Z4YLR9_MOUSE Loading...

Solute carrier family 25 (mitochondrial carrier, phosphate carrier), member 25

AlphaFold DB , UniProt , Accession Z4YLR9, Species MOUSE (Mus musculus, Mouse), Gene Slc25a25, Length 263 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.5	Very low	45.5	Very low	242 Å²	242	135.1 Å²	135.1	100%	1.192	78%	0.784	S	S	*	*				0	100.2	0	-74.3	176.7	171.4	0	0	108.5
2	T	40.6	Very low	45.5	Very low	140 Å²	140	127.4 Å²	127.4	86%	0.859	76%	0.755	S	S	*	*			trans	-158.4	84.2	162.4	38.2	0	0	0	0	107.5	S4	T2-S4 PolarHBondContact O-N 3.04Å
3	G	40.8	Very low	45.5	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-71.7	123.7	174.6	0	0	0	0	0	110.3
4	S	42.3	Very low	45.9	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-65.2	130.8	171.2	-39.6	0	0	0	0	109.3	T2 K6	T2-S4 PolarHBondContact O-N 3.04Å; S4-K6 PolarHBondContact O-N 3.18Å
5	P	44.1	Very low	45.5	Very low	115 Å²	115	126.5 Å²	126.5	75%	0.747	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-69.1	124.1	179.7	28.2	-33.4	0	0	0	109.7	L7	P5-L7 PolarHBondContact O-N 3.09Å
6	K	51	Low	45.4	Very low	191 Å²	191	124.9 Å²	124.9	83%	0.83	70%	0.702	S	S	*	*			trans	-62.2	107.5	168.2	-72.9	-176.3	178.6	-179.3	0	107.8	S4 F8	S4-K6 PolarHBondContact O-N 3.18Å; K6-F8 PolarHBondContact O-N 3.21Å
7	L	47.7	Very low	45.7	Very low	164 Å²	164	123.6 Å²	123.6	86%	0.859	69%	0.693	S	S	*	*			trans	-71	96.6	176.6	-148.8	85.1	0	0	0	107.8	P5	P5-L7 PolarHBondContact O-N 3.09Å
8	F	49.7	Very low	45.7	Very low	178 Å²	178	121.8 Å²	121.8	78%	0.781	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-62	132.3	166.4	-73.3	-88.2	0	0	0	108	K6 S10	K6-F8 PolarHBondContact O-N 3.21Å; F8-S10 PolarHBondContact O-N 2.72Å
9	P	46.5	Very low	45.8	Very low	81 Å²	81	119.3 Å²	119.3	53%	0.526	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-58.8	134.7	178.2	24	-31.7	0	0	0	109.1	V14	P9-V14 HydrophobicContact CB-CG2 4.02Å; P9-V14 HydrophobicContact CG-CG2 3.85Å
10	S	44.7	Very low	46.1	Very low	69 Å²	69	120.4 Å²	120.4	48%	0.483	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-59.6	144.2	176.8	60.8	0	0	0	0	109.5	F8 G12 K13	F8-S10 PolarHBondContact O-N 2.72Å; S10-G12 PolarHBondContact O-N 2.8Å; S10-K13 PolarHBondContact O-N 3.34Å
11	P	46.4	Very low	46.3	Very low	116 Å²	116	117.1 Å²	117.1	75%	0.753	65%	0.652	S	S	*	*	H	α-helix	trans	-52	-30.6	-175	-27.9	34	0	0	0	114	Y15	P11-Y15 PolarHBondContact O-N 3.09Å
12	G	46	Very low	46.1	Very low	43 Å²	43	110 Å²	110	44%	0.443	62%	0.617	S	S	.	*	H	α-helix	trans	-69.7	-30.2	177	0	0	0	0	0	115.1	S10 L16	S10-G12 PolarHBondContact O-N 2.8Å; G12-L16 PolarHBondContact O-N 3.24Å
13	K	45.1	Very low	46.1	Very low	136 Å²	136	108.8 Å²	108.8	59%	0.591	60%	0.602	S	S	*	*	H	α-helix	trans	-72.5	-41.2	176.3	-87.9	-168.3	173.1	-164.2	0	111.8	S10 Y15 L16 D17	S10-K13 PolarHBondContact O-N 3.34Å; K13-Y15 VanDerWaalsContact C-N 3.28Å; K13-Y15 PolarHBondContact O-N 3.24Å; K13-L16 PolarHBondContact O-N 2.74Å; K13-D17 WeakPolarHBondContact O-CB 3.32Å; K13-D17 PolarHBondContact O-N 3.13Å
14	V	51.1	Low	46.2	Very low	64 Å²	64	112.2 Å²	112.2	39%	0.388	60%	0.595	S	S	.	*	H	α-helix	trans	-61.3	-40.2	176.6	-178.4	0	0	0	0	110.8	P9 D17 I18	P9-V14 HydrophobicContact CB-CG2 4.02Å; P9-V14 HydrophobicContact CG-CG2 3.85Å; V14-D17 PolarHBondContact O-N 3.06Å; V14-I18 HydrophobicContact CG1-CD1 3.9Å; V14-I18 WeakPolarHBondContact O-CB 3.1Å; V14-I18 WeakPolarHBondContact O-CD1 3.46Å; V14-I18 VanDerWaalsContact O-CG1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.77Å
15	Y	39.5	Very low	46.2	Very low	169 Å²	169	112.8 Å²	112.8	66%	0.663	59%	0.585	S	S	*	*	H	α-helix	trans	-68.4	-41.1	179.2	-150.2	-93.7	0	0	0	112.8	P11 K13 I18 I19	P11-Y15 PolarHBondContact O-N 3.09Å; K13-Y15 VanDerWaalsContact C-N 3.28Å; K13-Y15 PolarHBondContact O-N 3.24Å; Y15-I18 PolarHBondContact O-N 3.35Å; Y15-I19 HydrophobicContact CD1-CD1 3.92Å; Y15-I19 HydrophobicContact CD1-CG1 4.4Å; Y15-I19 HydrophobicContact CE1-CD1 3.76Å; Y15-I19 HydrophobicContact CE1-CG1 4.43Å; Y15-I19 WeakPolarHBondContact O-CG1 3.4Å; Y15-I19 PolarHBondContact O-N 2.78Å
16	L	44.6	Very low	45.8	Very low	100 Å²	100	114 Å²	114	52%	0.524	58%	0.581	S	S	.	*	H	α-helix	trans	-66.4	-40.1	174.3	-90.5	154.9	0	0	0	111.9	G12 K13 I18 I19 F20	G12-L16 PolarHBondContact O-N 3.24Å; K13-L16 PolarHBondContact O-N 2.74Å; L16-I18 VanDerWaalsContact C-N 3.35Å; L16-I19 PolarHBondContact O-N 2.97Å; L16-F20 HydrophobicContact CD2-CD2 4.4Å; L16-F20 HydrophobicContact CD2-CE2 4.19Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 WeakPolarHBondContact O-CD2 3.33Å; L16-F20 PolarHBondContact O-N 3.28Å
17	D	50.1	Low	45.2	Very low	104 Å²	104	112.2 Å²	112.2	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-67.1	-36.1	177.7	-69.5	-24.3	0	0	0	111.7	K13 V14 A21	K13-D17 WeakPolarHBondContact O-CB 3.32Å; K13-D17 PolarHBondContact O-N 3.13Å; V14-D17 PolarHBondContact O-N 3.06Å; D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 3.06Å
18	I	45.6	Very low	44.5	Very low	90 Å²	90	112.4 Å²	112.4	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-67.3	-45.1	172.5	-69.4	166.1	0	0	0	110.8	V14 Y15 L16 F20 A21 L22	V14-I18 HydrophobicContact CG1-CD1 3.9Å; V14-I18 WeakPolarHBondContact O-CB 3.1Å; V14-I18 WeakPolarHBondContact O-CD1 3.46Å; V14-I18 VanDerWaalsContact O-CG1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.77Å; Y15-I18 PolarHBondContact O-N 3.35Å; L16-I18 VanDerWaalsContact C-N 3.35Å; I18-F20 PolarHBondContact O-N 2.82Å; I18-A21 PolarHBondContact O-N 3.34Å; I18-L22 HydrophobicContact CG2-CD1 3.75Å; I18-L22 HydrophobicContact CG2-CG 4.24Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 VanDerWaalsContact O-CG 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 2.89Å
19	I	47.8	Very low	44.1	Very low	75 Å²	75	107.2 Å²	107.2	39%	0.385	55%	0.548	S	S	.	.	H	α-helix	trans	-64.5	-41	176.9	-72.1	-172.2	0	0	0	111.2	Y15 L16 L22 Q23	Y15-I19 HydrophobicContact CD1-CD1 3.92Å; Y15-I19 HydrophobicContact CD1-CG1 4.4Å; Y15-I19 HydrophobicContact CE1-CD1 3.76Å; Y15-I19 HydrophobicContact CE1-CG1 4.43Å; Y15-I19 WeakPolarHBondContact O-CG1 3.4Å; Y15-I19 PolarHBondContact O-N 2.78Å; L16-I19 PolarHBondContact O-N 2.97Å; I19-L22 PolarHBondContact O-N 2.86Å; I19-Q23 WeakPolarHBondContact O-CB 3.37Å; I19-Q23 PolarHBondContact O-N 3.17Å
20	F	51.8	Low	43.8	Very low	140 Å²	140	111.5 Å²	111.5	61%	0.614	56%	0.561	S	S	*	*	H	α-helix	trans	-66.6	-36	174.2	-92.7	-74.8	0	0	0	112.2	L16 I18 K24	L16-F20 HydrophobicContact CD2-CD2 4.4Å; L16-F20 HydrophobicContact CD2-CE2 4.19Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 WeakPolarHBondContact O-CD2 3.33Å; L16-F20 PolarHBondContact O-N 3.28Å; I18-F20 PolarHBondContact O-N 2.82Å; F20-K24 WeakPolarHBondContact O-CB 3.2Å; F20-K24 PolarHBondContact O-N 3.29Å
21	A	50.3	Low	43.5	Very low	53 Å²	53	113.4 Å²	113.4	44%	0.438	57%	0.57	S	S	.	*	H	α-helix	trans	-67	-45.3	174.8	0	0	0	0	0	111.6	D17 I18 K24 E25	D17-A21 WeakPolarHBondContact O-CB 3.29Å; D17-A21 PolarHBondContact O-N 3.06Å; I18-A21 PolarHBondContact O-N 3.34Å; A21-K24 CarbonylContact O-C 3.49Å; A21-K24 PolarHBondContact O-N 2.92Å; A21-E25 WeakPolarHBondContact O-CB 3.21Å; A21-E25 PolarHBondContact O-N 3.4Å
22	L	41.5	Very low	43.4	Very low	91 Å²	91	115 Å²	115	48%	0.476	57%	0.565	S	S	.	*	H	α-helix	trans	-65.6	-39.8	176.1	-71.1	171.5	0	0	0	111.6	I18 I19 K24 E25 Q26	I18-L22 HydrophobicContact CG2-CD1 3.75Å; I18-L22 HydrophobicContact CG2-CG 4.24Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 VanDerWaalsContact O-CG 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 2.89Å; I19-L22 PolarHBondContact O-N 2.86Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-E25 PolarHBondContact O-N 2.97Å; L22-Q26 VanDerWaalsContact O-CB 3.24Å; L22-Q26 WeakPolarHBondContact O-CB 3.1Å; L22-Q26 PolarHBondContact O-N 3.46Å
23	Q	42.4	Very low	44	Very low	115 Å²	115	118.4 Å²	118.4	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-75.1	-26.4	177.8	-162.6	152.5	1.8	0	0	112.4	I19 K27	I19-Q23 WeakPolarHBondContact O-CB 3.37Å; I19-Q23 PolarHBondContact O-N 3.17Å; Q23-K27 WeakPolarHBondContact O-CB 3.33Å; Q23-K27 PolarHBondContact O-N 3.14Å
