.16Å; Y62-T155 PolarHBondContact OH-OG1 3.22Å; L120-T155 HydrophobicContact CB-CG2 4.48Å; L120-T155 HydrophobicContact CD2-CG2 4.18Å; A152-T155 PolarHBondContact O-N 3.47Å; I153-T155 PolarHBondContact O-N 3.29Å; T155-K157 VanDerWaalsContact C-N 3.29Å; T155-K157 PolarHBondContact O-N 2.83Å; T155-H158 PolarHBondContact O-N 3.28Å
156	L	93.8	Very high	93	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-27.7	-174.5	-71.1	175	0	0	0	114.1	H60 Y62 A152 I153 H158 M159 R165 I167 V194	H60-L156 HydrophobicContact CB-CD2 3.91Å; Y62-L156 HydrophobicContact CD2-CD1 3.94Å; Y62-L156 HydrophobicContact CD2-CD2 3.95Å; Y62-L156 HydrophobicContact CD2-CG 3.77Å; Y62-L156 HydrophobicContact CE2-CD2 4.13Å; Y62-L156 HydrophobicContact CE2-CG 3.95Å; A152-L156 HydrophobicContact CB-CD1 4.35Å; A152-L156 WeakPolarHBondContact O-CB 3.32Å; A152-L156 WeakPolarHBondContact O-CG 3.29Å; A152-L156 PolarHBondContact O-N 2.89Å; I153-L156 PolarHBondContact O-N 3.02Å; L156-H158 PolarHBondContact O-N 2.88Å; L156-M159 HydrophobicContact CD2-CG 4.41Å; L156-M159 PolarHBondContact O-N 3.44Å; L156-M159 VanDerWaalsContact O-N 3.14Å; L156-R165 HydrophobicContact CD2-CB 4.23Å; L156-R165 HydrophobicContact CD2-CG 4.25Å; L156-R165 VanDerWaalsContact O-CD 3.25Å; L156-R165 WeakPolarHBondContact O-CD 3.34Å; L156-I167 HydrophobicContact CD1-CD1 4.02Å; L156-I167 HydrophobicContact CD1-CG1 3.82Å; L156-V194 HydrophobicContact CD1-CG1 3.96Å
157	K	93.1	Very high	93	Very high	105 Å²	105	37 Å²	37	46%	0.457	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.6	179.1	72.8	-173.7	-174.2	178.6	0	113.4	I153 Q154 T155 L192	I153-K157 VanDerWaalsContact O-CB 3.3Å; I153-K157 WeakPolarHBondContact O-CB 3.4Å; I153-K157 WeakPolarHBondContact O-CG 3.47Å; I153-K157 PolarHBondContact O-N 3.42Å; Q154-K157 WeakPolarHBondContact O-CE 3.29Å; T155-K157 VanDerWaalsContact C-N 3.29Å; T155-K157 PolarHBondContact O-N 2.83Å; K157-L192 HydrophobicContact CB-CD1 4.43Å; K157-L192 HydrophobicContact CB-CD2 4.45Å
158	H	91.9	Very high	93.1	Very high	141 Å²	141	34.7 Å²	34.7	65%	0.653	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.2	179.8	-64.3	-62.7	0	0	0	112.9	Q154 T155 L156	Q154-H158 PolarHBondContact O-CD2 3.33Å; Q154-H158 VanDerWaalsContact O-CD2 3.28Å; T155-H158 PolarHBondContact O-N 3.28Å; L156-H158 PolarHBondContact O-N 2.88Å
159	M	90.4	Very high	93.1	Very high	36 Å²	36	34.9 Å²	34.9	18%	0.177	18%	0.182	C	C	.	.	S	Bend	trans	-76.8	141.8	179.6	-54.1	-52.2	-84.8	0	0	110.4	H60 L120 L156 R165	H60-M159 HydrophobicContact CB-CE 4.47Å; H60-M159 VanDerWaalsContact CD2-CE 3.49Å; H60-M159 WeakPolarHBondContact CD2-CE 3.43Å; H60-M159 WeakPolarHBondContact CE1-CE 3.25Å; H60-M159 VanDerWaalsContact CG-CE 3.48Å; H60-M159 VanDerWaalsContact ND1-CE 3.26Å; H60-M159 WeakPolarHBondContact ND1-CE 3.43Å; H60-M159 VanDerWaalsContact NE2-CE 3.28Å; H60-M159 WeakPolarHBondContact NE2-CE 3.46Å; L120-M159 HydrophobicContact CD2-CE 3.78Å; L120-M159 HydrophobicContact CD2-SD 4.32Å; L156-M159 HydrophobicContact CD2-CG 4.41Å; L156-M159 PolarHBondContact O-N 3.44Å; L156-M159 VanDerWaalsContact O-N 3.14Å; M159-R165 HydrophobicContact CB-CG 4.41Å
160	P	88.1	Confident	93.2	Very high	60 Å²	60	34.9 Å²	34.9	39%	0.39	18%	0.182	S	C	.	.			trans	-59.3	149.1	-177.3	-23.6	33.3	0	0	0	113.5	H162 T163	P160-H162 WeakPolarHBondContact CB-CE1 3.36Å; P160-H162 WeakPolarHBondContact CB-ND1 3.37Å; P160-H162 PolarHBondContact O-N 2.82Å; P160-H162 VanDerWaalsContact O-N 3.16Å; P160-T163 HydrophobicContact CB-CG2 4.27Å; P160-T163 HydrophobicContact CG-CG2 4.42Å; P160-T163 PolarHBondContact O-N 2.84Å; P160-T163 PolarHBondContact O-OG1 2.74Å
161	G	84.5	Confident	93.2	Very high	24 Å²	24	33.8 Å²	33.8	25%	0.247	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.1	-176.5	0	0	0	0	0	115.7	T163	G161-T163 VanDerWaalsContact C-N 3.31Å
162	H	84	Confident	93.1	Very high	53 Å²	53	32.2 Å²	32.2	25%	0.245	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11	174.9	61.6	-102.4	0	0	0	113.7	P160 E246 S248 I250	P160-H162 WeakPolarHBondContact CB-CE1 3.36Å; P160-H162 WeakPolarHBondContact CB-ND1 3.37Å; P160-H162 PolarHBondContact O-N 2.82Å; P160-H162 VanDerWaalsContact O-N 3.16Å; H162-E246 HydrophobicContact CB-CB 4.39Å; H162-S248 WeakPolarHBondContact CB-OG 3.35Å; H162-S248 PolarHBondContact ND1-OG 3.3Å; H162-I250 WeakPolarHBondContact NE2-CD1 3.38Å
163	T	88.8	Confident	92.9	Very high	10 Å²	10	32.9 Å²	32.9	6%	0.061	17%	0.171	C	C	.	.	S	Bend	trans	-90	146.6	178.2	67.5	0	0	0	0	110.8	M58 H60 P160 G161	M58-T163 HydrophobicContact CB-CG2 4.29Å; H60-T163 VanDerWaalsContact CD2-CB 3.42Å; H60-T163 WeakPolarHBondContact CD2-CB 3.47Å; H60-T163 PolarHBondContact CD2-OG1 3.19Å; H60-T163 VanDerWaalsContact CD2-OG1 3.3Å; H60-T163 WeakPolarHBondContact NE2-CG2 3.25Å; P160-T163 HydrophobicContact CB-CG2 4.27Å; P160-T163 HydrophobicContact CG-CG2 4.42Å; P160-T163 PolarHBondContact O-N 2.84Å; P160-T163 PolarHBondContact O-OG1 2.74Å; G161-T163 VanDerWaalsContact C-N 3.31Å
164	S	90.5	Very high	92.8	Very high	25 Å²	25	37.1 Å²	37.1	18%	0.175	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.7	171.1	-170.7	0	0	0	0	109.1	M58 H60 E166	M58-S164 PolarHBondContact O-N 3.4Å; H60-S164 PolarHBondContact N-O 3.27Å; S164-E166 WeakPolarHBondContact CB-OE1 3.28Å; S164-E166 WeakPolarHBondContact OG-CG 3.18Å; S164-E166 PolarHBondContact OG-OE1 2.85Å
165	R	93.8	Very high	92.7	Very high	29 Å²	29	35 Å²	35	11%	0.109	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.6	176.8	-66	174.9	-71.8	-152.2	-7.9	108.4	L156 M159 L192 V194 R195	L156-R165 HydrophobicContact CD2-CB 4.23Å; L156-R165 HydrophobicContact CD2-CG 4.25Å; L156-R165 VanDerWaalsContact O-CD 3.25Å; L156-R165 WeakPolarHBondContact O-CD 3.34Å; M159-R165 HydrophobicContact CB-CG 4.41Å; R165-L192 PolarHBondContact NE-O 2.88Å; R165-L192 PolarHBondContact NH1-O 2.62Å; R165-L192 PolarHBondContact NH2-O 2.71Å; R165-V194 HydrophobicContact CB-CG2 4.08Å; R165-R195 PolarHBondContact O-N 3.29Å
166	E	95.3	Very high	92.6	Very high	11 Å²	11	35 Å²	35	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.3	-169.9	-66.8	173.6	-131.4	0	0	110.8	R59 H60 L61 Y62 S164 R195 P239	R59-E166 IonicContact CZ-OE1 2.64Å; R59-E166 IonicContact CZ-OE2 2.89Å; R59-E166 IonicContact NE-OE1 3.39Å; R59-E166 PolarHBondContact NE-OE1 3.16Å; R59-E166 IonicContact NE-OE2 3.44Å; R59-E166 PolarHBondContact NE-OE2 2.85Å; R59-E166 IonicContact NH2-OE1 3.83Å; R59-E166 IonicContact NH2-OE2 3.48Å; R59-E166 PolarHBondContact NH2-OE2 2.93Å; H60-E166 PolarHBondContact O-N 2.89Å; L61-E166 WeakPolarHBondContact CA-O 3.06Å; L61-E166 HydrophobicContact CD1-CB 3.75Å; Y62-E166 PolarHBondContact N-O 3.45Å; S164-E166 WeakPolarHBondContact CB-OE1 3.28Å; S164-E166 WeakPolarHBondContact OG-CG 3.18Å; S164-E166 PolarHBondContact OG-OE1 2.85Å; E166-R195 CarbonylContact C-O 3.56Å; E166-R195 WeakPolarHBondContact CA-O 3.49Å; E166-P239 WeakPolarHBondContact OE1-CG 3.46Å