24	K	42.7	Very low	44.6	Very low	152 Å²	152	115 Å²	115	66%	0.661	56%	0.561	S	S	*	*	H	α-helix	trans	-75.8	-37.6	169.5	-173.5	177.8	-179.8	-178	0	111.4	F20 A21 L22 R28	F20-K24 WeakPolarHBondContact O-CB 3.2Å; F20-K24 PolarHBondContact O-N 3.29Å; A21-K24 CarbonylContact O-C 3.49Å; A21-K24 PolarHBondContact O-N 2.92Å; L22-K24 VanDerWaalsContact C-N 3.34Å; K24-R28 WeakPolarHBondContact O-CB 3.41Å; K24-R28 PolarHBondContact O-N 3.48Å
25	E	41.6	Very low	45.6	Very low	123 Å²	123	115 Å²	115	58%	0.575	56%	0.563	S	S	*	*	H	α-helix	trans	-62.1	-47.2	168.8	-96.8	-178.3	157.2	0	0	110.4	A21 L22 K27 R28 S29	A21-E25 WeakPolarHBondContact O-CB 3.21Å; A21-E25 PolarHBondContact O-N 3.4Å; L22-E25 PolarHBondContact O-N 2.97Å; E25-K27 PolarHBondContact O-N 2.89Å; E25-R28 CarbonylContact O-C 3.48Å; E25-R28 WeakPolarHBondContact O-CA 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.27Å; E25-R28 PolarHBondContact O-N 2.75Å; E25-S29 PolarHBondContact O-N 3.29Å; E25-S29 PolarHBondContact O-OG 2.81Å
26	Q	36.7	Very low	47.1	Very low	139 Å²	139	110.2 Å²	110.2	65%	0.65	55%	0.552	S	S	*	*	H	α-helix	trans	-68.2	-34.2	-179.3	-162.3	153.2	5.8	0	0	113	L22 Q30	L22-Q26 VanDerWaalsContact O-CB 3.24Å; L22-Q26 WeakPolarHBondContact O-CB 3.1Å; L22-Q26 PolarHBondContact O-N 3.46Å; Q26-Q30 WeakPolarHBondContact O-CG 3.48Å; Q26-Q30 PolarHBondContact O-N 3.41Å
27	K	36.7	Very low	48.6	Very low	154 Å²	154	108.7 Å²	108.7	67%	0.67	55%	0.554	S	S	*	*	H	α-helix	trans	-72.9	-27.9	167.8	-87.2	-171.8	172.5	-175.6	0	113.4	Q23 E25 V31	Q23-K27 WeakPolarHBondContact O-CB 3.33Å; Q23-K27 PolarHBondContact O-N 3.14Å; E25-K27 PolarHBondContact O-N 2.89Å; K27-V31 VanDerWaalsContact O-CG2 3.23Å; K27-V31 WeakPolarHBondContact O-CG2 3.29Å
28	R	33.6	Very low	50.1	Low	168 Å²	168	108.6 Å²	108.6	63%	0.634	55%	0.55	S	S	*	*	H	α-helix	trans	-75.7	-36	175.3	-170.6	-178.9	-132.5	-176.6	-1	110.9	K24 E25 V31 F32	K24-R28 WeakPolarHBondContact O-CB 3.41Å; K24-R28 PolarHBondContact O-N 3.48Å; E25-R28 CarbonylContact O-C 3.48Å; E25-R28 WeakPolarHBondContact O-CA 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.27Å; E25-R28 PolarHBondContact O-N 2.75Å; R28-V31 PolarHBondContact O-N 3.1Å; R28-F32 HydrophobicContact CG-CD2 4.15Å; R28-F32 PolarHBondContact O-N 3.3Å
29	S	41.7	Very low	51.8	Low	69 Å²	69	107.6 Å²	107.6	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-63.8	-41	172.7	-59.5	0	0	0	0	111.9	E25 V31	E25-S29 PolarHBondContact O-N 3.29Å; E25-S29 PolarHBondContact O-OG 2.81Å; S29-V31 PolarHBondContact O-N 2.83Å
30	Q	40.8	Very low	53.5	Low	171 Å²	171	105 Å²	105	80%	0.799	53%	0.529	S	S	*	.	H	α-helix	trans	-70.1	-12.7	176.4	-74.4	-92.9	-21.8	0	0	114.7	Q26	Q26-Q30 WeakPolarHBondContact O-CG 3.48Å; Q26-Q30 PolarHBondContact O-N 3.41Å
31	V	38.6	Very low	55.1	Low	110 Å²	110	100.5 Å²	100.5	67%	0.667	51%	0.513	S	S	*	.	H	α-helix	trans	-109.2	-7.7	-175.6	174.7	0	0	0	0	112.5	K27 R28 S29	K27-V31 VanDerWaalsContact O-CG2 3.23Å; K27-V31 WeakPolarHBondContact O-CG2 3.29Å; R28-V31 PolarHBondContact O-N 3.1Å; S29-V31 PolarHBondContact O-N 2.83Å
32	F	42.7	Very low	56.7	Low	149 Å²	149	104.6 Å²	104.6	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-131	10.5	-173.9	-81.2	-81.7	0	0	0	115.3	R28 L34	R28-F32 HydrophobicContact CG-CD2 4.15Å; R28-F32 PolarHBondContact O-N 3.3Å; F32-L34 VanDerWaalsContact C-N 3.31Å; F32-L34 PolarHBondContact O-N 3.24Å
33	D	58.5	Low	58.7	Low	115 Å²	115	103.2 Å²	103.2	62%	0.615	53%	0.525	S	S	*	.			trans	-78.4	87.2	168.2	-87.2	-40.8	0	0	0	109.9	K39	D33-K39 IonicContact OD1-NZ 3.28Å; D33-K39 PolarHBondContact OD1-NZ 2.91Å
34	L	59.4	Low	60.7	Low	63 Å²	63	98 Å²	98	33%	0.33	50%	0.501	S	S	.	.			trans	-51.4	140.5	165.3	-67.1	170.4	0	0	0	109	F32 E38 K39	F32-L34 VanDerWaalsContact C-N 3.31Å; F32-L34 PolarHBondContact O-N 3.24Å; L34-E38 HydrophobicContact CB-CB 3.99Å; L34-E38 HydrophobicContact CD2-CB 4.47Å; L34-E38 WeakPolarHBondContact CD2-OE2 3.3Å; L34-K39 HydrophobicContact CB-CG 3.78Å; L34-K39 VanDerWaalsContact O-CE 3.23Å; L34-K39 WeakPolarHBondContact O-CE 3.39Å
35	P	70.1	Confident	62.9	Low	66 Å²	66	91.8 Å²	91.8	43%	0.429	48%	0.475	S	S	.	.			trans	-47.4	147.6	169.2	-26.6	33.3	0	0	0	111.3	A37 E38 K39	P35-A37 PolarHBondContact O-N 3.38Å; P35-A37 VanDerWaalsContact O-N 3.07Å; P35-E38 HydrophobicContact CB-CG 4.47Å; P35-E38 WeakPolarHBondContact CD-OE2 3.39Å; P35-E38 HydrophobicContact CG-CG 4.41Å; P35-E38 PolarHBondContact O-N 2.97Å; P35-K39 PolarHBondContact O-N 2.85Å; P35-K39 VanDerWaalsContact O-N 3.07Å
36	P	72.1	Confident	65.1	Low	68 Å²	68	92 Å²	92	44%	0.442	47%	0.474	S	S	.	.	H	α-helix	trans	-50.7	-39.5	-177.9	-30.6	35.9	0	0	0	114.1	K39 I40 P132	P36-K39 PolarHBondContact O-N 3.35Å; P36-I40 VanDerWaalsContact O-CG1 3.32Å; P36-I40 WeakPolarHBondContact O-CG1 3.27Å; P36-I40 PolarHBondContact O-N 3.03Å; P36-I40 VanDerWaalsContact O-N 3.07Å; P36-P132 HydrophobicContact CB-CG 4.02Å
37	A	76.8	Confident	67.6	Low	67 Å²	67	90.1 Å²	90.1	55%	0.554	47%	0.469	S	S	*	.	H	α-helix	trans	-63.1	-41.8	176.7	0	0	0	0	0	112.8	P35 I40 V41	P35-A37 PolarHBondContact O-N 3.38Å; P35-A37 VanDerWaalsContact O-N 3.07Å; A37-I40 PolarHBondContact O-N 3.26Å; A37-V41 WeakPolarHBondContact O-CG2 3.49Å; A37-V41 PolarHBondContact O-N 2.9Å
38	E	81.5	Confident	70	Confident	103 Å²	103	89.8 Å²	89.8	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-68.5	-35.3	177.9	-72.2	-179.9	-163	0	0	111.6	L34 P35 V41 Q42	L34-E38 HydrophobicContact CB-CB 3.99Å; L34-E38 HydrophobicContact CD2-CB 4.47Å; L34-E38 WeakPolarHBondContact CD2-OE2 3.3Å; P35-E38 HydrophobicContact CB-CG 4.47Å; P35-E38 WeakPolarHBondContact CD-OE2 3.39Å; P35-E38 HydrophobicContact CG-CG 4.41Å; P35-E38 PolarHBondContact O-N 2.97Å; E38-V41 PolarHBondContact O-N 3.47Å; E38-Q42 VanDerWaalsContact O-CB 3.27Å; E38-Q42 WeakPolarHBondContact O-CB 3.42Å; E38-Q42 PolarHBondContact O-N 3.49Å
39	K	80.5	Confident	72.6	Confident	69 Å²	69	85.8 Å²	85.8	30%	0.3	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-40.1	172.6	-68.1	-175.1	175.3	177.7	0	112.1	D33 L34 P35 P36 A43 P132	D33-K39 IonicContact OD1-NZ 3.28Å; D33-K39 PolarHBondContact OD1-NZ 2.91Å; L34-K39 HydrophobicContact CB-CG 3.78Å; L34-K39 VanDerWaalsContact O-CE 3.23Å; L34-K39 WeakPolarHBondContact O-CE 3.39Å; P35-K39 PolarHBondContact O-N 2.85Å; P35-K39 VanDerWaalsContact O-N 3.07Å; P36-K39 PolarHBondContact O-N 3.35Å; K39-A43 VanDerWaalsContact O-CB 3.29Å; K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 3.3Å; K39-P132 HydrophobicContact CB-CB 4.02Å; K39-P132 HydrophobicContact CB-CG 3.92Å; K39-P132 HydrophobicContact CD-CG 4.13Å
40	I	83.2	Confident	74.6	Confident	20 Å²	20	85 Å²	85	10%	0.103	47%	0.468	C	S	.	.	H	α-helix	trans	-65.2	-47.8	177.3	-68.4	166.7	0	0	0	110.5	P36 A37 A43 G44 L52 Y60 P132	P36-I40 VanDerWaalsContact O-CG1 3.32Å; P36-I40 WeakPolarHBondContact O-CG1 3.27Å; P36-I40 PolarHBondContact O-N 3.03Å; P36-I40 VanDerWaalsContact O-N 3.07Å; A37-I40 PolarHBondContact O-N 3.26Å; I40-A43 PolarHBondContact O-N 3.09Å; I40-G44 PolarHBondContact O-N 3.09Å; I40-L52 HydrophobicContact CG2-CD2 3.97Å; I40-Y60 HydrophobicContact CB-CE1 4.36Å; I40-Y60 HydrophobicContact CG1-CE1 4.04Å; I40-Y60 HydrophobicContact CG2-CD1 3.9Å; I40-Y60 HydrophobicContact CG2-CE1 3.69Å; I40-Y60 HydrophobicContact CG2-CG 4.44Å; I40-P132 HydrophobicContact CG1-CB 4.12Å; I40-P132 HydrophobicContact CG1-CG 4.48Å
41	V	84.6	Confident	76.7	Confident	46 Å²	46	83.2 Å²	83.2	28%	0.279	46%	0.46	S	S	.	.	H	α-helix	trans	-59.3	-50.8	177	173.9	0	0	0	0	109.7	A37 E38 A43 G44 D45 L52	A37-V41 WeakPolarHBondContact O-CG2 3.49Å; A37-V41 PolarHBondContact O-N 2.9Å; E38-V41 PolarHBondContact O-N 3.47Å; V41-A43 PolarHBondContact O-N 3.01Å; V41-A43 VanDerWaalsContact O-N 3.17Å; V41-G44 PolarHBondContact O-N 2.94Å; V41-G44 VanDerWaalsContact O-N 3.14Å; V41-D45 WeakPolarHBondContact O-CB 3.41Å; V41-D45 PolarHBondContact O-N 3.28Å; V41-L52 HydrophobicContact CG2-CB 4.2Å
42	Q	85	Confident	79.1	Confident	138 Å²	138	80 Å²	80	65%	0.645	44%	0.439	S	S	*	.	H	α-helix	trans	-59.2	-32.4	179.7	-173.2	178.1	38.1	0	0	113.7	E38	E38-Q42 VanDerWaalsContact O-CB 3.27Å; E38-Q42 WeakPolarHBondContact O-CB 3.42Å; E38-Q42 PolarHBondContact O-N 3.49Å
43	A	84.3	Confident	81.3	Confident	63 Å²	63	76.6 Å²	76.6	52%	0.521	43%	0.427	S	S	.	.	H	α-helix	trans	-84.6	-25.3	179.8	0	0	0	0	0	113.6	K39 I40 V41 Y60	K39-A43 VanDerWaalsContact O-CB 3.29Å; K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 3.3Å; I40-A43 PolarHBondContact O-N 3.09Å; V41-A43 PolarHBondContact O-N 3.01Å; V41-A43 VanDerWaalsContact O-N 3.17Å; A43-Y60 HydrophobicContact CB-CD2 4.02Å; A43-Y60 HydrophobicContact CB-CE2 3.74Å
44	G	84.1	Confident	82.8	Confident	4 Å²	4	79 Å²	79	4%	0.041	43%	0.432	C	S	.	.	H	α-helix	trans	-98.5	-27.6	-175.9	0	0	0	0	0	114.7	I40 V41 K46	I40-G44 PolarHBondContact O-N 3.09Å; V41-G44 PolarHBondContact O-N 2.94Å; V41-G44 VanDerWaalsContact O-N 3.14Å; G44-K46 PolarHBondContact O-N 2.87Å; G44-K46 VanDerWaalsContact O-N 3.09Å
45	D	88.8	Confident	84.4	Confident	22 Å²	22	83.4 Å²	83.4	12%	0.118	45%	0.452	C	S	.	.			trans	-66.6	99.7	-180	178.3	4.1	0	0	0	110.4	V41 L48 D49 G50	V41-D45 WeakPolarHBondContact O-CB 3.41Å; V41-D45 PolarHBondContact O-N 3.28Å; D45-L48 WeakPolarHBondContact OD1-CA 3.41Å; D45-L48 PolarHBondContact OD1-N 3.48Å; D45-L48 WeakPolarHBondContact OD2-CA 3.11Å; D45-D49 PolarHBondContact OD1-N 3.15Å; D45-G50 VanDerWaalsContact OD2-CA 3.29Å; D45-G50 WeakPolarHBondContact OD2-CA 3.45Å; D45-G50 PolarHBondContact OD2-N 3.27Å
46	K	88.3	Confident	85.3	Confident	127 Å²	127	80.9 Å²	80.9	55%	0.552	43%	0.434	S	S	*	.	S	Bend	trans	-90.3	-31.9	-176.6	-75.3	-177.8	-179	175.8	0	111.8	G44 E56 H59	G44-K46 PolarHBondContact O-N 2.87Å; G44-K46 VanDerWaalsContact O-N 3.09Å; K46-E56 PolarHBondContact N-OE1 3.41Å; K46-H59 PolarHBondContact NZ-CD2 3.09Å; K46-H59 PolarHBondContact NZ-CE1 2.9Å; K46-H59 PolarHBondContact NZ-ND1 3.32Å; K46-H59 PolarHBondContact NZ-NE2 3.16Å
47	D	87.7	Confident	86.1	Confident	101 Å²	101	81 Å²	81	54%	0.54	43%	0.428	S	S	.	.	S	Bend	trans	-89.3	-6.5	-178.6	75.9	2.7	0	0	0	113.5	D49 E56	D47-D49 VanDerWaalsContact C-N 3.33Å; D47-D49 WeakPolarHBondContact OD1-CB 3.23Å; D47-D49 PolarHBondContact OD1-N 2.97Å; D47-D49 VanDerWaalsContact OD1-N 3.13Å; D47-E56 PolarHBondContact N-OE1 3.16Å
48	L	88.3	Confident	86.7	Confident	146 Å²	146	80 Å²	80	76%	0.764	42%	0.415	S	S	*	.			trans	64.6	33	175.9	-54.7	174	0	0	0	112.9	D45 G50	D45-L48 WeakPolarHBondContact OD1-CA 3.41Å; D45-L48 PolarHBondContact OD1-N 3.48Å; D45-L48 WeakPolarHBondContact OD2-CA 3.11Å; L48-G50 VanDerWaalsContact C-N 3.3Å
49	D	87	Confident	87.1	Confident	84 Å²	84	78.4 Å²	78.4	45%	0.449	41%	0.407	S	S	.	.	S	Bend	trans	-83.2	-6.9	177.5	91.7	-23.9	0	0	0	113.5	D45 D47 Q51	D45-D49 PolarHBondContact OD1-N 3.15Å; D47-D49 VanDerWaalsContact C-N 3.33Å; D47-D49 WeakPolarHBondContact OD1-CB 3.23Å; D47-D49 PolarHBondContact OD1-N 2.97Å; D47-D49 VanDerWaalsContact OD1-N 3.13Å; D49-Q51 VanDerWaalsContact C-N 3.3Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.19Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.32Å; D49-Q51 PolarHBondContact OD1-N 3.17Å; D49-Q51 PolarHBondContact OD2-NE2 2.99Å
50	G	84.1	Confident	87.6	Confident	54 Å²	54	76.2 Å²	76.2	56%	0.557	40%	0.397	S	S	*	.	S	Bend	trans	80	8.1	-179.8	0	0	0	0	0	114.2	D45 L48	D45-G50 VanDerWaalsContact OD2-CA 3.29Å; D45-G50 WeakPolarHBondContact OD2-CA 3.45Å; D45-G50 PolarHBondContact OD2-N 3.27Å; L48-G50 VanDerWaalsContact C-N 3.3Å
51	Q	86	Confident	87.9	Confident	132 Å²	132	76.9 Å²	76.9	62%	0.617	40%	0.401	S	S	*	.	S	Bend	trans	-117.3	178.1	172.7	-64.2	173.3	91.1	0	0	109.5	D49	D49-Q51 VanDerWaalsContact C-N 3.3Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.19Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.32Å; D49-Q51 PolarHBondContact OD1-N 3.17Å; D49-Q51 PolarHBondContact OD2-NE2 2.99Å
52	L	87.1	Confident	88.3	Confident	44 Å²	44	79.6 Å²	79.6	23%	0.23	41%	0.41	C	S	.	.			trans	-133.6	107.4	176.4	-170.3	72.5	0	0	0	108	I40 V41 E56 F57	I40-L52 HydrophobicContact CG2-CD2 3.97Å; V41-L52 HydrophobicContact CG2-CB 4.2Å; L52-E56 HydrophobicContact CD1-CB 3.63Å; L52-E56 HydrophobicContact CG-CB 4.36Å; L52-F57 HydrophobicContact CD2-CB 3.89Å; L52-F57 HydrophobicContact CD2-CD2 3.61Å; L52-F57 HydrophobicContact CD2-CG 4.22Å; L52-F57 HydrophobicContact CG-CB 4.03Å
53	D	89.9	Confident	88.5	Confident	76 Å²	76	75.8 Å²	75.8	41%	0.406	39%	0.394	S	S	.	.			trans	-76.2	173.1	177.1	80.1	35.8	0	0	0	111.8	E55 E56 F57	D53-E55 VanDerWaalsContact C-N 3.34Å; D53-E55 PolarHBondContact O-N 3.29Å; D53-E55 WeakPolarHBondContact OD1-CA 3.36Å; D53-E55 WeakPolarHBondContact OD1-CB 3.46Å; D53-E55 PolarHBondContact OD1-N 3.07Å; D53-E56 PolarHBondContact N-OE2 3.07Å; D53-E56 WeakPolarHBondContact OD1-CG 3.44Å; D53-E56 PolarHBondContact OD1-N 3.35Å; D53-F57 WeakPolarHBondContact O-CB 3.34Å; D53-F57 PolarHBondContact O-N 2.9Å
54	F	89.8	Confident	88.8	Confident	165 Å²	165	73 Å²	73	72%	0.724	37%	0.371	S	S	*	.	H	α-helix	trans	-65	-36.9	-178.1	179.9	-101.7	0	0	0	112.8	V58	F54-V58 HydrophobicContact CD1-CG2 4.25Å; F54-V58 HydrophobicContact CD2-CG2 4.35Å; F54-V58 HydrophobicContact CE1-CG2 3.82Å; F54-V58 HydrophobicContact CE2-CG2 3.93Å; F54-V58 HydrophobicContact CZ-CG2 3.65Å; F54-V58 WeakPolarHBondContact O-CB 3.39Å; F54-V58 WeakPolarHBondContact O-CG2 3.08Å; F54-V58 PolarHBondContact O-N 3.07Å
55	E	92.3	Very high	89.2	Confident	157 Å²	157	76 Å²	76	73%	0.734	38%	0.383	S	S	*	.	H	α-helix	trans	-70.2	-44.3	-179.3	-175	171.1	177.5	0	0	110.8	D53 V58 H59	D53-E55 VanDerWaalsContact C-N 3.34Å; D53-E55 PolarHBondContact O-N 3.29Å; D53-E55 WeakPolarHBondContact OD1-CA 3.36Å; D53-E55 WeakPolarHBondContact OD1-CB 3.46Å; D53-E55 PolarHBondContact OD1-N 3.07Å; E55-V58 PolarHBondContact O-N 3.03Å; E55-H59 WeakPolarHBondContact O-CB 3.41Å; E55-H59 PolarHBondContact O-N 3.04Å
56	E	89.3	Confident	89.4	Confident	13 Å²	13	80.7 Å²	80.7	6%	0.061	40%	0.403	C	S	.	.	H	α-helix	trans	-62	-44.7	173.6	-68.1	-178.9	133.8	0	0	112	K46 D47 L52 D53 H59 Y60	K46-E56 PolarHBondContact N-OE1 3.41Å; D47-E56 PolarHBondContact N-OE1 3.16Å; L52-E56 HydrophobicContact CD1-CB 3.63Å; L52-E56 HydrophobicContact CG-CB 4.36Å; D53-E56 PolarHBondContact N-OE2 3.07Å; D53-E56 WeakPolarHBondContact OD1-CG 3.44Å; D53-E56 PolarHBondContact OD1-N 3.35Å; E56-H59 PolarHBondContact O-N 2.88Å; E56-Y60 WeakPolarHBondContact O-CB 3.06Å; E56-Y60 PolarHBondContact O-N 3.3Å
57	F	89	Confident	89.5	Confident	70 Å²	70	78.5 Å²	78.5	31%	0.307	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-45.8	176	179.9	-114.2	0	0	0	112	L52 D53 H59 Y60 L61	L52-F57 HydrophobicContact CD2-CB 3.89Å; L52-F57 HydrophobicContact CD2-CD2 3.61Å; L52-F57 HydrophobicContact CD2-CG 4.22Å; L52-F57 HydrophobicContact CG-CB 4.03Å; D53-F57 WeakPolarHBondContact O-CB 3.34Å; D53-F57 PolarHBondContact O-N 2.9Å; F57-H59 VanDerWaalsContact C-N 3.33Å; F57-H59 PolarHBondContact O-N 3.32Å; F57-Y60 PolarHBondContact O-N 3.37Å; F57-L61 HydrophobicContact CD1-CD1 4.03Å; F57-L61 HydrophobicContact CD2-CG 4.44Å; F57-L61 HydrophobicContact CE1-CD1 3.44Å; F57-L61 VanDerWaalsContact CE1-CD1 3.44Å; F57-L61 HydrophobicContact CE1-CG 4.19Å; F57-L61 HydrophobicContact CE2-CD1 4.19Å; F57-L61 HydrophobicContact CE2-CD2 4.25Å; F57-L61 HydrophobicContact CE2-CG 4.1Å; F57-L61 HydrophobicContact CZ-CD1 3.55Å; F57-L61 HydrophobicContact CZ-CD2 4.23Å; F57-L61 HydrophobicContact CZ-CG 3.98Å; F57-L61 WeakPolarHBondContact O-CG 3.43Å; F57-L61 PolarHBondContact O-N 2.75Å