167	I	97.7	Very high	92.6	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.7	169.8	-53.7	178.3	0	0	0	107.7	Y62 V64 L149 A152 L156 I169 L189 V194 R195 V196 S197	Y62-I167 CarbonylContact O-C 3.52Å; Y62-I167 VanDerWaalsContact O-CA 3.29Å; Y62-I167 WeakPolarHBondContact O-CA 3.33Å; V64-I167 HydrophobicContact CG2-CG2 3.94Å; L149-I167 HydrophobicContact CD2-CD1 3.74Å; L149-I167 HydrophobicContact CD2-CG2 4.28Å; A152-I167 HydrophobicContact CB-CD1 3.69Å; A152-I167 HydrophobicContact CB-CG1 4.31Å; L156-I167 HydrophobicContact CD1-CD1 4.02Å; L156-I167 HydrophobicContact CD1-CG1 3.82Å; I167-I169 HydrophobicContact CG2-CD1 4.5Å; I167-I169 HydrophobicContact CG2-CG1 3.95Å; I167-L189 HydrophobicContact CD1-CD2 4.23Å; I167-V194 HydrophobicContact CD1-CG1 3.77Å; I167-V194 HydrophobicContact CG1-CG1 3.84Å; I167-R195 PolarHBondContact N-O 3.07Å; I167-V196 HydrophobicContact CB-CG1 4.23Å; I167-V196 HydrophobicContact CB-CG2 4.14Å; I167-V196 HydrophobicContact CD1-CG2 4.17Å; I167-V196 HydrophobicContact CG1-CG2 4.44Å; I167-V196 HydrophobicContact CG2-CG1 4.42Å; I167-V196 CarbonylContact O-C 3.5Å; I167-V196 WeakPolarHBondContact O-CA 3.35Å; I167-S197 PolarHBondContact O-N 3.09Å
168	L	97.9	Very high	92.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.4	171.6	178.4	64.5	0	0	0	108.6	L61 Y62 V63 V64 F91 S197 I199 L232 H235	L61-L168 HydrophobicContact CD1-CB 3.95Å; Y62-L168 PolarHBondContact O-N 3.27Å; V63-L168 CarbonylContact C-O 3.52Å; V63-L168 VanDerWaalsContact CA-O 3.32Å; V63-L168 WeakPolarHBondContact CA-O 3.47Å; V64-L168 PolarHBondContact N-O 3.03Å; F91-L168 HydrophobicContact CZ-CD2 4.39Å; L168-S197 CarbonylContact C-O 3.56Å; L168-S197 WeakPolarHBondContact CA-O 3.33Å; L168-I199 HydrophobicContact CD1-CD1 4.06Å; L168-I199 HydrophobicContact CD1-CG1 4.17Å; L168-L232 HydrophobicContact CD2-CD2 4.36Å; L168-H235 HydrophobicContact CD2-CB 4.4Å
169	I	97.9	Very high	92.7	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.4	-179.4	-55.1	170.8	0	0	0	108.6	V64 L145 L149 I167 L171 V196 S197 V198 I199 L211	V64-I169 HydrophobicContact CB-CB 4.42Å; V64-I169 HydrophobicContact CB-CG1 4.1Å; V64-I169 HydrophobicContact CB-CG2 4.32Å; V64-I169 HydrophobicContact CG1-CG2 4.42Å; V64-I169 HydrophobicContact CG2-CG1 4.31Å; V64-I169 WeakPolarHBondContact O-CA 3.39Å; L145-I169 HydrophobicContact CD2-CD1 4.23Å; L145-I169 HydrophobicContact CD2-CG2 3.93Å; L149-I169 HydrophobicContact CD2-CD1 4.14Å; I167-I169 HydrophobicContact CG2-CD1 4.5Å; I167-I169 HydrophobicContact CG2-CG1 3.95Å; I169-L171 HydrophobicContact CG2-CB 4.23Å; I169-V196 HydrophobicContact CD1-CG1 3.57Å; I169-V196 HydrophobicContact CG1-CG1 4.2Å; I169-S197 PolarHBondContact N-O 3.38Å; I169-V198 HydrophobicContact CB-CG1 4.43Å; I169-V198 HydrophobicContact CB-CG2 4.14Å; I169-V198 HydrophobicContact CD1-CG2 4.13Å; I169-V198 CarbonylContact O-C 3.53Å; I169-V198 WeakPolarHBondContact O-CA 3.43Å; I169-I199 PolarHBondContact O-N 2.93Å; I169-L211 HydrophobicContact CD1-CD2 4.17Å
170	I	97.4	Very high	92.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	105.5	169.3	-55.6	171.7	0	0	0	106.6	V63 V64 D66 T84 M88 I199 L201 F228	V63-I170 HydrophobicContact CG1-CD1 4.34Å; V64-I170 PolarHBondContact O-N 2.87Å; D66-I170 VanDerWaalsContact CB-O 3.23Å; D66-I170 WeakPolarHBondContact CB-O 3.45Å; D66-I170 PolarHBondContact N-O 3.42Å; T84-I170 HydrophobicContact CG2-CD1 3.97Å; T84-I170 HydrophobicContact CG2-CG2 3.85Å; M88-I170 HydrophobicContact CG-CD1 3.79Å; M88-I170 HydrophobicContact SD-CD1 3.44Å; M88-I170 WeakPolarHBondContact SD-CD1 3.34Å; I170-I199 WeakPolarHBondContact CA-O 3.39Å; I170-L201 HydrophobicContact CG2-CD2 4.09Å; I170-L201 HydrophobicContact CG2-CG 4.4Å; I170-F228 HydrophobicContact CD1-CZ 4.28Å; I170-F228 HydrophobicContact CG2-CZ 4.08Å
171	L	96.5	Very high	93.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.8	-174.1	-172.1	69.9	0	0	0	109.9	D66 P143 L145 I169 S173 V198 I199 G200 L201 V205	D66-L171 HydrophobicContact CB-CD1 4.25Å; P143-L171 HydrophobicContact CB-CD1 4.28Å; P143-L171 HydrophobicContact CG-CD1 3.99Å; L145-L171 HydrophobicContact CD2-CD1 4.32Å; I169-L171 HydrophobicContact CG2-CB 4.23Å; L171-S173 WeakPolarHBondContact CG-O 3.48Å; L171-V198 HydrophobicContact CB-CG1 4.37Å; L171-I199 PolarHBondContact N-O 2.64Å; L171-G200 CarbonylContact O-C 3.35Å; L171-G200 WeakPolarHBondContact O-CA 3.42Å; L171-L201 PolarHBondContact O-N 3.21Å; L171-V205 HydrophobicContact CD2-CG2 4.24Å
172	S	94.5	Very high	93.6	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.028	19%	0.19	C	C	.	.			trans	-99.5	-41.9	174.3	178.2	0	0	0	0	111.2	D66 S70 M71 R80	D66-S172 PolarHBondContact OD2-N 3.41Å; S70-S172 WeakPolarHBondContact CB-OG 3.43Å; S70-S172 PolarHBondContact O-OG 3.36Å; S70-S172 WeakPolarHBondContact OG-CB 3.42Å; S70-S172 PolarHBondContact OG-OG 3.11Å; M71-S172 VanDerWaalsContact CE-CB 3.44Å; M71-S172 VanDerWaalsContact SD-CB 3.53Å; R80-S172 PolarHBondContact NH1-OG 3.39Å
173	S	92.7	Very high	94.1	Very high	14 Å²	14	35 Å²	35	10%	0.098	20%	0.199	C	C	.	.			trans	-67.5	144.1	-176.7	-168.5	0	0	0	0	112.5	D66 S70 P143 L171 T175	D66-S173 PolarHBondContact OD2-N 3.23Å; S70-S173 PolarHBondContact OG-N 2.91Å; S70-S173 VanDerWaalsContact OG-N 3.15Å; P143-S173 VanDerWaalsContact CG-CB 3.44Å; L171-S173 WeakPolarHBondContact CG-O 3.48Å; S173-T175 VanDerWaalsContact C-N 3.3Å; S173-T175 VanDerWaalsContact CB-O 3.32Å; S173-T175 WeakPolarHBondContact CB-O 3.42Å; S173-T175 PolarHBondContact OG-N 2.97Å; S173-T175 PolarHBondContact OG-O 3.28Å; S173-T175 PolarHBondContact OG-OG1 3Å
174	L	91.6	Very high	94.4	Very high	105 Å²	105	40.3 Å²	40.3	55%	0.55	22%	0.222	S	C	.	.	S	Bend	trans	-80.4	-16.6	172.3	-58.6	-179	0	0	0	112.6	A203	L174-A203 HydrophobicContact CD2-CB 3.56Å
175	T	91.9	Very high	94.7	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.442	22%	0.218	S	C	.	.			trans	-117.5	149.3	179.1	60.2	0	0	0	0	110.3	P143 S173	P143-T175 WeakPolarHBondContact CG-O 3.28Å; S173-T175 VanDerWaalsContact C-N 3.3Å; S173-T175 VanDerWaalsContact CB-O 3.32Å; S173-T175 WeakPolarHBondContact CB-O 3.42Å; S173-T175 PolarHBondContact OG-N 2.97Å; S173-T175 PolarHBondContact OG-O 3.28Å; S173-T175 PolarHBondContact OG-OG1 3Å
176	T	92.4	Very high	94.8	Very high	36 Å²	36	38.7 Å²	38.7	22%	0.221	21%	0.214	C	C	.	.			trans	-125.6	136.9	167	-170.4	0	0	0	0	108.9	P143 L145 D178	P143-T176 WeakPolarHBondContact O-CA 3.32Å; P143-T176 PolarHBondContact O-OG1 2.81Å; P143-T176 VanDerWaalsContact O-OG1 3.13Å; L145-T176 HydrophobicContact CD1-CG2 4.13Å; L145-T176 HydrophobicContact CG-CG2 4.4Å; L145-T176 PolarHBondContact N-OG1 2.83Å; L145-T176 VanDerWaalsContact N-OG1 3.15Å; T176-D178 PolarHBondContact OG1-OD2 3.12Å
177	C	93.8	Very high	94.8	Very high	41 Å²	41	45.5 Å²	45.5	28%	0.277	24%	0.243	S	C	.	.			trans	-116.8	90	-174	-72.4	0	0	0	0	109	K112 E142 P143	K112-C177 HydrophobicContact CD-CB 4.07Å; K112-C177 HydrophobicContact CG-CB 3.9Å; E142-C177 HydrophobicContact CB-CB 4.23Å; E142-C177 PolarHBondContact OE2-SG 2.8Å; P143-C177 PolarHBondContact O-N 2.82Å
178	D	94.3	Very high	94.7	Very high	39 Å²	39	48.3 Å²	48.3	21%	0.209	26%	0.261	C	S	.	.			trans	-105.6	144.6	-172.1	-71	-38.4	0	0	0	112.1	S144 L145 Y146 T176 A180	S144-D178 WeakPolarHBondContact CA-OD1 3.26Å; S144-D178 WeakPolarHBondContact CB-OD1 3.33Å; S144-D178 PolarHBondContact OG-OD1 3.44Å; L145-D178 PolarHBondContact N-OD1 2.85Å; Y146-D178 WeakPolarHBondContact CB-OD1 3.25Å; Y146-D178 VanDerWaalsContact N-CG 3.31Å; Y146-D178 PolarHBondContact N-OD1 3.34Å; Y146-D178 PolarHBondContact N-OD2 3.22Å; T176-D178 PolarHBondContact OG1-OD2 3.12Å; D178-A180 VanDerWaalsContact C-N 3.31Å; D178-A180 PolarHBondContact O-N 3.24Å