58	V	90.6	Very high	89.7	Confident	46 Å²	46	73.7 Å²	73.7	28%	0.279	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-42.7	177	168.4	0	0	0	0	110.7	F54 E55 L61 Q62	F54-V58 HydrophobicContact CD1-CG2 4.25Å; F54-V58 HydrophobicContact CD2-CG2 4.35Å; F54-V58 HydrophobicContact CE1-CG2 3.82Å; F54-V58 HydrophobicContact CE2-CG2 3.93Å; F54-V58 HydrophobicContact CZ-CG2 3.65Å; F54-V58 WeakPolarHBondContact O-CB 3.39Å; F54-V58 WeakPolarHBondContact O-CG2 3.08Å; F54-V58 PolarHBondContact O-N 3.07Å; E55-V58 PolarHBondContact O-N 3.03Å; V58-L61 PolarHBondContact O-N 2.8Å; V58-Q62 HydrophobicContact CG1-CG 4.49Å; V58-Q62 VanDerWaalsContact O-CG 3.3Å; V58-Q62 WeakPolarHBondContact O-CG 3.23Å; V58-Q62 PolarHBondContact O-N 2.96Å
59	H	89.8	Confident	90	Very high	70 Å²	70	71 Å²	71	32%	0.324	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-44	177.4	-170.2	-73.9	0	0	0	111.8	K46 E55 E56 F57 Q62 D63	K46-H59 PolarHBondContact NZ-CD2 3.09Å; K46-H59 PolarHBondContact NZ-CE1 2.9Å; K46-H59 PolarHBondContact NZ-ND1 3.32Å; K46-H59 PolarHBondContact NZ-NE2 3.16Å; E55-H59 WeakPolarHBondContact O-CB 3.41Å; E55-H59 PolarHBondContact O-N 3.04Å; E56-H59 PolarHBondContact O-N 2.88Å; F57-H59 VanDerWaalsContact C-N 3.33Å; F57-H59 PolarHBondContact O-N 3.32Å; H59-Q62 PolarHBondContact O-N 3.41Å; H59-D63 IonicContact CE1-OD2 3.98Å; H59-D63 PolarHBondContact CE1-OD2 2.75Å; H59-D63 IonicContact ND1-OD2 3.08Å; H59-D63 PolarHBondContact ND1-OD2 2.85Å; H59-D63 PolarHBondContact O-N 3.1Å
60	Y	90.5	Very high	90.2	Very high	23 Å²	23	73 Å²	73	9%	0.09	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-50	173.8	169.2	-92.4	0	0	0	110.9	I40 A43 E56 F57 Q62 D63 H64	I40-Y60 HydrophobicContact CB-CE1 4.36Å; I40-Y60 HydrophobicContact CG1-CE1 4.04Å; I40-Y60 HydrophobicContact CG2-CD1 3.9Å; I40-Y60 HydrophobicContact CG2-CE1 3.69Å; I40-Y60 HydrophobicContact CG2-CG 4.44Å; A43-Y60 HydrophobicContact CB-CD2 4.02Å; A43-Y60 HydrophobicContact CB-CE2 3.74Å; E56-Y60 WeakPolarHBondContact O-CB 3.06Å; E56-Y60 PolarHBondContact O-N 3.3Å; F57-Y60 PolarHBondContact O-N 3.37Å; Y60-Q62 VanDerWaalsContact C-N 3.33Å; Y60-Q62 PolarHBondContact O-N 3.12Å; Y60-D63 PolarHBondContact O-N 3.22Å; Y60-H64 HydrophobicContact CE1-CB 4.29Å; Y60-H64 VanDerWaalsContact O-CB 3.27Å; Y60-H64 WeakPolarHBondContact O-CB 3.43Å; Y60-H64 PolarHBondContact O-N 3.28Å
61	L	90.5	Very high	90.5	Very high	34 Å²	34	70.9 Å²	70.9	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-40.7	179.9	-73.9	-175.8	0	0	0	112.3	F57 V58 H64 E65 L129	F57-L61 HydrophobicContact CD1-CD1 4.03Å; F57-L61 HydrophobicContact CD2-CG 4.44Å; F57-L61 HydrophobicContact CE1-CD1 3.44Å; F57-L61 VanDerWaalsContact CE1-CD1 3.44Å; F57-L61 HydrophobicContact CE1-CG 4.19Å; F57-L61 HydrophobicContact CE2-CD1 4.19Å; F57-L61 HydrophobicContact CE2-CD2 4.25Å; F57-L61 HydrophobicContact CE2-CG 4.1Å; F57-L61 HydrophobicContact CZ-CD1 3.55Å; F57-L61 HydrophobicContact CZ-CD2 4.23Å; F57-L61 HydrophobicContact CZ-CG 3.98Å; F57-L61 WeakPolarHBondContact O-CG 3.43Å; F57-L61 PolarHBondContact O-N 2.75Å; V58-L61 PolarHBondContact O-N 2.8Å; L61-H64 PolarHBondContact O-N 3.31Å; L61-E65 WeakPolarHBondContact O-CB 3.23Å; L61-E65 PolarHBondContact O-N 2.81Å; L61-L129 HydrophobicContact CD2-CD1 4.05Å; L61-L129 HydrophobicContact CD2-CG 4.12Å
62	Q	91.3	Very high	90.9	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-41.4	177.6	-75.2	176.9	-2.7	0	0	112.3	V58 H59 Y60 K66	V58-Q62 HydrophobicContact CG1-CG 4.49Å; V58-Q62 VanDerWaalsContact O-CG 3.3Å; V58-Q62 WeakPolarHBondContact O-CG 3.23Å; V58-Q62 PolarHBondContact O-N 2.96Å; H59-Q62 PolarHBondContact O-N 3.41Å; Y60-Q62 VanDerWaalsContact C-N 3.33Å; Y60-Q62 PolarHBondContact O-N 3.12Å; Q62-K66 WeakPolarHBondContact O-CG 3.08Å; Q62-K66 PolarHBondContact O-N 3.3Å
63	D	90.5	Very high	91.2	Very high	58 Å²	58	68.3 Å²	68.3	31%	0.31	32%	0.319	S	S	.	.	H	α-helix	trans	-73.1	-37.6	177.5	-75.3	-17.4	0	0	0	112	H59 Y60 K66 K67	H59-D63 IonicContact CE1-OD2 3.98Å; H59-D63 PolarHBondContact CE1-OD2 2.75Å; H59-D63 IonicContact ND1-OD2 3.08Å; H59-D63 PolarHBondContact ND1-OD2 2.85Å; H59-D63 PolarHBondContact O-N 3.1Å; Y60-D63 PolarHBondContact O-N 3.22Å; D63-K66 WeakPolarHBondContact O-CB 3.39Å; D63-K66 PolarHBondContact O-N 3.22Å; D63-K66 IonicContact OD1-NZ 2.78Å; D63-K66 PolarHBondContact OD1-NZ 3.23Å; D63-K67 PolarHBondContact O-N 2.91Å; D63-K67 VanDerWaalsContact O-N 3.1Å
64	H	90.6	Very high	91.2	Very high	5 Å²	5	66.6 Å²	66.6	2%	0.023	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-45.1	173.8	-170.9	54.9	0	0	0	111.7	Y60 L61 K66 K67 L68 H128 L129 H131 V133	Y60-H64 HydrophobicContact CE1-CB 4.29Å; Y60-H64 VanDerWaalsContact O-CB 3.27Å; Y60-H64 WeakPolarHBondContact O-CB 3.43Å; Y60-H64 PolarHBondContact O-N 3.28Å; L61-H64 PolarHBondContact O-N 3.31Å; H64-K66 VanDerWaalsContact C-N 3.29Å; H64-K66 PolarHBondContact O-N 3.2Å; H64-K67 WeakPolarHBondContact O-CB 3.23Å; H64-K67 PolarHBondContact O-N 3.16Å; H64-K67 VanDerWaalsContact O-N 3.09Å; H64-L68 WeakPolarHBondContact O-CG 3.24Å; H64-L68 PolarHBondContact O-N 3.44Å; H64-H128 PolarHBondContact NE2-O 2.99Å; H64-H128 VanDerWaalsContact NE2-O 3.16Å; H64-L129 PolarHBondContact CD2-O 3Å; H64-L129 PolarHBondContact NE2-O 2.76Å; H64-H131 PolarHBondContact CE1-O 3.42Å; H64-H131 PolarHBondContact NE2-O 2.79Å; H64-V133 PolarHBondContact CE1-O 3.37Å; H64-V133 VanDerWaalsContact CE1-O 3.22Å
65	E	92.8	Very high	91.2	Very high	65 Å²	65	58.9 Å²	58.9	30%	0.304	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-37.7	177.1	-171.5	172.9	-174	0	0	111.9	L61 L68 R69 W121 R125	L61-E65 WeakPolarHBondContact O-CB 3.23Å; L61-E65 PolarHBondContact O-N 2.81Å; E65-L68 PolarHBondContact O-N 2.98Å; E65-R69 WeakPolarHBondContact O-CB 3.49Å; E65-R69 PolarHBondContact O-N 2.82Å; E65-W121 HydrophobicContact CG-CH2 4.1Å; E65-W121 HydrophobicContact CG-CZ2 3.63Å; E65-R125 HydrophobicContact CG-CG 4.33Å; E65-R125 WeakPolarHBondContact OE1-CD 3.45Å; E65-R125 IonicContact OE1-NH1 2.74Å
66	K	92.3	Very high	91.3	Very high	121 Å²	121	51.9 Å²	51.9	53%	0.526	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-44.5	173.2	-67	167	-158.5	158	0	111.6	Q62 D63 H64 R69 L70	Q62-K66 WeakPolarHBondContact O-CG 3.08Å; Q62-K66 PolarHBondContact O-N 3.3Å; D63-K66 WeakPolarHBondContact O-CB 3.39Å; D63-K66 PolarHBondContact O-N 3.22Å; D63-K66 IonicContact OD1-NZ 2.78Å; D63-K66 PolarHBondContact OD1-NZ 3.23Å; H64-K66 VanDerWaalsContact C-N 3.29Å; H64-K66 PolarHBondContact O-N 3.2Å; K66-R69 WeakPolarHBondContact O-CB 3.49Å; K66-R69 PolarHBondContact O-N 3.01Å; K66-L70 WeakPolarHBondContact O-CG 3.46Å; K66-L70 PolarHBondContact O-N 2.88Å; K66-L70 VanDerWaalsContact O-N 3.15Å
67	K	90.8	Very high	91.5	Very high	81 Å²	81	56.4 Å²	56.4	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-47.7	176	-68.2	177.8	-177.3	173.8	0	110.7	D63 H64 R69 L70 V71 E134	D63-K67 PolarHBondContact O-N 2.91Å; D63-K67 VanDerWaalsContact O-N 3.1Å; H64-K67 WeakPolarHBondContact O-CB 3.23Å; H64-K67 PolarHBondContact O-N 3.16Å; H64-K67 VanDerWaalsContact O-N 3.09Å; K67-R69 VanDerWaalsContact C-N 3.25Å; K67-R69 PolarHBondContact O-N 3.4Å; K67-L70 WeakPolarHBondContact O-CB 3.43Å; K67-L70 PolarHBondContact O-N 3.25Å; K67-L70 VanDerWaalsContact O-N 3.09Å; K67-V71 PolarHBondContact O-N 3.35Å; K67-V71 VanDerWaalsContact O-N 3.09Å; K67-E134 IonicContact NZ-OE1 2.97Å; K67-E134 PolarHBondContact NZ-OE1 3.29Å
68	L	92.1	Very high	91.7	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-37	176.1	-70	-179.6	0	0	0	112.2	H64 E65 L70 V71 F72 W121 W124 H128 V133	H64-L68 WeakPolarHBondContact O-CG 3.24Å; H64-L68 PolarHBondContact O-N 3.44Å; E65-L68 PolarHBondContact O-N 2.98Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-V71 PolarHBondContact O-N 3.38Å; L68-F72 WeakPolarHBondContact O-CB 3.11Å; L68-F72 PolarHBondContact O-N 2.88Å; L68-W121 HydrophobicContact CB-CH2 4.09Å; L68-W121 HydrophobicContact CB-CZ3 4.39Å; L68-W124 PolarHBondContact O-NE1 2.87Å; L68-H128 HydrophobicContact CD1-CB 3.88Å; L68-H128 HydrophobicContact CD2-CB 3.63Å; L68-H128 HydrophobicContact CG-CB 4.42Å; L68-V133 HydrophobicContact CD2-CG2 4.14Å
69	R	93.3	Very high	91.9	Very high	90 Å²	90	61.9 Å²	61.9	34%	0.34	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-36.6	177	-167.5	67	174.8	124.7	-2.5	112.5	E65 K66 K67 K73 W121	E65-R69 WeakPolarHBondContact O-CB 3.49Å; E65-R69 PolarHBondContact O-N 2.82Å; K66-R69 WeakPolarHBondContact O-CB 3.49Å; K66-R69 PolarHBondContact O-N 3.01Å; K67-R69 VanDerWaalsContact C-N 3.25Å; K67-R69 PolarHBondContact O-N 3.4Å; R69-K73 WeakPolarHBondContact O-CG 3.25Å; R69-K73 PolarHBondContact O-N 2.85Å; R69-K73 VanDerWaalsContact O-N 3.1Å; R69-W121 VanDerWaalsContact CA-CZ3 3.4Å; R69-W121 HydrophobicContact CB-CH2 3.57Å; R69-W121 HydrophobicContact CB-CZ2 4.2Å; R69-W121 HydrophobicContact CB-CZ3 3.89Å; R69-W121 VanDerWaalsContact CD-CE3 3.47Å; R69-W121 VanDerWaalsContact CD-CZ3 3.46Å; R69-W121 HydrophobicContact CG-CH2 4.2Å; R69-W121 HydrophobicContact CG-CZ3 4.3Å
70	L	91.4	Very high	92.1	Very high	125 Å²	125	62.6 Å²	62.6	65%	0.654	30%	0.298	S	S	*	.	H	α-helix	trans	-65.9	-43.1	174.5	-66.2	174.1	0	0	0	110.9	K66 K67 L68 K73 S74	K66-L70 WeakPolarHBondContact O-CG 3.46Å; K66-L70 PolarHBondContact O-N 2.88Å; K66-L70 VanDerWaalsContact O-N 3.15Å; K67-L70 WeakPolarHBondContact O-CB 3.43Å; K67-L70 PolarHBondContact O-N 3.25Å; K67-L70 VanDerWaalsContact O-N 3.09Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L70-K73 PolarHBondContact O-N 3.32Å; L70-S74 PolarHBondContact O-N 3.02Å
71	V	91.4	Very high	92.3	Very high	10 Å²	10	63.1 Å²	63.1	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-47.9	176.1	178	0	0	0	0	111	K67 L68 K73 S74 L75 W124 I136 I139	K67-V71 PolarHBondContact O-N 3.35Å; K67-V71 VanDerWaalsContact O-N 3.09Å; L68-V71 PolarHBondContact O-N 3.38Å; V71-K73 VanDerWaalsContact C-N 3.31Å; V71-K73 PolarHBondContact O-N 2.99Å; V71-S74 WeakPolarHBondContact O-CB 3.33Å; V71-S74 PolarHBondContact O-N 3.3Å; V71-S74 PolarHBondContact O-OG 2.76Å; V71-L75 HydrophobicContact CG1-CD1 4.13Å; V71-L75 HydrophobicContact CG1-CG 4.45Å; V71-L75 PolarHBondContact O-N 3.45Å; V71-L75 VanDerWaalsContact O-N 3.17Å; V71-W124 HydrophobicContact CB-CZ2 4.13Å; V71-W124 HydrophobicContact CG1-CH2 4.02Å; V71-W124 HydrophobicContact CG1-CZ2 3.57Å; V71-I136 HydrophobicContact CB-CG1 4.41Å; V71-I136 HydrophobicContact CG1-CG1 3.66Å; V71-I136 HydrophobicContact CG2-CG1 4.27Å; V71-I139 HydrophobicContact CB-CD1 4.11Å; V71-I139 HydrophobicContact CG1-CD1 3.59Å; V71-I139 HydrophobicContact CG2-CD1 4.06Å
72	F	93.4	Very high	92.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-52.5	-50.1	177	-177.7	-84.5	0	0	0	111.6	L68 S74 L75 D76 G81 I83 W121 W124	L68-F72 WeakPolarHBondContact O-CB 3.11Å; L68-F72 PolarHBondContact O-N 2.88Å; F72-S74 VanDerWaalsContact C-N 3.25Å; F72-S74 PolarHBondContact O-N 3.03Å; F72-L75 PolarHBondContact O-N 2.96Å; F72-L75 VanDerWaalsContact O-N 3.15Å; F72-D76 HydrophobicContact CE1-CB 4.23Å; F72-D76 PolarHBondContact O-N 3.34Å; F72-G81 WeakPolarHBondContact CZ-O 3.46Å; F72-I83 HydrophobicContact CD2-CD1 3.43Å; F72-I83 VanDerWaalsContact CD2-CD1 3.43Å; F72-I83 HydrophobicContact CD2-CG1 4.16Å; F72-I83 HydrophobicContact CE2-CD1 3.54Å; F72-I83 HydrophobicContact CE2-CG1 3.81Å; F72-I83 HydrophobicContact CG-CD1 4.09Å; F72-I83 HydrophobicContact CZ-CD1 4.25Å; F72-I83 HydrophobicContact CZ-CG1 4.08Å; F72-W121 HydrophobicContact CB-CE3 3.98Å; F72-W121 HydrophobicContact CB-CZ3 3.95Å; F72-W121 HydrophobicContact CD1-CE3 4.45Å; F72-W121 HydrophobicContact CD2-CE3 4.09Å; F72-W121 AromaticContact CG-CE3 3.9Å; F72-W121 HydrophobicContact CG-CE3 3.9Å; F72-W121 HydrophobicContact CG-CZ3 4.38Å; F72-W124 HydrophobicContact CB-CG 4.35Å; F72-W124 HydrophobicContact CD2-CB 3.64Å; F72-W124 AromaticContact CD2-CD1 3.95Å; F72-W124 AromaticContact CD2-CD2 3.94Å; F72-W124 HydrophobicContact CD2-CD2 3.94Å; F72-W124 HydrophobicContact CD2-CE3 4.45Å; F72-W124 AromaticContact CD2-CG 3.54Å; F72-W124 HydrophobicContact CD2-CG 3.54Å; F72-W124 HydrophobicContact CE2-CB 3.99Å; F72-W124 HydrophobicContact CE2-CG 4.36Å; F72-W124 HydrophobicContact CG-CG 4.41Å
73	K	92.9	Very high	92.8	Very high	122 Å²	122	61.5 Å²	61.5	53%	0.53	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-29.2	178.4	-74.6	-178.8	175	-173.5	0	113.7	R69 L70 V71 L75	R69-K73 WeakPolarHBondContact O-CG 3.25Å; R69-K73 PolarHBondContact O-N 2.85Å; R69-K73 VanDerWaalsContact O-N 3.1Å; L70-K73 PolarHBondContact O-N 3.32Å; V71-K73 VanDerWaalsContact C-N 3.31Å; V71-K73 PolarHBondContact O-N 2.99Å; K73-L75 VanDerWaalsContact C-N 3.3Å
74	S	90.1	Very high	93	Very high	39 Å²	39	60.5 Å²	60.5	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-73.7	-25.4	178.1	75.1	0	0	0	0	112.9	L70 V71 F72 K77 I136	L70-S74 PolarHBondContact O-N 3.02Å; V71-S74 WeakPolarHBondContact O-CB 3.33Å; V71-S74 PolarHBondContact O-N 3.3Å; V71-S74 PolarHBondContact O-OG 2.76Å; F72-S74 VanDerWaalsContact C-N 3.25Å; F72-S74 PolarHBondContact O-N 3.03Å; S74-K77 WeakPolarHBondContact O-CE 3.39Å; S74-K77 PolarHBondContact O-NZ 3.49Å; S74-I136 WeakPolarHBondContact OG-CD1 3.41Å; S74-I136 WeakPolarHBondContact OG-CG1 3.18Å
75	L	90.6	Very high	93.2	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-87	-40	177	-64.5	175.6	0	0	0	111.7	V71 F72 K73 K77 I83 E87 S91 W124 W143	V71-L75 HydrophobicContact CG1-CD1 4.13Å; V71-L75 HydrophobicContact CG1-CG 4.45Å; V71-L75 PolarHBondContact O-N 3.45Å; V71-L75 VanDerWaalsContact O-N 3.17Å; F72-L75 PolarHBondContact O-N 2.96Å; F72-L75 VanDerWaalsContact O-N 3.15Å; K73-L75 VanDerWaalsContact C-N 3.3Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 2.9Å; L75-I83 HydrophobicContact CB-CD1 3.77Å; L75-I83 HydrophobicContact CB-CG1 4.19Å; L75-I83 HydrophobicContact CB-CG2 4.43Å; L75-I83 HydrophobicContact CD1-CD1 4.01Å; L75-E87 WeakPolarHBondContact O-CB 3.17Å; L75-S91 VanDerWaalsContact CD2-CB 3.42Å; L75-S91 WeakPolarHBondContact CD2-OG 3.12Å; L75-W124 HydrophobicContact CD1-CH2 3.41Å; L75-W124 VanDerWaalsContact CD1-CH2 3.41Å; L75-W124 HydrophobicContact CD1-CZ2 4.23Å; L75-W124 HydrophobicContact CD1-CZ3 3.71Å; L75-W143 HydrophobicContact CD1-CH2 4.15Å
76	D	95.1	Very high	93.3	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.053	30%	0.304	C	S	.	.			trans	-69.8	78.4	174.8	178.1	9.3	0	0	0	110.9	F72 K78 N79 D80 G81 I83 E87	F72-D76 HydrophobicContact CE1-CB 4.23Å; F72-D76 PolarHBondContact O-N 3.34Å; D76-K78 VanDerWaalsContact C-N 3.34Å; D76-N79 PolarHBondContact O-N 2.82Å; D76-N79 WeakPolarHBondContact OD1-CA 3.37Å; D76-N79 PolarHBondContact OD1-N 2.81Å; D76-D80 PolarHBondContact OD1-N 3.47Å; D76-G81 VanDerWaalsContact OD2-CA 3.25Å; D76-G81 WeakPolarHBondContact OD2-CA 3.2Å; D76-G81 PolarHBondContact OD2-N 3.24Å; D76-I83 HydrophobicContact CB-CG1 4.35Å; D76-E87 WeakPolarHBondContact CA-OE1 3.25Å
77	K	92	Very high	93.4	Very high	107 Å²	107	57 Å²	57	47%	0.465	28%	0.28	S	S	.	.	S	Bend	trans	-69.7	-34.4	-179.9	-61.1	-56.1	-170.7	-164.2	0	111.4	S74 L75 N79 E87	S74-K77 WeakPolarHBondContact O-CE 3.39Å; S74-K77 PolarHBondContact O-NZ 3.49Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 2.9Å; K77-N79 PolarHBondContact O-N 2.83Å; K77-N79 PolarHBondContact O-ND2 2.6Å; K77-E87 HydrophobicContact CB-CG 4.37Å; K77-E87 PolarHBondContact N-OE1 2.8Å
78	K	94.4	Very high	93.3	Very high	101 Å²	101	53.3 Å²	53.3	44%	0.439	26%	0.264	S	S	.	.	S	Bend	trans	-74.7	-14.8	-179.6	-71.4	173.7	-75.6	122.6	0	112	D76 D80 D84 E87	D76-K78 VanDerWaalsContact C-N 3.34Å; K78-D80 HydrophobicContact CB-CB 4.47Å; K78-D80 IonicContact NZ-OD2 2.66Å; K78-D80 PolarHBondContact NZ-OD2 2.93Å; K78-D80 PolarHBondContact O-N 3.49Å; K78-D84 WeakPolarHBondContact CE-OD2 2.99Å; K78-D84 VanDerWaalsContact NZ-CG 3.3Å; K78-D84 IonicContact NZ-OD1 3.92Å; K78-D84 IonicContact NZ-OD2 2.75Å; K78-D84 PolarHBondContact NZ-OD2 3.17Å; K78-E87 WeakPolarHBondContact CB-OE1 3.37Å; K78-E87 VanDerWaalsContact CE-OE1 3.23Å; K78-E87 WeakPolarHBondContact CE-OE1 3.34Å; K78-E87 VanDerWaalsContact CE-OE2 3.23Å; K78-E87 WeakPolarHBondContact CE-OE2 3.5Å; K78-E87 PolarHBondContact N-OE1 3.33Å; K78-E87 IonicContact NZ-OE1 3.01Å; K78-E87 IonicContact NZ-OE2 2.76Å; K78-E87 PolarHBondContact NZ-OE2 3.15Å; K78-E87 VanDerWaalsContact NZ-OE2 3.08Å