179	P	92.1	Very high	94.6	Very high	98 Å²	98	48.2 Å²	48.2	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	-76.8	-15.1	-178.2	31.3	-36.5	0	0	0	114	Y146	Y146-P179 HydrophobicContact CD1-CG 3.85Å; Y146-P179 HydrophobicContact CE1-CG 4.34Å
180	A	93.9	Very high	94.4	Very high	44 Å²	44	53.4 Å²	53.4	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-146.9	172.8	-172.4	0	0	0	0	0	111.6	Y146 D178 I182	Y146-A180 HydrophobicContact CD1-CB 4.47Å; Y146-A180 HydrophobicContact CD2-CB 4.1Å; Y146-A180 HydrophobicContact CE1-CB 4.05Å; Y146-A180 HydrophobicContact CE2-CB 3.64Å; D178-A180 VanDerWaalsContact C-N 3.31Å; D178-A180 PolarHBondContact O-N 3.24Å; A180-I182 PolarHBondContact O-N 3.21Å
181	N	93.7	Very high	94.2	Very high	73 Å²	73	57.7 Å²	57.7	39%	0.39	31%	0.313	S	S	.	.			trans	-70.3	110	-175.5	-174.4	0	0	0	0	112.3	Y183 E184	N181-Y183 PolarHBondContact O-N 3.44Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.39Å; N181-Y183 WeakPolarHBondContact OD1-CD2 3.42Å; N181-Y183 PolarHBondContact OD1-N 3.5Å; N181-E184 HydrophobicContact CB-CG 4.44Å; N181-E184 PolarHBondContact ND2-OE1 2.95Å; N181-E184 PolarHBondContact O-N 3.37Å
182	I	94.4	Very high	94	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-25.1	178.7	-159.2	172.5	0	0	0	113.3	L145 L149 A180 E184 L185 I186 V207	L145-I182 HydrophobicContact CB-CD1 3.83Å; L145-I182 HydrophobicContact CD1-CD1 4.19Å; L149-I182 HydrophobicContact CD1-CD1 4.45Å; A180-I182 PolarHBondContact O-N 3.21Å; I182-E184 VanDerWaalsContact C-N 3.31Å; I182-E184 PolarHBondContact O-N 3.39Å; I182-L185 WeakPolarHBondContact O-CB 3.44Å; I182-L185 PolarHBondContact O-N 3.33Å; I182-L185 VanDerWaalsContact O-N 3.13Å; I182-I186 WeakPolarHBondContact O-CG1 3.43Å; I182-I186 PolarHBondContact O-N 2.98Å; I182-V207 HydrophobicContact CD1-CG1 3.93Å; I182-V207 HydrophobicContact CG2-CG1 3.66Å
183	Y	95.3	Very high	93.9	Very high	111 Å²	111	64.4 Å²	64.4	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-68.3	-30.1	-179.7	-66.1	-77	0	0	0	112.9	N181 I186 K187 V210	N181-Y183 PolarHBondContact O-N 3.44Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.39Å; N181-Y183 WeakPolarHBondContact OD1-CD2 3.42Å; N181-Y183 PolarHBondContact OD1-N 3.5Å; Y183-I186 HydrophobicContact CD1-CD1 4.1Å; Y183-K187 PolarHBondContact O-N 3.22Å; Y183-V210 HydrophobicContact CE1-CG1 4.14Å
184	E	95.5	Very high	94	Very high	120 Å²	120	63.8 Å²	63.8	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-70.7	-37.1	172	-69.4	171.2	-157	0	0	111.1	N181 I182 I186 K187 T188	N181-E184 HydrophobicContact CB-CG 4.44Å; N181-E184 PolarHBondContact ND2-OE1 2.95Å; N181-E184 PolarHBondContact O-N 3.37Å; I182-E184 VanDerWaalsContact C-N 3.31Å; I182-E184 PolarHBondContact O-N 3.39Å; E184-I186 VanDerWaalsContact C-N 3.35Å; E184-K187 WeakPolarHBondContact O-CB 3.41Å; E184-K187 PolarHBondContact O-N 3.07Å; E184-T188 PolarHBondContact O-N 2.93Å; E184-T188 PolarHBondContact O-OG1 3.25Å
185	L	95.4	Very high	94.1	Very high	14 Å²	14	61.4 Å²	61.4	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-38.3	174.6	-165.1	62.7	0	0	0	111.8	Y146 L149 I153 I182 K187 T188 L189	Y146-L185 HydrophobicContact CD2-CB 4.31Å; Y146-L185 HydrophobicContact CD2-CD2 3.74Å; Y146-L185 HydrophobicContact CE2-CB 4.24Å; Y146-L185 HydrophobicContact CE2-CD2 4.1Å; Y146-L185 HydrophobicContact CG-CD2 4.22Å; L149-L185 HydrophobicContact CB-CD2 3.55Å; L149-L185 HydrophobicContact CB-CG 4.44Å; L149-L185 HydrophobicContact CD1-CD2 4.08Å; L149-L185 HydrophobicContact CG-CD2 4.47Å; I153-L185 HydrophobicContact CD1-CD1 3.52Å; I153-L185 HydrophobicContact CD1-CG 4.12Å; I182-L185 WeakPolarHBondContact O-CB 3.44Å; I182-L185 PolarHBondContact O-N 3.33Å; I182-L185 VanDerWaalsContact O-N 3.13Å; L185-K187 VanDerWaalsContact C-N 3.33Å; L185-K187 PolarHBondContact O-N 3.18Å; L185-T188 CarbonylContact O-C 3.58Å; L185-T188 WeakPolarHBondContact O-CA 3.38Å; L185-T188 WeakPolarHBondContact O-CB 3.29Å; L185-T188 PolarHBondContact O-N 3.46Å; L185-T188 VanDerWaalsContact O-N 3.12Å; L185-L189 HydrophobicContact CG-CD1 4.49Å; L185-L189 WeakPolarHBondContact O-CG 3.45Å; L185-L189 PolarHBondContact O-N 3.07Å
186	I	96.2	Very high	94.3	Very high	7 Å²	7	58 Å²	58	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-44.9	173.5	-68.5	168	0	0	0	110.8	I182 Y183 E184 T188 L189 K190 L211 E214	I182-I186 WeakPolarHBondContact O-CG1 3.43Å; I182-I186 PolarHBondContact O-N 2.98Å; Y183-I186 HydrophobicContact CD1-CD1 4.1Å; E184-I186 VanDerWaalsContact C-N 3.35Å; I186-T188 VanDerWaalsContact C-N 3.27Å; I186-T188 PolarHBondContact O-N 2.95Å; I186-L189 PolarHBondContact O-N 3.1Å; I186-K190 WeakPolarHBondContact O-CB 3.32Å; I186-K190 PolarHBondContact O-N 2.94Å; I186-L211 HydrophobicContact CD1-CB 4.01Å; I186-L211 HydrophobicContact CD1-CD1 4.36Å; I186-L211 HydrophobicContact CG1-CB 4.26Å; I186-L211 HydrophobicContact CG1-CD1 3.66Å; I186-E214 HydrophobicContact CG2-CB 3.55Å; I186-E214 HydrophobicContact CG2-CG 4.03Å
187	K	96.2	Very high	94.6	Very high	154 Å²	154	56.5 Å²	56.5	67%	0.67	29%	0.293	S	S	*	.	H	α-helix	trans	-60.9	-39	175.5	-68.2	176.4	-176.6	177.7	0	111.7	Y183 E184 L185 K190 S191	Y183-K187 PolarHBondContact O-N 3.22Å; E184-K187 WeakPolarHBondContact O-CB 3.41Å; E184-K187 PolarHBondContact O-N 3.07Å; L185-K187 VanDerWaalsContact C-N 3.33Å; L185-K187 PolarHBondContact O-N 3.18Å; K187-K190 PolarHBondContact O-N 3.27Å; K187-S191 PolarHBondContact O-N 3.22Å
188	T	95.6	Very high	94.8	Very high	60 Å²	60	54.6 Å²	54.6	37%	0.368	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-42.5	177.3	-55.4	0	0	0	0	111.8	E184 L185 I186 K190 S191 L192	E184-T188 PolarHBondContact O-N 2.93Å; E184-T188 PolarHBondContact O-OG1 3.25Å; L185-T188 CarbonylContact O-C 3.58Å; L185-T188 WeakPolarHBondContact O-CA 3.38Å; L185-T188 WeakPolarHBondContact O-CB 3.29Å; L185-T188 PolarHBondContact O-N 3.46Å; L185-T188 VanDerWaalsContact O-N 3.12Å; I186-T188 VanDerWaalsContact C-N 3.27Å; I186-T188 PolarHBondContact O-N 2.95Å; T188-K190 VanDerWaalsContact C-N 3.3Å; T188-K190 PolarHBondContact O-N 3.45Å; T188-S191 PolarHBondContact O-N 3.28Å; T188-S191 PolarHBondContact O-OG 3.15Å; T188-L192 HydrophobicContact CG2-CD1 4.07Å; T188-L192 WeakPolarHBondContact O-CB 3.39Å; T188-L192 VanDerWaalsContact O-CG 3.3Å; T188-L192 WeakPolarHBondContact O-CG 3.49Å; T188-L192 PolarHBondContact O-N 2.84Å
189	L	95.1	Very high	94.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-41	174.8	-75.4	162.4	0	0	0	111.7	L149 I153 I167 L185 I186 L192 K193 V194 V196 L211 T215	L149-L189 HydrophobicContact CD1-CD1 4.08Å; L149-L189 HydrophobicContact CD2-CD1 4.12Å; I153-L189 HydrophobicContact CD1-CD2 3.57Å; I153-L189 HydrophobicContact CD1-CG 3.83Å; I153-L189 HydrophobicContact CG1-CD2 3.55Å; I153-L189 HydrophobicContact CG1-CG 4.36Å; I167-L189 HydrophobicContact CD1-CD2 4.23Å; L185-L189 HydrophobicContact CG-CD1 4.49Å; L185-L189 WeakPolarHBondContact O-CG 3.45Å; L185-L189 PolarHBondContact O-N 3.07Å; I186-L189 PolarHBondContact O-N 3.1Å; L189-L192 CarbonylContact O-C 3.47Å; L189-L192 PolarHBondContact O-N 2.95Å; L189-K193 PolarHBondContact O-N 3.38Å; L189-K193 VanDerWaalsContact O-N 3.11Å; L189-V194 HydrophobicContact CD2-CB 3.77Å; L189-V194 HydrophobicContact CD2-CG1 3.8Å; L189-V194 HydrophobicContact CD2-CG2 4.28Å; L189-V194 PolarHBondContact O-N 3.36Å; L189-V196 HydrophobicContact CD1-CG2 4.07Å; L189-V196 HydrophobicContact CD2-CG2 4.28Å; L189-L211 HydrophobicContact CD1-CD1 3.86Å; L189-T215 HydrophobicContact CB-CG2 3.96Å