79	N	93.7	Very high	93.2	Very high	130 Å²	130	54.2 Å²	54.2	70%	0.695	27%	0.269	S	S	*	.			trans	55.1	34.7	-173.7	-60.2	-82.8	0	0	0	112.2	D76 K77 G81	D76-N79 PolarHBondContact O-N 2.82Å; D76-N79 WeakPolarHBondContact OD1-CA 3.37Å; D76-N79 PolarHBondContact OD1-N 2.81Å; K77-N79 PolarHBondContact O-N 2.83Å; K77-N79 PolarHBondContact O-ND2 2.6Å; N79-G81 VanDerWaalsContact C-N 3.3Å
80	D	95.3	Very high	93	Very high	85 Å²	85	54.3 Å²	54.3	46%	0.455	27%	0.273	S	S	.	.	S	Bend	trans	-90.9	0.3	178.5	66.8	19.1	0	0	0	112.2	D76 K78 R82	D76-D80 PolarHBondContact OD1-N 3.47Å; K78-D80 HydrophobicContact CB-CB 4.47Å; K78-D80 IonicContact NZ-OD2 2.66Å; K78-D80 PolarHBondContact NZ-OD2 2.93Å; K78-D80 PolarHBondContact O-N 3.49Å; D80-R82 WeakPolarHBondContact OD1-CA 3.36Å; D80-R82 WeakPolarHBondContact OD1-CB 3.24Å; D80-R82 PolarHBondContact OD1-N 3.3Å
81	G	94.5	Very high	92.8	Very high	35 Å²	35	48.8 Å²	48.8	36%	0.361	25%	0.245	S	C	.	.	S	Bend	trans	78.1	11.1	179.6	0	0	0	0	0	113.2	F72 D76 N79	F72-G81 WeakPolarHBondContact CZ-O 3.46Å; D76-G81 VanDerWaalsContact OD2-CA 3.25Å; D76-G81 WeakPolarHBondContact OD2-CA 3.2Å; D76-G81 PolarHBondContact OD2-N 3.24Å; N79-G81 VanDerWaalsContact C-N 3.3Å
82	R	96.2	Very high	92.3	Very high	101 Å²	101	48.6 Å²	48.6	38%	0.381	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.2	177.6	-61.3	179.1	175.5	-80.9	-10.7	109.2	D80 T118 I119	D80-R82 WeakPolarHBondContact OD1-CA 3.36Å; D80-R82 WeakPolarHBondContact OD1-CB 3.24Å; D80-R82 PolarHBondContact OD1-N 3.3Å; R82-T118 PolarHBondContact NH1-OG1 2.84Å; R82-I119 CarbonylContact C-O 3.56Å; R82-I119 VanDerWaalsContact CA-O 3.3Å; R82-I119 WeakPolarHBondContact CA-O 3.15Å
83	I	95.7	Very high	91.8	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.2	173.8	-60.2	168.4	0	0	0	108	F72 L75 D76 E87 I88 L108 T118 I119 W124	F72-I83 HydrophobicContact CD2-CD1 3.43Å; F72-I83 VanDerWaalsContact CD2-CD1 3.43Å; F72-I83 HydrophobicContact CD2-CG1 4.16Å; F72-I83 HydrophobicContact CE2-CD1 3.54Å; F72-I83 HydrophobicContact CE2-CG1 3.81Å; F72-I83 HydrophobicContact CG-CD1 4.09Å; F72-I83 HydrophobicContact CZ-CD1 4.25Å; F72-I83 HydrophobicContact CZ-CG1 4.08Å; L75-I83 HydrophobicContact CB-CD1 3.77Å; L75-I83 HydrophobicContact CB-CG1 4.19Å; L75-I83 HydrophobicContact CB-CG2 4.43Å; L75-I83 HydrophobicContact CD1-CD1 4.01Å; D76-I83 HydrophobicContact CB-CG1 4.35Å; I83-E87 WeakPolarHBondContact CA-OE2 3.37Å; I83-E87 HydrophobicContact CG2-CB 4.28Å; I83-I88 HydrophobicContact CG2-CD1 4.15Å; I83-I88 HydrophobicContact CG2-CG1 3.67Å; I83-L108 WeakPolarHBondContact O-CD2 3.33Å; I83-T118 WeakPolarHBondContact O-CA 3.41Å; I83-I119 HydrophobicContact CB-CB 4.35Å; I83-I119 PolarHBondContact N-O 2.86Å; I83-I119 PolarHBondContact O-N 3.47Å; I83-W124 HydrophobicContact CD1-CE3 3.97Å; I83-W124 HydrophobicContact CD1-CZ3 4.16Å
84	D	95.6	Very high	91.3	Very high	38 Å²	38	52.8 Å²	52.8	20%	0.203	26%	0.263	C	S	.	.			trans	-103.3	178.5	174.7	75.7	24	0	0	0	113.5	K78 Q86 E87 I88	K78-D84 WeakPolarHBondContact CE-OD2 2.99Å; K78-D84 VanDerWaalsContact NZ-CG 3.3Å; K78-D84 IonicContact NZ-OD1 3.92Å; K78-D84 IonicContact NZ-OD2 2.75Å; K78-D84 PolarHBondContact NZ-OD2 3.17Å; D84-Q86 VanDerWaalsContact C-N 3.28Å; D84-Q86 PolarHBondContact O-N 2.82Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.29Å; D84-Q86 WeakPolarHBondContact OD1-CB 3.41Å; D84-Q86 PolarHBondContact OD1-N 2.78Å; D84-E87 PolarHBondContact N-OE2 2.85Å; D84-E87 PolarHBondContact O-N 3.18Å; D84-E87 PolarHBondContact OD1-N 3.37Å; D84-I88 WeakPolarHBondContact O-CG1 3.32Å; D84-I88 PolarHBondContact O-N 2.87Å; D84-I88 VanDerWaalsContact O-N 3.15Å
85	A	93.2	Very high	90.4	Very high	12 Å²	12	55.3 Å²	55.3	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-36.6	-176.8	0	0	0	0	0	111.6	I88 M89 A104 L108	A85-I88 PolarHBondContact O-N 3.29Å; A85-M89 WeakPolarHBondContact O-CB 3.3Å; A85-M89 WeakPolarHBondContact O-CG 3.37Å; A85-M89 PolarHBondContact O-N 2.98Å; A85-A104 HydrophobicContact CB-CB 4.01Å; A85-L108 HydrophobicContact CB-CD1 3.75Å
86	Q	94.8	Very high	89.5	Confident	100 Å²	100	58.4 Å²	58.4	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-69.4	-38	-178.3	-62.3	-63.4	-38	0	0	110.7	D84 M89 Q90 E101	D84-Q86 VanDerWaalsContact C-N 3.28Å; D84-Q86 PolarHBondContact O-N 2.82Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.29Å; D84-Q86 WeakPolarHBondContact OD1-CB 3.41Å; D84-Q86 PolarHBondContact OD1-N 2.78Å; Q86-M89 PolarHBondContact O-N 3.34Å; Q86-Q90 VanDerWaalsContact O-CB 3.26Å; Q86-Q90 WeakPolarHBondContact O-CB 3.27Å; Q86-Q90 PolarHBondContact O-N 3.4Å; Q86-E101 PolarHBondContact NE2-OE1 2.94Å; Q86-E101 VanDerWaalsContact NE2-OE1 3.12Å
87	E	94.7	Very high	88.5	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-40.8	174.7	-76	174.7	133.8	0	0	112.9	L75 D76 K77 K78 I83 D84 S91	L75-E87 WeakPolarHBondContact O-CB 3.17Å; D76-E87 WeakPolarHBondContact CA-OE1 3.25Å; K77-E87 HydrophobicContact CB-CG 4.37Å; K77-E87 PolarHBondContact N-OE1 2.8Å; K78-E87 WeakPolarHBondContact CB-OE1 3.37Å; K78-E87 VanDerWaalsContact CE-OE1 3.23Å; K78-E87 WeakPolarHBondContact CE-OE1 3.34Å; K78-E87 VanDerWaalsContact CE-OE2 3.23Å; K78-E87 WeakPolarHBondContact CE-OE2 3.5Å; K78-E87 PolarHBondContact N-OE1 3.33Å; K78-E87 IonicContact NZ-OE1 3.01Å; K78-E87 IonicContact NZ-OE2 2.76Å; K78-E87 PolarHBondContact NZ-OE2 3.15Å; K78-E87 VanDerWaalsContact NZ-OE2 3.08Å; I83-E87 WeakPolarHBondContact CA-OE2 3.37Å; I83-E87 HydrophobicContact CG2-CB 4.28Å; D84-E87 PolarHBondContact N-OE2 2.85Å; D84-E87 PolarHBondContact O-N 3.18Å; D84-E87 PolarHBondContact OD1-N 3.37Å; E87-S91 VanDerWaalsContact O-CB 3.24Å; E87-S91 WeakPolarHBondContact O-CB 3.43Å; E87-S91 PolarHBondContact O-N 3.48Å; E87-S91 PolarHBondContact O-OG 3.21Å
88	I	89.8	Confident	87.7	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-49.8	172.6	-68.7	173.1	0	0	0	110.1	I83 D84 A85 Q90 S91 L92 I99 A104 I107 L108 W143	I83-I88 HydrophobicContact CG2-CD1 4.15Å; I83-I88 HydrophobicContact CG2-CG1 3.67Å; D84-I88 WeakPolarHBondContact O-CG1 3.32Å; D84-I88 PolarHBondContact O-N 2.87Å; D84-I88 VanDerWaalsContact O-N 3.15Å; A85-I88 PolarHBondContact O-N 3.29Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.32Å; I88-S91 PolarHBondContact O-N 2.95Å; I88-L92 HydrophobicContact CG2-CD1 3.69Å; I88-L92 WeakPolarHBondContact O-CB 3.36Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 3.49Å; I88-I99 HydrophobicContact CG2-CD1 4.1Å; I88-A104 HydrophobicContact CB-CB 4.47Å; I88-A104 HydrophobicContact CG2-CB 4.24Å; I88-I107 HydrophobicContact CD1-CG2 4.09Å; I88-I107 HydrophobicContact CG2-CD1 4.15Å; I88-L108 HydrophobicContact CD1-CD2 3.45Å; I88-L108 VanDerWaalsContact CD1-CD2 3.45Å; I88-L108 HydrophobicContact CD1-CG 3.83Å; I88-W143 HydrophobicContact CG2-CZ3 4.4Å
89	M	89.1	Confident	86.9	Confident	19 Å²	19	57.9 Å²	57.9	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-44.8	179	-73.1	176.5	70.1	0	0	112	A85 Q86 R93 I99 E101 A104	A85-M89 WeakPolarHBondContact O-CB 3.3Å; A85-M89 WeakPolarHBondContact O-CG 3.37Å; A85-M89 PolarHBondContact O-N 2.98Å; Q86-M89 PolarHBondContact O-N 3.34Å; M89-R93 WeakPolarHBondContact O-CB 3.49Å; M89-R93 WeakPolarHBondContact O-CG 3.24Å; M89-R93 PolarHBondContact O-N 2.81Å; M89-I99 HydrophobicContact CB-CG1 4.42Å; M89-I99 HydrophobicContact CG-CD1 4.02Å; M89-I99 HydrophobicContact CG-CG1 3.93Å; M89-E101 HydrophobicContact CE-CB 4.4Å; M89-E101 VanDerWaalsContact SD-CA 3.6Å; M89-E101 HydrophobicContact SD-CB 3.93Å; M89-E101 HydrophobicContact SD-CG 4.33Å; M89-A104 HydrophobicContact CG-CB 3.68Å; M89-A104 HydrophobicContact SD-CB 4.34Å