190	K	93.8	Very high	95.1	Very high	112 Å²	112	48.1 Å²	48.1	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-44.4	176.9	-169.1	174.7	-169.6	171	0	112.1	I186 K187 T188 L192 K193 E214	I186-K190 WeakPolarHBondContact O-CB 3.32Å; I186-K190 PolarHBondContact O-N 2.94Å; K187-K190 PolarHBondContact O-N 3.27Å; T188-K190 VanDerWaalsContact C-N 3.3Å; T188-K190 PolarHBondContact O-N 3.45Å; K190-L192 VanDerWaalsContact C-N 3.31Å; K190-L192 PolarHBondContact O-N 3.39Å; K190-K193 PolarHBondContact O-N 2.86Å; K190-E214 IonicContact NZ-OE2 3.94Å; K190-E214 PolarHBondContact NZ-OE2 3.15Å
191	S	93.2	Very high	95.1	Very high	91 Å²	91	46.3 Å²	46.3	64%	0.636	22%	0.224	S	C	*	.	H	α-helix	trans	-65.5	-36	176.9	68.8	0	0	0	0	112.1	K187 T188 K193	K187-S191 PolarHBondContact O-N 3.22Å; T188-S191 PolarHBondContact O-N 3.28Å; T188-S191 PolarHBondContact O-OG 3.15Å; S191-K193 PolarHBondContact O-N 3.13Å
192	L	92.6	Very high	94.5	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.236	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	4.1	173.5	-65.5	175.5	0	0	0	113.6	I153 K157 R165 T188 L189 K190 V194	I153-L192 HydrophobicContact CG2-CD1 3.6Å; K157-L192 HydrophobicContact CB-CD1 4.43Å; K157-L192 HydrophobicContact CB-CD2 4.45Å; R165-L192 PolarHBondContact NE-O 2.88Å; R165-L192 PolarHBondContact NH1-O 2.62Å; R165-L192 PolarHBondContact NH2-O 2.71Å; T188-L192 HydrophobicContact CG2-CD1 4.07Å; T188-L192 WeakPolarHBondContact O-CB 3.39Å; T188-L192 VanDerWaalsContact O-CG 3.3Å; T188-L192 WeakPolarHBondContact O-CG 3.49Å; T188-L192 PolarHBondContact O-N 2.84Å; L189-L192 CarbonylContact O-C 3.47Å; L189-L192 PolarHBondContact O-N 2.95Å; K190-L192 VanDerWaalsContact C-N 3.31Å; K190-L192 PolarHBondContact O-N 3.39Å; L192-V194 HydrophobicContact CB-CG2 3.92Å; L192-V194 PolarHBondContact O-N 3.17Å; L192-V194 VanDerWaalsContact O-N 3.16Å
193	K	92.3	Very high	94.3	Very high	103 Å²	103	46.6 Å²	46.6	45%	0.448	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	42.4	-177.3	-52.1	177	178.7	174.7	0	112.6	L189 K190 S191 S244	L189-K193 PolarHBondContact O-N 3.38Å; L189-K193 VanDerWaalsContact O-N 3.11Å; K190-K193 PolarHBondContact O-N 2.86Å; S191-K193 PolarHBondContact O-N 3.13Å; K193-S244 PolarHBondContact NZ-O 3.36Å
194	V	94	Very high	94.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	24%	0.242	C	C	.	.			trans	-93.6	123.9	174.6	179.9	0	0	0	0	108.4	L156 R165 I167 L189 L192 V196 T215	L156-V194 HydrophobicContact CD1-CG1 3.96Å; R165-V194 HydrophobicContact CB-CG2 4.08Å; I167-V194 HydrophobicContact CD1-CG1 3.77Å; I167-V194 HydrophobicContact CG1-CG1 3.84Å; L189-V194 HydrophobicContact CD2-CB 3.77Å; L189-V194 HydrophobicContact CD2-CG1 3.8Å; L189-V194 HydrophobicContact CD2-CG2 4.28Å; L189-V194 PolarHBondContact O-N 3.36Å; L192-V194 HydrophobicContact CB-CG2 3.92Å; L192-V194 PolarHBondContact O-N 3.17Å; L192-V194 VanDerWaalsContact O-N 3.16Å; V194-V196 HydrophobicContact CG1-CG2 4.35Å; V194-T215 WeakPolarHBondContact O-CB 3.47Å
195	R	94.4	Very high	94.1	Very high	54 Å²	54	42.3 Å²	42.3	20%	0.204	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.5	177.4	180	178.2	170.9	147.5	1.1	109.7	R165 E166 I167 G216	R165-R195 PolarHBondContact O-N 3.29Å; E166-R195 CarbonylContact C-O 3.56Å; E166-R195 WeakPolarHBondContact CA-O 3.49Å; I167-R195 PolarHBondContact N-O 3.07Å; R195-G216 PolarHBondContact NE-O 3.37Å
196	V	96.9	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	178.3	-173.5	0	0	0	0	110	L149 I167 I169 L189 V194 L211 T212 T215 G217	L149-V196 HydrophobicContact CD2-CG1 4.31Å; L149-V196 HydrophobicContact CD2-CG2 4.29Å; I167-V196 HydrophobicContact CB-CG1 4.23Å; I167-V196 HydrophobicContact CB-CG2 4.14Å; I167-V196 HydrophobicContact CD1-CG2 4.17Å; I167-V196 HydrophobicContact CG1-CG2 4.44Å; I167-V196 HydrophobicContact CG2-CG1 4.42Å; I167-V196 CarbonylContact O-C 3.5Å; I167-V196 WeakPolarHBondContact O-CA 3.35Å; I169-V196 HydrophobicContact CD1-CG1 3.57Å; I169-V196 HydrophobicContact CG1-CG1 4.2Å; L189-V196 HydrophobicContact CD1-CG2 4.07Å; L189-V196 HydrophobicContact CD2-CG2 4.28Å; V194-V196 HydrophobicContact CG1-CG2 4.35Å; V196-L211 HydrophobicContact CB-CD1 4.21Å; V196-L211 HydrophobicContact CB-CG 4.25Å; V196-L211 HydrophobicContact CG1-CD1 4.31Å; V196-L211 HydrophobicContact CG1-CD2 3.91Å; V196-L211 HydrophobicContact CG1-CG 4.05Å; V196-L211 HydrophobicContact CG2-CD1 4.27Å; V196-T212 WeakPolarHBondContact O-CG2 3.44Å; V196-T215 HydrophobicContact CB-CG2 4.41Å; V196-T215 HydrophobicContact CG2-CG2 4.13Å; V196-T215 PolarHBondContact N-OG1 3.12Å; V196-T215 PolarHBondContact O-OG1 3.4Å; V196-G217 VanDerWaalsContact O-CA 3.32Å; V196-G217 WeakPolarHBondContact O-CA 3.27Å
197	S	97.4	Very high	94	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.8	174.3	-51.8	0	0	0	0	109.8	I167 L168 I169 S218 H235	I167-S197 PolarHBondContact O-N 3.09Å; L168-S197 CarbonylContact C-O 3.56Å; L168-S197 WeakPolarHBondContact CA-O 3.33Å; I169-S197 PolarHBondContact N-O 3.38Å; S197-S218 CarbonylContact C-O 3.53Å; S197-S218 VanDerWaalsContact CA-O 3.25Å; S197-S218 WeakPolarHBondContact CA-O 3.28Å; S197-S218 WeakPolarHBondContact CB-O 3.49Å; S197-S218 PolarHBondContact OG-N 2.83Å; S197-H235 VanDerWaalsContact CB-CE1 3.43Å; S197-H235 WeakPolarHBondContact CB-CE1 3.13Å
198	V	97.9	Very high	94	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138	-175.6	-176.7	0	0	0	0	109.1	I169 L171 C208 T212 S218 Y219 H220	I169-V198 HydrophobicContact CB-CG1 4.43Å; I169-V198 HydrophobicContact CB-CG2 4.14Å; I169-V198 HydrophobicContact CD1-CG2 4.13Å; I169-V198 CarbonylContact O-C 3.53Å; I169-V198 WeakPolarHBondContact O-CA 3.43Å; L171-V198 HydrophobicContact CB-CG1 4.37Å; V198-C208 HydrophobicContact CG1-CB 4.24Å; V198-C208 HydrophobicContact CG2-CB 4.2Å; V198-T212 HydrophobicContact CB-CG2 3.95Å; V198-T212 HydrophobicContact CG2-CG2 3.52Å; V198-S218 PolarHBondContact N-O 3.16Å; V198-Y219 HydrophobicContact CB-CD2 3.68Å; V198-Y219 HydrophobicContact CB-CE2 4.01Å; V198-Y219 HydrophobicContact CB-CG 4.23Å; V198-Y219 HydrophobicContact CG1-CD2 3.76Å; V198-Y219 HydrophobicContact CG1-CE2 3.54Å; V198-Y219 WeakPolarHBondContact O-CA 3.46Å; V198-Y219 WeakPolarHBondContact O-CD2 3.49Å; V198-H220 PolarHBondContact O-N 2.86Å; V198-H220 VanDerWaalsContact O-N 3.09Å
199	I	97.7	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.4	165.4	-61.1	173	0	0	0	106.7	L168 I169 I170 L171 H220 I222 F228 L231 L232	L168-I199 HydrophobicContact CD1-CD1 4.06Å; L168-I199 HydrophobicContact CD1-CG1 4.17Å; I169-I199 PolarHBondContact O-N 2.93Å; I170-I199 WeakPolarHBondContact CA-O 3.39Å; L171-I199 PolarHBondContact N-O 2.64Å; I199-H220 CarbonylContact C-O 3.59Å; I199-H220 WeakPolarHBondContact CA-O 2.96Å; I199-I222 HydrophobicContact CG2-CG2 3.54Å; I199-F228 HydrophobicContact CD1-CE2 4.31Å; I199-F228 HydrophobicContact CG2-CD2 4.02Å; I199-F228 HydrophobicContact CG2-CE2 3.91Å; I199-L231 HydrophobicContact CD1-CB 4.04Å; I199-L231 HydrophobicContact CG2-CD1 4.25Å; I199-L232 HydrophobicContact CD1-CD2 4.03Å
200	G	96.3	Very high	94.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.4	176.4	0	0	0	0	0	110.8	L171 H220 V221 I222	L171-G200 CarbonylContact O-C 3.35Å; L171-G200 WeakPolarHBondContact O-CA 3.42Å; G200-H220 PolarHBondContact N-O 3.09Å; G200-V221 WeakPolarHBondContact O-CA 3.15Å; G200-I222 PolarHBondContact O-N 2.89Å
201	L	92.4	Very high	94.2	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-78.5	-27.5	-179.9	-61.8	-171.3	0	0	0	113.9	M71 R80 I170 L171 I222 F228	M71-L201 HydrophobicContact CE-CD1 3.69Å; M71-L201 HydrophobicContact SD-CD1 3.62Å; R80-L201 HydrophobicContact CB-CD1 3.91Å; R80-L201 HydrophobicContact CG-CD1 4.19Å; I170-L201 HydrophobicContact CG2-CD2 4.09Å; I170-L201 HydrophobicContact CG2-CG 4.4Å; L171-L201 PolarHBondContact O-N 3.21Å; L201-I222 HydrophobicContact CB-CD1 3.99Å; L201-I222 HydrophobicContact CB-CG1 4.5Å; L201-I222 HydrophobicContact CD2-CD1 3.56Å; L201-I222 HydrophobicContact CD2-CG1 4.41Å; L201-I222 HydrophobicContact CD2-CG2 4.27Å; L201-I222 HydrophobicContact CG-CD1 4.35Å; L201-I222 WeakPolarHBondContact O-CD1 2.99Å; L201-I222 WeakPolarHBondContact O-CG1 3.15Å; L201-F228 HydrophobicContact CD2-CD1 4.41Å; L201-F228 HydrophobicContact CD2-CE1 4.01Å; L201-F228 HydrophobicContact CD2-CZ 4.15Å
202	S	82.9	Confident	94.4	Very high	51 Å²	51	34.4 Å²	34.4	36%	0.357	17%	0.172	S	C	.	.	S	Bend	trans	-125.2	-53.6	-174.1	-55.5	0	0	0	0	112.7	R80	R80-S202 VanDerWaalsContact CZ-OG 3.24Å; R80-S202 PolarHBondContact NH1-OG 3.48Å; R80-S202 PolarHBondContact NH2-OG 2.72Å
203	A	88.9	Confident	94.5	Very high	41 Å²	41	41.9 Å²	41.9	34%	0.339	20%	0.197	S	C	.	.	S	Bend	trans	-144.3	172.5	-176.5	0	0	0	0	0	112.3	L174 Y219	L174-A203 HydrophobicContact CD2-CB 3.56Å; A203-Y219 PolarHBondContact O-OH 3.35Å; A203-Y219 VanDerWaalsContact O-OH 3.09Å
204	E	92.2	Very high	94.6	Very high	121 Å²	121	40.7 Å²	40.7	57%	0.565	19%	0.193	S	C	*	.			trans	-83.1	125.3	176.2	-160.9	-174.6	162.3	0	0	111	T209 Y219 V221	E204-T209 WeakPolarHBondContact CG-OG1 3.23Å; E204-T209 WeakPolarHBondContact OE1-CB 2.94Å; E204-T209 WeakPolarHBondContact OE1-CG2 3.31Å; E204-T209 PolarHBondContact OE1-OG1 3.5Å; E204-Y219 WeakPolarHBondContact CA-OH 3.48Å; E204-Y219 HydrophobicContact CB-CE1 4.25Å; E204-Y219 HydrophobicContact CG-CD1 3.74Å; E204-Y219 HydrophobicContact CG-CE1 3.3Å; E204-V221 HydrophobicContact CB-CG2 4.19Å
205	V	94.6	Very high	94.6	Very high	19 Å²	19	41.4 Å²	41.4	12%	0.115	20%	0.198	C	C	.	.			trans	-101	120.9	174.1	179.5	0	0	0	0	109.3	L171 V207 C208 T209 Y219	L171-V205 HydrophobicContact CD2-CG2 4.24Å; V205-V207 VanDerWaalsContact C-N 3.26Å; V205-V207 HydrophobicContact CG1-CB 4.44Å; V205-V207 PolarHBondContact O-N 2.85Å; V205-V207 VanDerWaalsContact O-N 3.13Å; V205-C208 HydrophobicContact CB-CB 4.26Å; V205-C208 WeakPolarHBondContact O-CA 3.35Å; V205-C208 WeakPolarHBondContact O-CB 3.41Å; V205-C208 PolarHBondContact O-N 3.18Å; V205-T209 PolarHBondContact O-N 3.3Å; V205-T209 VanDerWaalsContact O-N 3.08Å; V205-T209 PolarHBondContact O-OG1 3.15Å; V205-Y219 PolarHBondContact N-OH 3.43Å
206	R	94.9	Very high	94.4	Very high	176 Å²	176	41 Å²	41	66%	0.664	21%	0.211	S	C	*	.	H	α-helix	trans	-53.7	-40.2	-174.3	178.8	57.5	178.8	-179.3	-1.8	113.8	C208 T209 V210	R206-C208 VanDerWaalsContact C-N 3.33Å; R206-C208 PolarHBondContact O-N 2.8Å; R206-T209 WeakPolarHBondContact O-CB 3.25Å; R206-T209 PolarHBondContact O-N 2.86Å; R206-V210 WeakPolarHBondContact O-CG2 3.15Å; R206-V210 PolarHBondContact O-N 2.88Å
207	V	95.1	Very high	94.2	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.2	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-41.8	178.6	174.7	0	0	0	0	111	I182 V205 V210 L211	I182-V207 HydrophobicContact CD1-CG1 3.93Å; I182-V207 HydrophobicContact CG2-CG1 3.66Å; V205-V207 VanDerWaalsContact C-N 3.26Å; V205-V207 HydrophobicContact CG1-CB 4.44Å; V205-V207 PolarHBondContact O-N 2.85Å; V205-V207 VanDerWaalsContact O-N 3.13Å; V207-V210 PolarHBondContact O-N 2.92Å; V207-L211 WeakPolarHBondContact O-CB 3.33Å; V207-L211 PolarHBondContact O-N 3.46Å
208	C	96	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-37.2	176.2	-63.6	0	0	0	0	112.1	V198 V205 R206 V210 L211 T212 Y219	V198-C208 HydrophobicContact CG1-CB 4.24Å; V198-C208 HydrophobicContact CG2-CB 4.2Å; V205-C208 HydrophobicContact CB-CB 4.26Å; V205-C208 WeakPolarHBondContact O-CA 3.35Å; V205-C208 WeakPolarHBondContact O-CB 3.41Å; V205-C208 PolarHBondContact O-N 3.18Å; R206-C208 VanDerWaalsContact C-N 3.33Å; R206-C208 PolarHBondContact O-N 2.8Å; C208-V210 PolarHBondContact O-N 2.89Å; C208-L211 PolarHBondContact O-N 3.31Å; C208-T212 WeakPolarHBondContact O-CG2 3.35Å; C208-T212 PolarHBondContact O-N 2.91Å; C208-T212 PolarHBondContact O-OG1 3.48Å; C208-Y219 HydrophobicContact CB-CD1 4.19Å; C208-Y219 HydrophobicContact CB-CE1 3.67Å
209	T	96.1	Very high	94	Very high	25 Å²	25	44 Å²	44	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-44.3	173.3	-43.3	0	0	0	0	111.6	E204 V205 R206 T212 R213 Y219	E204-T209 WeakPolarHBondContact CG-OG1 3.23Å; E204-T209 WeakPolarHBondContact OE1-CB 2.94Å; E204-T209 WeakPolarHBondContact OE1-CG2 3.31Å; E204-T209 PolarHBondContact OE1-OG1 3.5Å; V205-T209 PolarHBondContact O-N 3.3Å; V205-T209 VanDerWaalsContact O-N 3.08Å; V205-T209 PolarHBondContact O-OG1 3.15Å; R206-T209 WeakPolarHBondContact O-CB 3.25Å; R206-T209 PolarHBondContact O-N 2.86Å; T209-T212 PolarHBondContact O-OG1 2.67Å; T209-T212 VanDerWaalsContact O-OG1 3.07Å; T209-R213 VanDerWaalsContact O-CB 3.27Å; T209-R213 WeakPolarHBondContact O-CB 3.21Å; T209-R213 PolarHBondContact O-N 2.83Å; T209-R213 VanDerWaalsContact O-N 3.09Å; T209-Y219 WeakPolarHBondContact OG1-CD1 3.48Å
210	V	96.3	Very high	93.9	Very high	33 Å²	33	47 Å²	47	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-44.3	176.8	176.4	0	0	0	0	110.8	Y183 R206 V207 C208 T212 R213 E214	Y183-V210 HydrophobicContact CE1-CG1 4.14Å; R206-V210 WeakPolarHBondContact O-CG2 3.15Å; R206-V210 PolarHBondContact O-N 2.88Å; V207-V210 PolarHBondContact O-N 2.92Å; C208-V210 PolarHBondContact O-N 2.89Å; V210-T212 PolarHBondContact O-N 3.18Å; V210-R213 PolarHBondContact O-N 2.81Å; V210-E214 HydrophobicContact CG1-CG 4.16Å; V210-E214 WeakPolarHBondContact O-CB 3.35Å; V210-E214 WeakPolarHBondContact O-CG 3.48Å; V210-E214 PolarHBondContact O-N 2.66Å
211	L	96.6	Very high	93.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-50.9	177.6	168.8	64.5	0	0	0	112.4	L149 I169 I186 L189 V196 V207 C208 T215	L149-L211 HydrophobicContact CD1-CD1 4.38Å; L149-L211 HydrophobicContact CD1-CD2 4.13Å; I169-L211 HydrophobicContact CD1-CD2 4.17Å; I186-L211 HydrophobicContact CD1-CB 4.01Å; I186-L211 HydrophobicContact CD1-CD1 4.36Å; I186-L211 HydrophobicContact CG1-CB 4.26Å; I186-L211 HydrophobicContact CG1-CD1 3.66Å; L189-L211 HydrophobicContact CD1-CD1 3.86Å; V196-L211 HydrophobicContact CB-CD1 4.21Å; V196-L211 HydrophobicContact CB-CG 4.25Å; V196-L211 HydrophobicContact CG1-CD1 4.31Å; V196-L211 HydrophobicContact CG1-CD2 3.91Å; V196-L211 HydrophobicContact CG1-CG 4.05Å; V196-L211 HydrophobicContact CG2-CD1 4.27Å; V207-L211 WeakPolarHBondContact O-CB 3.33Å; V207-L211 PolarHBondContact O-N 3.46Å; C208-L211 PolarHBondContact O-N 3.31Å; L211-T215 HydrophobicContact CD1-CG2 4.13Å; L211-T215 WeakPolarHBondContact O-CB 3.36Å; L211-T215 WeakPolarHBondContact O-CG2 3.2Å; L211-T215 PolarHBondContact O-N 3.26Å; L211-T215 VanDerWaalsContact O-N 3.09Å; L211-T215 PolarHBondContact O-OG1 2.72Å