90	Q	90.1	Very high	86.4	Confident	93 Å²	93	54.1 Å²	54.1	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-45.5	-179.4	-173.1	59.2	51.4	0	0	111	Q86 I88 L92 R93 D94	Q86-Q90 VanDerWaalsContact O-CB 3.26Å; Q86-Q90 WeakPolarHBondContact O-CB 3.27Å; Q86-Q90 PolarHBondContact O-N 3.4Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.32Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 2.98Å; Q90-R93 WeakPolarHBondContact O-CB 3.39Å; Q90-R93 PolarHBondContact O-N 3.24Å; Q90-R93 VanDerWaalsContact O-N 3.12Å; Q90-D94 PolarHBondContact NE2-OD1 3.3Å; Q90-D94 PolarHBondContact O-N 2.88Å
91	S	87	Confident	86	Confident	8 Å²	8	54.8 Å²	54.8	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-38.2	179.8	-59.8	0	0	0	0	112.2	L75 E87 I88 L95	L75-S91 VanDerWaalsContact CD2-CB 3.42Å; L75-S91 WeakPolarHBondContact CD2-OG 3.12Å; E87-S91 VanDerWaalsContact O-CB 3.24Å; E87-S91 WeakPolarHBondContact O-CB 3.43Å; E87-S91 PolarHBondContact O-N 3.48Å; E87-S91 PolarHBondContact O-OG 3.21Å; I88-S91 PolarHBondContact O-N 2.95Å; S91-L95 WeakPolarHBondContact O-CG 3.45Å; S91-L95 PolarHBondContact O-N 2.81Å
92	L	80.8	Confident	85.5	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-40.5	173.5	-79.3	162	0	0	0	112.1	I88 Q90 D94 L95 G96 V97 I99 I140	I88-L92 HydrophobicContact CG2-CD1 3.69Å; I88-L92 WeakPolarHBondContact O-CB 3.36Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 3.49Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 2.98Å; L92-D94 VanDerWaalsContact C-N 3.33Å; L92-D94 PolarHBondContact O-N 3.06Å; L92-L95 CarbonylContact O-C 3.51Å; L92-L95 WeakPolarHBondContact O-CA 3.45Å; L92-L95 PolarHBondContact O-N 3.44Å; L92-L95 VanDerWaalsContact O-N 3.1Å; L92-G96 PolarHBondContact O-N 3.17Å; L92-V97 CarbonylContact C-O 3.02Å; L92-V97 HydrophobicContact CB-CB 4.29Å; L92-V97 HydrophobicContact CD2-CB 4.04Å; L92-V97 HydrophobicContact CD2-CG1 4.14Å; L92-V97 WeakPolarHBondContact O-CA 3.4Å; L92-V97 PolarHBondContact O-N 2.99Å; L92-I99 HydrophobicContact CD1-CD1 3.38Å; L92-I99 HydrophobicContact CD1-CG1 3.87Å; L92-I99 HydrophobicContact CD1-CG2 3.96Å; L92-I140 HydrophobicContact CD2-CB 4.24Å; L92-I140 HydrophobicContact CD2-CD1 3.63Å; L92-I140 HydrophobicContact CD2-CG1 3.71Å; L92-I140 HydrophobicContact CD2-CG2 3.51Å; L92-I140 HydrophobicContact CG-CD1 4.47Å
93	R	83.1	Confident	84.8	Confident	113 Å²	113	54.9 Å²	54.9	43%	0.426	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-40.3	176.3	-78.1	171.2	-171.7	-100.4	-3	112.1	M89 Q90 L95 G96 V97	M89-R93 WeakPolarHBondContact O-CB 3.49Å; M89-R93 WeakPolarHBondContact O-CG 3.24Å; M89-R93 PolarHBondContact O-N 2.81Å; Q90-R93 WeakPolarHBondContact O-CB 3.39Å; Q90-R93 PolarHBondContact O-N 3.24Å; Q90-R93 VanDerWaalsContact O-N 3.12Å; R93-L95 PolarHBondContact O-N 3.38Å; R93-G96 PolarHBondContact O-N 3.25Å; R93-V97 WeakPolarHBondContact CA-O 3.49Å; R93-V97 PolarHBondContact N-O 2.95Å; R93-V97 VanDerWaalsContact N-O 3.16Å
94	D	80.9	Confident	84.4	Confident	98 Å²	98	54.8 Å²	54.8	52%	0.524	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-26.8	176.4	-66.1	-12.6	0	0	0	111.7	Q90 L92	Q90-D94 PolarHBondContact NE2-OD1 3.3Å; Q90-D94 PolarHBondContact O-N 2.88Å; L92-D94 VanDerWaalsContact C-N 3.33Å; L92-D94 PolarHBondContact O-N 3.06Å
95	L	72.8	Confident	84	Confident	92 Å²	92	56 Å²	56	48%	0.482	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.3	175.3	-64.3	170.2	0	0	0	113.6	S91 L92 R93 I136 I140	S91-L95 WeakPolarHBondContact O-CG 3.45Å; S91-L95 PolarHBondContact O-N 2.81Å; L92-L95 CarbonylContact O-C 3.51Å; L92-L95 WeakPolarHBondContact O-CA 3.45Å; L92-L95 PolarHBondContact O-N 3.44Å; L92-L95 VanDerWaalsContact O-N 3.1Å; R93-L95 PolarHBondContact O-N 3.38Å; L95-I136 HydrophobicContact CD1-CG2 3.59Å; L95-I140 HydrophobicContact CD1-CD1 3.23Å
96	G	71.6	Confident	83.6	Confident	68 Å²	68	61.1 Å²	61.1	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	4.7	178.4	0	0	0	0	0	115	L92 R93	L92-G96 PolarHBondContact O-N 3.17Å; R93-G96 PolarHBondContact O-N 3.25Å
97	V	73.6	Confident	83.2	Confident	38 Å²	38	56.5 Å²	56.5	23%	0.23	29%	0.288	C	S	.	.			trans	-99.7	118.1	178.9	-175.4	0	0	0	0	109.6	L92 R93 I99 V151	L92-V97 CarbonylContact C-O 3.02Å; L92-V97 HydrophobicContact CB-CB 4.29Å; L92-V97 HydrophobicContact CD2-CB 4.04Å; L92-V97 HydrophobicContact CD2-CG1 4.14Å; L92-V97 WeakPolarHBondContact O-CA 3.4Å; L92-V97 PolarHBondContact O-N 2.99Å; R93-V97 WeakPolarHBondContact CA-O 3.49Å; R93-V97 PolarHBondContact N-O 2.95Å; R93-V97 VanDerWaalsContact N-O 3.16Å; V97-I99 HydrophobicContact CG1-CG2 3.88Å; V97-V151 HydrophobicContact CG1-CG1 4.12Å; V97-V151 HydrophobicContact CG1-CG2 4.27Å
98	K	75.6	Confident	83	Confident	164 Å²	164	56.4 Å²	56.4	71%	0.713	29%	0.288	S	S	*	.			trans	-97.4	124.8	177	-68.2	179.7	-177.4	175.5	0	109.9
99	I	77.2	Confident	82.9	Confident	6 Å²	6	62 Å²	62	3%	0.031	31%	0.312	C	S	.	.			trans	-126.5	154.1	178.9	70.5	152.6	0	0	0	110.8	I88 M89 L92 V97 Q103 A104 F149	I88-I99 HydrophobicContact CG2-CD1 4.1Å; M89-I99 HydrophobicContact CB-CG1 4.42Å; M89-I99 HydrophobicContact CG-CD1 4.02Å; M89-I99 HydrophobicContact CG-CG1 3.93Å; L92-I99 HydrophobicContact CD1-CD1 3.38Å; L92-I99 HydrophobicContact CD1-CG1 3.87Å; L92-I99 HydrophobicContact CD1-CG2 3.96Å; V97-I99 HydrophobicContact CG1-CG2 3.88Å; I99-Q103 HydrophobicContact CB-CB 4.41Å; I99-A104 HydrophobicContact CD1-CB 3.73Å; I99-F149 HydrophobicContact CB-CE1 4.49Å; I99-F149 HydrophobicContact CB-CE2 3.76Å; I99-F149 HydrophobicContact CB-CZ 3.36Å; I99-F149 HydrophobicContact CD1-CE2 4.21Å; I99-F149 HydrophobicContact CG2-CE1 3.94Å; I99-F149 HydrophobicContact CG2-CE2 3.56Å; I99-F149 HydrophobicContact CG2-CZ 3.07Å
100	S	83.7	Confident	82.8	Confident	51 Å²	51	63.2 Å²	63.2	36%	0.357	32%	0.322	S	S	.	.			trans	-81	164.4	171.6	77.1	0	0	0	0	111.5	Q103 A104	S100-Q103 VanDerWaalsContact O-CB 3.29Å; S100-Q103 WeakPolarHBondContact O-CB 3.46Å; S100-Q103 PolarHBondContact O-N 2.96Å; S100-Q103 WeakPolarHBondContact OG-CB 3.47Å; S100-Q103 PolarHBondContact OG-N 3.39Å; S100-Q103 PolarHBondContact OG-OE1 3.38Å; S100-A104 PolarHBondContact O-N 3.1Å; S100-A104 VanDerWaalsContact O-N 3.09Å
101	E	85.6	Confident	82.7	Confident	99 Å²	99	59 Å²	59	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-43	177.5	-175.4	164.2	-148.8	0	0	111.8	Q86 M89 Q103 A104 E105	Q86-E101 PolarHBondContact NE2-OE1 2.94Å; Q86-E101 VanDerWaalsContact NE2-OE1 3.12Å; M89-E101 HydrophobicContact CE-CB 4.4Å; M89-E101 VanDerWaalsContact SD-CA 3.6Å; M89-E101 HydrophobicContact SD-CB 3.93Å; M89-E101 HydrophobicContact SD-CG 4.33Å; E101-Q103 PolarHBondContact O-N 2.87Å; E101-A104 WeakPolarHBondContact O-CB 3.43Å; E101-A104 PolarHBondContact O-N 2.92Å; E101-E105 WeakPolarHBondContact O-CG 3.5Å; E101-E105 PolarHBondContact O-N 2.87Å
102	Q	83.5	Confident	82.9	Confident	83 Å²	83	59.6 Å²	59.6	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-57.4	-35.5	175.3	-62.3	179.4	6.4	0	0	112.5	K106 E164	Q102-K106 WeakPolarHBondContact O-CG 3.23Å; Q102-K106 PolarHBondContact O-N 3.25Å; Q102-K106 VanDerWaalsContact O-N 3.11Å; Q102-E164 PolarHBondContact NE2-OE1 2.68Å
103	Q	82.4	Confident	83.3	Confident	54 Å²	54	66.3 Å²	66.3	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-69.1	-42.6	176.7	-95.6	171.1	-17.9	0	0	111.6	I99 S100 E101 K106 I107 F149	I99-Q103 HydrophobicContact CB-CB 4.41Å; S100-Q103 VanDerWaalsContact O-CB 3.29Å; S100-Q103 WeakPolarHBondContact O-CB 3.46Å; S100-Q103 PolarHBondContact O-N 2.96Å; S100-Q103 WeakPolarHBondContact OG-CB 3.47Å; S100-Q103 PolarHBondContact OG-N 3.39Å; S100-Q103 PolarHBondContact OG-OE1 3.38Å; E101-Q103 PolarHBondContact O-N 2.87Å; Q103-K106 PolarHBondContact O-N 3.47Å; Q103-I107 PolarHBondContact O-N 2.9Å; Q103-F149 HydrophobicContact CB-CD2 4.1Å; Q103-F149 HydrophobicContact CB-CE2 3.32Å; Q103-F149 HydrophobicContact CB-CZ 3.65Å; Q103-F149 VanDerWaalsContact CD-CE1 3.41Å; Q103-F149 HydrophobicContact CG-CD2 3.99Å; Q103-F149 HydrophobicContact CG-CE1 4.14Å; Q103-F149 HydrophobicContact CG-CE2 3.47Å; Q103-F149 VanDerWaalsContact CG-CE2 3.47Å; Q103-F149 HydrophobicContact CG-CZ 3.49Å; Q103-F149 VanDerWaalsContact CG-CZ 3.49Å; Q103-F149 VanDerWaalsContact NE2-CZ 3.33Å