212	T	96.1	Very high	94	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-42.4	-179.5	51.4	0	0	0	0	111.5	V196 V198 C208 T209 V210 T215 G216 G217	V196-T212 WeakPolarHBondContact O-CG2 3.44Å; V198-T212 HydrophobicContact CB-CG2 3.95Å; V198-T212 HydrophobicContact CG2-CG2 3.52Å; C208-T212 WeakPolarHBondContact O-CG2 3.35Å; C208-T212 PolarHBondContact O-N 2.91Å; C208-T212 PolarHBondContact O-OG1 3.48Å; T209-T212 PolarHBondContact O-OG1 2.67Å; T209-T212 VanDerWaalsContact O-OG1 3.07Å; V210-T212 PolarHBondContact O-N 3.18Å; T212-T215 PolarHBondContact O-N 2.88Å; T212-T215 PolarHBondContact O-OG1 2.84Å; T212-G216 PolarHBondContact O-N 2.94Å; T212-G217 PolarHBondContact O-N 3.28Å
213	R	95.2	Very high	94.4	Very high	202 Å²	202	53.7 Å²	53.7	76%	0.762	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-44.4	177.1	-175.8	178.3	177.9	177.2	-0.5	112.7	T209 V210	T209-R213 VanDerWaalsContact O-CB 3.27Å; T209-R213 WeakPolarHBondContact O-CB 3.21Å; T209-R213 PolarHBondContact O-N 2.83Å; T209-R213 VanDerWaalsContact O-N 3.09Å; V210-R213 PolarHBondContact O-N 2.81Å
214	E	95	Very high	94.4	Very high	79 Å²	79	55.3 Å²	55.3	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-71.9	-30.2	-178.6	-75.5	-61.3	146.5	0	0	113.3	I186 K190 V210	I186-E214 HydrophobicContact CG2-CB 3.55Å; I186-E214 HydrophobicContact CG2-CG 4.03Å; K190-E214 IonicContact NZ-OE2 3.94Å; K190-E214 PolarHBondContact NZ-OE2 3.15Å; V210-E214 HydrophobicContact CG1-CG 4.16Å; V210-E214 WeakPolarHBondContact O-CB 3.35Å; V210-E214 WeakPolarHBondContact O-CG 3.48Å; V210-E214 PolarHBondContact O-N 2.66Å
215	T	93.5	Very high	94.3	Very high	17 Å²	17	53.9 Å²	53.9	10%	0.104	27%	0.272	C	S	.	.	H	α-helix	trans	-93.2	-3.8	179.4	60.2	0	0	0	0	113.7	L189 V194 V196 L211 T212 G217	L189-T215 HydrophobicContact CB-CG2 3.96Å; V194-T215 WeakPolarHBondContact O-CB 3.47Å; V196-T215 HydrophobicContact CB-CG2 4.41Å; V196-T215 HydrophobicContact CG2-CG2 4.13Å; V196-T215 PolarHBondContact N-OG1 3.12Å; V196-T215 PolarHBondContact O-OG1 3.4Å; L211-T215 HydrophobicContact CD1-CG2 4.13Å; L211-T215 WeakPolarHBondContact O-CB 3.36Å; L211-T215 WeakPolarHBondContact O-CG2 3.2Å; L211-T215 PolarHBondContact O-N 3.26Å; L211-T215 VanDerWaalsContact O-N 3.09Å; L211-T215 PolarHBondContact O-OG1 2.72Å; T212-T215 PolarHBondContact O-N 2.88Å; T212-T215 PolarHBondContact O-OG1 2.84Å; T215-G217 VanDerWaalsContact C-N 3.35Å
216	G	91.1	Very high	94.1	Very high	46 Å²	46	55.6 Å²	55.6	47%	0.474	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	23.5	-180	0	0	0	0	0	114.3	R195 T212	R195-G216 PolarHBondContact NE-O 3.37Å; T212-G216 PolarHBondContact O-N 2.94Å
217	G	92.8	Very high	94	Very high	18 Å²	18	48.7 Å²	48.7	19%	0.186	26%	0.26	C	S	.	.			trans	-91.6	-167.9	170.5	0	0	0	0	0	113	V196 T212 T215	V196-G217 VanDerWaalsContact O-CA 3.32Å; V196-G217 WeakPolarHBondContact O-CA 3.27Å; T212-G217 PolarHBondContact O-N 3.28Å; T215-G217 VanDerWaalsContact C-N 3.35Å
218	S	94.2	Very high	94	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	25%	0.25	C	S	.	.			trans	-122	145.9	178.7	49.7	0	0	0	0	111.1	S197 V198 H235	S197-S218 CarbonylContact C-O 3.53Å; S197-S218 VanDerWaalsContact CA-O 3.25Å; S197-S218 WeakPolarHBondContact CA-O 3.28Å; S197-S218 WeakPolarHBondContact CB-O 3.49Å; S197-S218 PolarHBondContact OG-N 2.83Å; V198-S218 PolarHBondContact N-O 3.16Å; S218-H235 PolarHBondContact OG-CE1 3.06Å; S218-H235 VanDerWaalsContact OG-CE1 3.24Å
219	Y	96.8	Very high	93.9	Very high	32 Å²	32	52.1 Å²	52.1	13%	0.125	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	170	-168.7	-172.6	0	0	0	109.2	V198 A203 E204 V205 C208 T209 V221	V198-Y219 HydrophobicContact CB-CD2 3.68Å; V198-Y219 HydrophobicContact CB-CE2 4.01Å; V198-Y219 HydrophobicContact CB-CG 4.23Å; V198-Y219 HydrophobicContact CG1-CD2 3.76Å; V198-Y219 HydrophobicContact CG1-CE2 3.54Å; V198-Y219 WeakPolarHBondContact O-CA 3.46Å; V198-Y219 WeakPolarHBondContact O-CD2 3.49Å; A203-Y219 PolarHBondContact O-OH 3.35Å; A203-Y219 VanDerWaalsContact O-OH 3.09Å; E204-Y219 WeakPolarHBondContact CA-OH 3.48Å; E204-Y219 HydrophobicContact CB-CE1 4.25Å; E204-Y219 HydrophobicContact CG-CD1 3.74Å; E204-Y219 HydrophobicContact CG-CE1 3.3Å; V205-Y219 PolarHBondContact N-OH 3.43Å; C208-Y219 HydrophobicContact CB-CD1 4.19Å; C208-Y219 HydrophobicContact CB-CE1 3.67Å; T209-Y219 WeakPolarHBondContact OG1-CD1 3.48Å; Y219-V221 HydrophobicContact CE2-CG2 4.46Å
220	H	96.1	Very high	93.6	Very high	63 Å²	63	54 Å²	54	29%	0.292	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.5	172.9	-60.6	-65	0	0	0	110.6	V198 I199 G200 L231	V198-H220 PolarHBondContact O-N 2.86Å; V198-H220 VanDerWaalsContact O-N 3.09Å; I199-H220 CarbonylContact C-O 3.59Å; I199-H220 WeakPolarHBondContact CA-O 2.96Å; G200-H220 PolarHBondContact N-O 3.09Å; H220-L231 HydrophobicContact CB-CD1 3.66Å; H220-L231 HydrophobicContact CB-CD2 3.55Å; H220-L231 HydrophobicContact CB-CG 4.23Å
221	V	95.4	Very high	93.5	Very high	42 Å²	42	53 Å²	53	26%	0.255	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.2	172.4	-176.6	0	0	0	0	107.5	G200 E204 Y219 H227	G200-V221 WeakPolarHBondContact O-CA 3.15Å; E204-V221 HydrophobicContact CB-CG2 4.19Å; Y219-V221 HydrophobicContact CE2-CG2 4.46Å; V221-H227 PolarHBondContact O-CE1 2.86Å; V221-H227 VanDerWaalsContact O-CE1 3.31Å
222	I	94.4	Very high	93.5	Very high	15 Å²	15	53 Å²	53	8%	0.077	27%	0.272	C	S	.	.			trans	-69.9	156.9	178.8	73.8	173.2	0	0	0	110.2	L76 I199 G200 L201 F228 L231	L76-I222 HydrophobicContact CD1-CD1 3.94Å; L76-I222 HydrophobicContact CG-CD1 4.47Å; I199-I222 HydrophobicContact CG2-CG2 3.54Å; G200-I222 PolarHBondContact O-N 2.89Å; L201-I222 HydrophobicContact CB-CD1 3.99Å; L201-I222 HydrophobicContact CB-CG1 4.5Å; L201-I222 HydrophobicContact CD2-CD1 3.56Å; L201-I222 HydrophobicContact CD2-CG1 4.41Å; L201-I222 HydrophobicContact CD2-CG2 4.27Å; L201-I222 HydrophobicContact CG-CD1 4.35Å; L201-I222 WeakPolarHBondContact O-CD1 2.99Å; L201-I222 WeakPolarHBondContact O-CG1 3.15Å; I222-F228 HydrophobicContact CB-CB 4.22Å; I222-F228 HydrophobicContact CG2-CB 3.81Å; I222-F228 HydrophobicContact CG2-CD2 3.77Å; I222-F228 HydrophobicContact CG2-CG 3.83Å; I222-L231 HydrophobicContact CG2-CD1 4.15Å
223	L	90.3	Very high	93.3	Very high	144 Å²	144	54.6 Å²	54.6	75%	0.754	28%	0.28	S	S	*	.			trans	-115.7	-46.5	174.7	-64.5	173.3	0	0	0	109.6	H227	L223-H227 HydrophobicContact CB-CB 4.31Å; L223-H227 WeakPolarHBondContact CG-ND1 3.49Å; L223-H227 PolarHBondContact N-ND1 3.45Å
224	D	89.8	Confident	93.1	Very high	75 Å²	75	51 Å²	51	40%	0.401	27%	0.267	S	S	.	.	S	Bend	trans	-146.2	177.6	177.1	66.7	-17.2	0	0	0	109.9	S226 H227 F228	D224-S226 VanDerWaalsContact CG-OG 3.24Å; D224-S226 PolarHBondContact O-N 2.95Å; D224-S226 PolarHBondContact OD1-OG 2.9Å; D224-S226 PolarHBondContact OD2-OG 3.25Å; D224-H227 PolarHBondContact O-N 3.13Å; D224-H227 WeakPolarHBondContact OD1-CA 3.41Å; D224-H227 WeakPolarHBondContact OD1-CB 3.28Å; D224-H227 PolarHBondContact OD1-N 3.36Å; D224-F228 PolarHBondContact O-N 3.01Å
225	E	90.4	Very high	93	Very high	91 Å²	91	48 Å²	48	43%	0.425	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-35.6	177.6	-169.4	-179.2	164.1	0	0	112	L76 L87 F228 K229	L76-E225 HydrophobicContact CD2-CB 4.15Å; L87-E225 HydrophobicContact CD1-CG 4.11Å; E225-F228 PolarHBondContact O-N 3Å; E225-K229 PolarHBondContact O-N 3.36Å
226	S	90.6	Very high	92.9	Very high	55 Å²	55	47.2 Å²	47.2	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-68.4	-45.3	-179.1	83.3	0	0	0	0	111.8	D224 F228 K229 E230	D224-S226 VanDerWaalsContact CG-OG 3.24Å; D224-S226 PolarHBondContact O-N 2.95Å; D224-S226 PolarHBondContact OD1-OG 2.9Å; D224-S226 PolarHBondContact OD2-OG 3.25Å; S226-F228 VanDerWaalsContact C-N 3.33Å; S226-F228 PolarHBondContact O-N 3Å; S226-K229 PolarHBondContact O-N 2.77Å; S226-E230 WeakPolarHBondContact O-CG 3.4Å; S226-E230 PolarHBondContact O-N 2.93Å
227	H	92	Very high	92.7	Very high	31 Å²	31	50 Å²	50	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-37.9	173.9	-176.6	-145	0	0	0	111.4	V221 L223 D224 K229 E230 L231	V221-H227 PolarHBondContact O-CE1 2.86Å; V221-H227 VanDerWaalsContact O-CE1 3.31Å; L223-H227 HydrophobicContact CB-CB 4.31Å; L223-H227 WeakPolarHBondContact CG-ND1 3.49Å; L223-H227 PolarHBondContact N-ND1 3.45Å; D224-H227 PolarHBondContact O-N 3.13Å; D224-H227 WeakPolarHBondContact OD1-CA 3.41Å; D224-H227 WeakPolarHBondContact OD1-CB 3.28Å; D224-H227 PolarHBondContact OD1-N 3.36Å; H227-K229 VanDerWaalsContact C-N 3.34Å; H227-K229 PolarHBondContact O-N 3.18Å; H227-E230 WeakPolarHBondContact O-CB 3.26Å; H227-E230 PolarHBondContact O-N 3.11Å; H227-L231 VanDerWaalsContact O-CG 3.31Å; H227-L231 WeakPolarHBondContact O-CG 3.33Å; H227-L231 PolarHBondContact O-N 3.45Å
228	F	94.6	Very high	92.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-45	174.9	-174.2	-163.6	0	0	0	111.5	L76 T84 L87 I170 I199 L201 I222 D224 E225 S226 E230 L231 L232	L76-F228 HydrophobicContact CD1-CD1 4.23Å; T84-F228 HydrophobicContact CG2-CE1 4.34Å; T84-F228 HydrophobicContact CG2-CZ 4.15Å; L87-F228 HydrophobicContact CD1-CB 4.25Å; L87-F228 HydrophobicContact CD1-CD1 3.26Å; L87-F228 HydrophobicContact CD1-CE1 3.73Å; L87-F228 HydrophobicContact CD1-CG 3.9Å; I170-F228 HydrophobicContact CD1-CZ 4.28Å; I170-F228 HydrophobicContact CG2-CZ 4.08Å; I199-F228 HydrophobicContact CD1-CE2 4.31Å; I199-F228 HydrophobicContact CG2-CD2 4.02Å; I199-F228 HydrophobicContact CG2-CE2 3.91Å; L201-F228 HydrophobicContact CD2-CD1 4.41Å; L201-F228 HydrophobicContact CD2-CE1 4.01Å; L201-F228 HydrophobicContact CD2-CZ 4.15Å; I222-F228 HydrophobicContact CB-CB 4.22Å; I222-F228 HydrophobicContact CG2-CB 3.81Å; I222-F228 HydrophobicContact CG2-CD2 3.77Å; I222-F228 HydrophobicContact CG2-CG 3.83Å; D224-F228 PolarHBondContact O-N 3.01Å; E225-F228 PolarHBondContact O-N 3Å; S226-F228 VanDerWaalsContact C-N 3.33Å; S226-F228 PolarHBondContact O-N 3Å; F228-E230 VanDerWaalsContact C-N 3.35Å; F228-E230 PolarHBondContact O-N 3.5Å; F228-L231 PolarHBondContact O-N 3.1Å; F228-L232 HydrophobicContact CD2-CD1 4.21Å; F228-L232 HydrophobicContact CD2-CG 4.04Å; F228-L232 HydrophobicContact CE2-CD1 3.91Å; F228-L232 HydrophobicContact CE2-CD2 3.97Å; F228-L232 HydrophobicContact CE2-CG 3.79Å; F228-L232 HydrophobicContact CZ-CD1 4.22Å; F228-L232 WeakPolarHBondContact O-CG 3.45Å; F228-L232 PolarHBondContact O-N 3.06Å
229	K	93.6	Very high	91.9	Very high	105 Å²	105	50.8 Å²	50.8	46%	0.457	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-44.7	173.3	-172.2	176.9	179.9	177.7	0	111.7	L87 E225 S226 H227 L231 L232 M233	L87-K229 HydrophobicContact CD2-CB 4.23Å; L87-K229 HydrophobicContact CD2-CG 4.48Å; E225-K229 PolarHBondContact O-N 3.36Å; S226-K229 PolarHBondContact O-N 2.77Å; H227-K229 VanDerWaalsContact C-N 3.34Å; H227-K229 PolarHBondContact O-N 3.18Å; K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.1Å; K229-L232 PolarHBondContact O-N 2.96Å; K229-M233 HydrophobicContact CG-CE 4.38Å; K229-M233 VanDerWaalsContact O-CG 3.32Å; K229-M233 WeakPolarHBondContact O-CG 3.4Å; K229-M233 PolarHBondContact O-N 2.92Å
230	E	91.6	Very high	91.2	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-42.6	176.9	-71.9	-179.9	-178.2	0	0	112.3	K42 R45 S226 H227 F228 M233 Y234	K42-E230 WeakPolarHBondContact CE-OE1 3.4Å; R45-E230 IonicContact NH1-OE2 2.73Å; R45-E230 PolarHBondContact NH1-OE2 3.39Å; S226-E230 WeakPolarHBondContact O-CG 3.4Å; S226-E230 PolarHBondContact O-N 2.93Å; H227-E230 WeakPolarHBondContact O-CB 3.26Å; H227-E230 PolarHBondContact O-N 3.11Å; F228-E230 VanDerWaalsContact C-N 3.35Å; F228-E230 PolarHBondContact O-N 3.5Å; E230-M233 PolarHBondContact O-N 2.82Å; E230-Y234 PolarHBondContact O-N 2.93Å
231	L	94.4	Very high	90.1	Very high	12 Å²	12	51 Å²	51	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-40.6	177.7	-69.3	174.5	0	0	0	112.1	I199 H220 I222 H227 F228 K229 M233 Y234 H235	I199-L231 HydrophobicContact CD1-CB 4.04Å; I199-L231 HydrophobicContact CG2-CD1 4.25Å; H220-L231 HydrophobicContact CB-CD1 3.66Å; H220-L231 HydrophobicContact CB-CD2 3.55Å; H220-L231 HydrophobicContact CB-CG 4.23Å; I222-L231 HydrophobicContact CG2-CD1 4.15Å; H227-L231 VanDerWaalsContact O-CG 3.31Å; H227-L231 WeakPolarHBondContact O-CG 3.33Å; H227-L231 PolarHBondContact O-N 3.45Å; F228-L231 PolarHBondContact O-N 3.1Å; K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.1Å; L231-M233 VanDerWaalsContact C-N 3.32Å; L231-M233 PolarHBondContact O-N 2.98Å; L231-Y234 WeakPolarHBondContact O-CB 3.18Å; L231-Y234 PolarHBondContact O-N 2.97Å; L231-H235 PolarHBondContact O-CD2 2.74Å; L231-H235 PolarHBondContact O-N 2.99Å
232	L	94.8	Very high	89.1	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-44.5	172.5	-71.7	175.6	0	0	0	111	L87 M88 F91 L168 I199 F228 K229 Y234 H235 V236	L87-L232 HydrophobicContact CB-CD1 3.74Å; M88-L232 HydrophobicContact SD-CD1 4.36Å; M88-L232 HydrophobicContact SD-CD2 3.75Å; F91-L232 HydrophobicContact CB-CB 4.46Å; F91-L232 HydrophobicContact CB-CD1 4.42Å; F91-L232 HydrophobicContact CD2-CB 3.96Å; F91-L232 HydrophobicContact CD2-CD2 4.34Å; F91-L232 WeakPolarHBondContact CD2-O 3.48Å; F91-L232 VanDerWaalsContact CE2-O 3.32Å; F91-L232 WeakPolarHBondContact CE2-O 3.38Å; F91-L232 HydrophobicContact CG-CD2 4.5Å; L168-L232 HydrophobicContact CD2-CD2 4.36Å; I199-L232 HydrophobicContact CD1-CD2 4.03Å; F228-L232 HydrophobicContact CD2-CD1 4.21Å; F228-L232 HydrophobicContact CD2-CG 4.04Å; F228-L232 HydrophobicContact CE2-CD1 3.91Å; F228-L232 HydrophobicContact CE2-CD2 3.97Å; F228-L232 HydrophobicContact CE2-CG 3.79Å; F228-L232 HydrophobicContact CZ-CD1 4.22Å; F228-L232 WeakPolarHBondContact O-CG 3.45Å; F228-L232 PolarHBondContact O-N 3.06Å; K229-L232 PolarHBondContact O-N 2.96Å; L232-Y234 VanDerWaalsContact C-N 3.31Å; L232-Y234 PolarHBondContact O-N 3.32Å; L232-H235 WeakPolarHBondContact O-CA 3.17Å; L232-H235 PolarHBondContact O-N 3.16Å; L232-V236 PolarHBondContact O-N 3.36Å
233	M	92	Very high	87.8	Confident	39 Å²	39	61.7 Å²	61.7	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-69.8	-27.3	179	-62.8	-43.6	155.7	0	0	113.9	E94 K229 E230 L231 H235 V236	E94-M233 HydrophobicContact CB-CE 4.32Å; E94-M233 HydrophobicContact CB-SD 4.2Å; E94-M233 VanDerWaalsContact CD-SD 3.59Å; E94-M233 HydrophobicContact CG-CE 4.24Å; E94-M233 HydrophobicContact CG-SD 4.48Å; E94-M233 WeakPolarHBondContact OE1-CE 3.29Å; E94-M233 VanDerWaalsContact OE2-CE 3.29Å; E94-M233 WeakPolarHBondContact OE2-CE 3.11Å; K229-M233 HydrophobicContact CG-CE 4.38Å; K229-M233 VanDerWaalsContact O-CG 3.32Å; K229-M233 WeakPolarHBondContact O-CG 3.4Å; K229-M233 PolarHBondContact O-N 2.92Å; E230-M233 PolarHBondContact O-N 2.82Å; L231-M233 VanDerWaalsContact C-N 3.32Å; L231-M233 PolarHBondContact O-N 2.98Å; M233-H235 PolarHBondContact O-N 3.19Å; M233-V236 PolarHBondContact O-N 3.37Å; M233-V236 HydrophobicContact SD-CG2 3.66Å
234	Y	91.3	Very high	86.9	Confident	128 Å²	128	57.7 Å²	57.7	50%	0.502	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-37.5	168.2	174.3	-101.6	0	0	0	111.7	E230 L231 L232	E230-Y234 PolarHBondContact O-N 2.93Å; L231-Y234 WeakPolarHBondContact O-CB 3.18Å; L231-Y234 PolarHBondContact O-N 2.97Å; L232-Y234 VanDerWaalsContact C-N 3.31Å; L232-Y234 PolarHBondContact O-N 3.32Å
235	H	92.9	Very high	86.1	Confident	14 Å²	14	55.7 Å²	55.7	7%	0.065	29%	0.289	C	S	.	.	H	α-helix	trans	-82.2	-12.5	178.1	-74.1	-69.3	0	0	0	114.8	R59 F91 L168 S197 S218 L231 L232 M233 K237	R59-H235 PolarHBondContact NH2-O 2.91Å; F91-H235 HydrophobicContact CE2-CB 4.31Å; L168-H235 HydrophobicContact CD2-CB 4.4Å; S197-H235 VanDerWaalsContact CB-CE1 3.43Å; S197-H235 WeakPolarHBondContact CB-CE1 3.13Å; S218-H235 PolarHBondContact OG-CE1 3.06Å; S218-H235 VanDerWaalsContact OG-CE1 3.24Å; L231-H235 PolarHBondContact O-CD2 2.74Å; L231-H235 PolarHBondContact O-N 2.99Å; L232-H235 WeakPolarHBondContact O-CA 3.17Å; L232-H235 PolarHBondContact O-N 3.16Å; M233-H235 PolarHBondContact O-N 3.19Å; H235-K237 VanDerWaalsContact C-N 3.32Å
236	V	92.2	Very high	85.5	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-39.6	170.4	169.9	0	0	0	0	110.6	R59 F91 E94 Q98 N99 L232 M233	R59-V236 PolarHBondContact NH1-O 2.97Å; F91-V236 HydrophobicContact CD2-CG2 3.57Å; F91-V236 HydrophobicContact CE2-CG2 3.53Å; E94-V236 HydrophobicContact CB-CG2 4.48Å; Q98-V236 HydrophobicContact CB-CG1 4Å; Q98-V236 HydrophobicContact CG-CG1 4.09Å; N99-V236 PolarHBondContact ND2-O 3.31Å; L232-V236 PolarHBondContact O-N 3.36Å; M233-V236 PolarHBondContact O-N 3.37Å; M233-V236 HydrophobicContact SD-CG2 3.66Å
237	K	87.3	Confident	84.9	Confident	103 Å²	103	58.4 Å²	58.4	45%	0.448	31%	0.306	S	S	.	.	S	Bend	trans	-67.3	133.8	178.4	-65	-179.1	-179.4	178.7	0	110.2	S49 H235	S49-K237 PolarHBondContact OG-NZ 3.5Å; H235-K237 VanDerWaalsContact C-N 3.32Å
238	P	85.6	Confident	84.4	Confident	36 Å²	36	59.7 Å²	59.7	23%	0.234	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-55.8	128.6	174.6	-24.8	32.3	0	0	0	111	L55 N99	L55-P238 HydrophobicContact CB-CB 4.27Å; N99-P238 WeakPolarHBondContact OD1-CG 3.37Å
239	P	83	Confident	83.7	Confident	17 Å²	17	68.2 Å²	68.2	11%	0.11	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66	156.7	172.4	23.5	-29.5	0	0	0	111.3	E166 A241	E166-P239 WeakPolarHBondContact OE1-CG 3.46Å; P239-A241 PolarHBondContact O-N 3.49Å
240	P	82.1	Confident	83.2	Confident	74 Å²	74	65.9 Å²	65.9	48%	0.481	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-57.3	130.7	168.6	24	-32.3	0	0	0	109.9	V53	V53-P240 HydrophobicContact CB-CB 4.33Å; V53-P240 HydrophobicContact CG2-CB 3.83Å
241	A	74	Confident	82.8	Confident	24 Å²	24	74.5 Å²	74.5	20%	0.198	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-64	139.7	174.9	0	0	0	0	0	109.6	R54 P239	R54-A241 HydrophobicContact CB-CB 4.45Å; R54-A241 HydrophobicContact CG-CB 4.15Å; R54-A241 WeakPolarHBondContact O-CB 3.42Å; R54-A241 PolarHBondContact O-N 3.48Å; P239-A241 PolarHBondContact O-N 3.49Å
242	S	73.6	Confident	82.2	Confident	65 Å²	65	80 Å²	80	46%	0.455	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-61.2	143.2	168.9	179.6	0	0	0	0	109.1	S244 S245	S242-S244 PolarHBondContact O-N 3.43Å; S242-S244 PolarHBondContact OG-N 3.35Å; S242-S244 PolarHBondContact OG-OG 3.14Å; S242-S245 VanDerWaalsContact O-CB 3.29Å; S242-S245 WeakPolarHBondContact O-CB 3.47Å; S242-S245 PolarHBondContact O-N 2.96Å; S242-S245 PolarHBondContact O-OG 3.01Å
243	F	68.5	Low	81.3	Confident	217 Å²	217	83.7 Å²	83.7	95%	0.952	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.3	170.7	-74.1	-80.9	0	0	0	112.6	S245	F243-S245 VanDerWaalsContact C-N 3.33Å
244	S	70.8	Confident	80	Confident	61 Å²	61	90.9 Å²	90.9	43%	0.427	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.7	178.8	73.3	0	0	0	0	114.9	K193 S242	K193-S244 PolarHBondContact NZ-O 3.36Å; S242-S244 PolarHBondContact O-N 3.43Å; S242-S244 PolarHBondContact OG-N 3.35Å; S242-S244 PolarHBondContact OG-OG 3.14Å
245	S	72.6	Confident	78.1	Confident	32 Å²	32	99.3 Å²	99.3	22%	0.224	52%	0.516	C	S	.	.	S	Bend	trans	-75	131.2	179.4	-70	0	0	0	0	110.8	R54 S242 F243	R54-S245 PolarHBondContact NH1-O 3.47Å; S242-S245 VanDerWaalsContact O-CB 3.29Å; S242-S245 WeakPolarHBondContact O-CB 3.47Å; S242-S245 PolarHBondContact O-N 2.96Å; S242-S245 PolarHBondContact O-OG 3.01Å; F243-S245 VanDerWaalsContact C-N 3.33Å
246	E	77.9	Confident	77.4	Confident	111 Å²	111	103.6 Å²	103.6	52%	0.519	54%	0.539	S	S	.	.			trans	-63.5	143.5	-178.5	-69.7	174.8	-177.2	0	0	110.9	R54 H162	R54-E246 PolarHBondContact NH2-O 3.36Å; H162-E246 HydrophobicContact CB-CB 4.39Å
247	S	79.2	Confident	76.6	Confident	93 Å²	93	108.9 Å²	108.9	65%	0.65	57%	0.566	S	S	*	*			trans	-111.9	99.8	174.6	-38.4	0	0	0	0	106.9	R54	R54-S247 PolarHBondContact NH1-OG 3.17Å; R54-S247 VanDerWaalsContact NH2-CB 3.34Å; R54-S247 PolarHBondContact NH2-OG 3.34Å
248	S	80.2	Confident	76	Confident	57 Å²	57	109.3 Å²	109.3	40%	0.399	57%	0.573	S	S	.	*			trans	-121.7	139.3	176.7	61.8	0	0	0	0	110.6	H162	H162-S248 WeakPolarHBondContact CB-OG 3.35Å; H162-S248 PolarHBondContact ND1-OG 3.3Å
249	L	80.1	Confident	75.5	Confident	179 Å²	179	113.6 Å²	113.6	94%	0.937	59%	0.593	S	S	*	*			trans	-72.3	129.7	169.3	-170.4	71.4	0	0	0	108.9
250	I	83.6	Confident	75	Confident	56 Å²	56	119.6 Å²	119.6	29%	0.287	62%	0.623	S	S	.	*			trans	-101.5	134.7	179.7	-55.1	-172.9	0	0	0	109.2	M58 H162 M252	M58-I250 HydrophobicContact CE-CD1 3.19Å; M58-I250 HydrophobicContact CE-CG1 4.21Å; M58-I250 HydrophobicContact SD-CD1 3.25Å; M58-I250 WeakPolarHBondContact SD-CD1 3.16Å; H162-I250 WeakPolarHBondContact NE2-CD1 3.38Å; I250-M252 HydrophobicContact CG2-SD 4.33Å; I250-M252 PolarHBondContact O-N 3.49Å; I250-M252 VanDerWaalsContact O-N 3.09Å
251	R	83.4	Confident	74.5	Confident	244 Å²	244	122.7 Å²	122.7	92%	0.921	63%	0.632	S	S	*	*			trans	-73.4	98.6	168.2	-172.2	177.3	-177.3	173.9	1.1	109
252	M	81.6	Confident	74.6	Confident	128 Å²	128	129.7 Å²	129.7	63%	0.631	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-77.3	132.1	170.5	-64.3	-65.6	-92.9	0	0	108.8	I250 Q254	I250-M252 HydrophobicContact CG2-SD 4.33Å; I250-M252 PolarHBondContact O-N 3.49Å; I250-M252 VanDerWaalsContact O-N 3.09Å; M252-Q254 PolarHBondContact O-N 3.33Å
253	G	76.2	Confident	74.6	Confident	78 Å²	78	134.7 Å²	134.7	80%	0.804	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64.1	120.9	173.1	0	0	0	0	0	109.4
254	Q	65.1	Low	75.1	Confident	189 Å²	189	127.8 Å²	127.8	88%	0.883	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-92.2	130.9	162.9	-68.8	-172.6	-24	0	0	106.8	M252	M252-Q254 PolarHBondContact O-N 3.33Å
255	Y	51.1	Low	75.5	Confident	306 Å²	306	133.9 Å²	133.9	100%	1.2	68%	0.678	S	S	*	*			trans	-62.7	0	166.4	-75.8	-81.8	0	0	0	110

Retrieved 255 of 255 residues in 179.2 ms (Link to these results)

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