104	A	87.1	Confident	83.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-41.2	172.8	0	0	0	0	0	112	A85 I88 M89 I99 S100 E101 K106 I107 L108	A85-A104 HydrophobicContact CB-CB 4.01Å; I88-A104 HydrophobicContact CB-CB 4.47Å; I88-A104 HydrophobicContact CG2-CB 4.24Å; M89-A104 HydrophobicContact CG-CB 3.68Å; M89-A104 HydrophobicContact SD-CB 4.34Å; I99-A104 HydrophobicContact CD1-CB 3.73Å; S100-A104 PolarHBondContact O-N 3.1Å; S100-A104 VanDerWaalsContact O-N 3.09Å; E101-A104 WeakPolarHBondContact O-CB 3.43Å; E101-A104 PolarHBondContact O-N 2.92Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 3.12Å; A104-I107 WeakPolarHBondContact O-CB 3.45Å; A104-I107 PolarHBondContact O-N 3.38Å; A104-I107 VanDerWaalsContact O-N 3.12Å; A104-L108 PolarHBondContact O-N 2.76Å
105	E	87.5	Confident	84.1	Confident	62 Å²	62	63 Å²	63	29%	0.29	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-36.7	175.6	-73.1	-174.8	-165.4	0	0	113	E101 I107 L108 K109 M117	E101-E105 WeakPolarHBondContact O-CG 3.5Å; E101-E105 PolarHBondContact O-N 2.87Å; E105-I107 VanDerWaalsContact C-N 3.31Å; E105-L108 PolarHBondContact O-N 2.98Å; E105-K109 WeakPolarHBondContact O-CB 3.45Å; E105-K109 VanDerWaalsContact O-CG 3.29Å; E105-K109 WeakPolarHBondContact O-CG 3.46Å; E105-K109 PolarHBondContact O-N 2.97Å; E105-K109 IonicContact OE2-NZ 3.81Å; E105-K109 PolarHBondContact OE2-NZ 2.87Å; E105-M117 HydrophobicContact CB-CE 4.05Å; E105-M117 HydrophobicContact CG-CE 3.73Å
106	K	85.3	Confident	84.9	Confident	121 Å²	121	61.8 Å²	61.8	53%	0.526	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-40.1	174.5	-76.5	175.8	-179.8	-178.6	0	111.6	Q102 Q103 A104 K109 S110	Q102-K106 WeakPolarHBondContact O-CG 3.23Å; Q102-K106 PolarHBondContact O-N 3.25Å; Q102-K106 VanDerWaalsContact O-N 3.11Å; Q103-K106 PolarHBondContact O-N 3.47Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 3.12Å; K106-K109 PolarHBondContact O-N 2.87Å; K106-S110 PolarHBondContact O-N 2.97Å; K106-S110 VanDerWaalsContact O-N 3.09Å
107	I	85.6	Confident	85.9	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-48.6	175.5	-63.7	168.2	0	0	0	109.4	I88 Q103 A104 E105 K109 S110 M111 W143 F149	I88-I107 HydrophobicContact CD1-CG2 4.09Å; I88-I107 HydrophobicContact CG2-CD1 4.15Å; Q103-I107 PolarHBondContact O-N 2.9Å; A104-I107 WeakPolarHBondContact O-CB 3.45Å; A104-I107 PolarHBondContact O-N 3.38Å; A104-I107 VanDerWaalsContact O-N 3.12Å; E105-I107 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 2.84Å; I107-S110 WeakPolarHBondContact O-CB 3.45Å; I107-S110 PolarHBondContact O-N 2.88Å; I107-S110 VanDerWaalsContact O-N 3.17Å; I107-S110 PolarHBondContact O-OG 3.25Å; I107-M111 HydrophobicContact CG2-CE 3.53Å; I107-W143 HydrophobicContact CD1-CE3 4.05Å; I107-W143 HydrophobicContact CG2-CD2 3.8Å; I107-W143 HydrophobicContact CG2-CE3 3.89Å; I107-W143 HydrophobicContact CG2-CG 4.27Å; I107-W143 HydrophobicContact CG2-CH2 4.32Å; I107-W143 HydrophobicContact CG2-CZ2 4.26Å; I107-W143 HydrophobicContact CG2-CZ3 4.15Å; I107-F149 HydrophobicContact CD1-CD2 4.34Å; I107-F149 HydrophobicContact CD1-CE2 4.47Å
108	L	89.9	Confident	86.9	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-55.3	-54	175.7	-68.4	174.5	0	0	0	111.5	I83 A85 I88 A104 E105 S110 M111 D112 M117 I119	I83-L108 WeakPolarHBondContact O-CD2 3.33Å; A85-L108 HydrophobicContact CB-CD1 3.75Å; I88-L108 HydrophobicContact CD1-CD2 3.45Å; I88-L108 VanDerWaalsContact CD1-CD2 3.45Å; I88-L108 HydrophobicContact CD1-CG 3.83Å; A104-L108 PolarHBondContact O-N 2.76Å; E105-L108 PolarHBondContact O-N 2.98Å; L108-S110 PolarHBondContact O-N 2.84Å; L108-M111 PolarHBondContact O-N 3.48Å; L108-D112 VanDerWaalsContact O-CB 3.27Å; L108-D112 WeakPolarHBondContact O-CB 3.3Å; L108-D112 PolarHBondContact O-N 3.04Å; L108-M117 HydrophobicContact CD1-CE 4.47Å; L108-I119 HydrophobicContact CD2-CD1 4.34Å; L108-I119 HydrophobicContact CD2-CG1 3.66Å; L108-I119 WeakPolarHBondContact O-CD1 3.29Å
109	K	89.3	Confident	87.8	Confident	122 Å²	122	53.8 Å²	53.8	53%	0.53	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-24.1	-178.9	-73.3	171.7	-176.2	164.4	0	113.7	E105 K106 I107 M111 M117	E105-K109 WeakPolarHBondContact O-CB 3.45Å; E105-K109 VanDerWaalsContact O-CG 3.29Å; E105-K109 WeakPolarHBondContact O-CG 3.46Å; E105-K109 PolarHBondContact O-N 2.97Å; E105-K109 IonicContact OE2-NZ 3.81Å; E105-K109 PolarHBondContact OE2-NZ 2.87Å; K106-K109 PolarHBondContact O-N 2.87Å; I107-K109 PolarHBondContact O-N 2.84Å; K109-M111 PolarHBondContact O-N 2.91Å; K109-M117 HydrophobicContact CD-SD 4.42Å; K109-M117 WeakPolarHBondContact CE-SD 3.48Å; K109-M117 HydrophobicContact CG-SD 3.96Å
110	S	85.4	Confident	88.7	Confident	44 Å²	44	55 Å²	55	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-71.9	-20.3	176.4	76.5	0	0	0	0	113.3	K106 I107 L108 Y127	K106-S110 PolarHBondContact O-N 2.97Å; K106-S110 VanDerWaalsContact O-N 3.09Å; I107-S110 WeakPolarHBondContact O-CB 3.45Å; I107-S110 PolarHBondContact O-N 2.88Å; I107-S110 VanDerWaalsContact O-N 3.17Å; I107-S110 PolarHBondContact O-OG 3.25Å; L108-S110 PolarHBondContact O-N 2.84Å; S110-Y127 WeakPolarHBondContact O-CE2 3.37Å
111	M	87.9	Confident	89.3	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-116.1	-31.8	-175.9	-58.2	173.5	-151.6	0	0	113	I107 L108 K109 K113 I119 W124 Y127 W143	I107-M111 HydrophobicContact CG2-CE 3.53Å; L108-M111 PolarHBondContact O-N 3.48Å; K109-M111 PolarHBondContact O-N 2.91Å; M111-K113 PolarHBondContact O-N 3.08Å; M111-I119 HydrophobicContact CB-CD1 3.6Å; M111-I119 HydrophobicContact CB-CG1 4.23Å; M111-W124 HydrophobicContact SD-CE3 4.41Å; M111-W124 HydrophobicContact SD-CZ3 4.46Å; M111-Y127 HydrophobicContact CB-CD2 4.15Å; M111-Y127 HydrophobicContact CB-CG 4.22Å; M111-Y127 HydrophobicContact CE-CD1 4.31Å; M111-Y127 HydrophobicContact CE-CE1 3.9Å; M111-Y127 HydrophobicContact CG-CD1 3.67Å; M111-Y127 HydrophobicContact CG-CD2 3.7Å; M111-Y127 HydrophobicContact CG-CE1 3.77Å; M111-Y127 HydrophobicContact CG-CE2 3.84Å; M111-Y127 HydrophobicContact CG-CG 3.62Å; M111-Y127 HydrophobicContact SD-CD1 4.09Å; M111-Y127 HydrophobicContact SD-CE1 4.26Å; M111-Y127 HydrophobicContact SD-CG 4.47Å; M111-W143 HydrophobicContact CE-CD2 4.22Å; M111-W143 HydrophobicContact CE-CG 4.45Å; M111-W143 HydrophobicContact CE-CZ2 3.54Å; M111-W143 HydrophobicContact SD-CZ2 4.33Å
112	D	92.1	Very high	89.7	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.107	28%	0.279	C	S	.	.			trans	-65.8	110.3	-179.4	179.4	5.5	0	0	0	109.9	L108 N114 G115 T116 M117 I119	L108-D112 VanDerWaalsContact O-CB 3.27Å; L108-D112 WeakPolarHBondContact O-CB 3.3Å; L108-D112 PolarHBondContact O-N 3.04Å; D112-N114 PolarHBondContact OD1-N 3.35Å; D112-N114 VanDerWaalsContact OD1-N 3.14Å; D112-N114 PolarHBondContact OD1-OD1 3.01Å; D112-G115 WeakPolarHBondContact OD1-CA 3.47Å; D112-G115 PolarHBondContact OD1-N 3.36Å; D112-G115 VanDerWaalsContact OD2-C 3.24Å; D112-G115 VanDerWaalsContact OD2-CA 3.29Å; D112-G115 WeakPolarHBondContact OD2-CA 3.42Å; D112-T116 PolarHBondContact OD1-N 3.04Å; D112-T116 PolarHBondContact OD2-N 3.01Å; D112-M117 WeakPolarHBondContact OD2-CA 3.44Å; D112-M117 PolarHBondContact OD2-N 3.23Å; D112-I119 HydrophobicContact CB-CD1 3.65Å; D112-I119 VanDerWaalsContact N-CD1 3.31Å
113	K	89.4	Confident	90.3	Very high	146 Å²	146	50.3 Å²	50.3	64%	0.635	26%	0.262	S	S	*	.	S	Bend	trans	-91.9	-26.3	-179.5	-68.6	-178.5	-175.9	171.1	0	111.6	M111 E123 D126	M111-K113 PolarHBondContact O-N 3.08Å; K113-E123 PolarHBondContact N-OE1 2.85Å; K113-D126 IonicContact NZ-OD2 3.49Å
114	N	90.1	Very high	90.8	Very high	84 Å²	84	47.9 Å²	47.9	45%	0.449	25%	0.251	S	S	.	.	S	Bend	trans	-98.8	-5.8	-172	62.8	31.6	0	0	0	113.3	D112 T116 E123	D112-N114 PolarHBondContact OD1-N 3.35Å; D112-N114 VanDerWaalsContact OD1-N 3.14Å; D112-N114 PolarHBondContact OD1-OD1 3.01Å; N114-T116 WeakPolarHBondContact OD1-CB 3.43Å; N114-T116 WeakPolarHBondContact OD1-CG2 3.48Å; N114-T116 PolarHBondContact OD1-N 3.3Å; N114-T116 PolarHBondContact OD1-OG1 3.34Å; N114-E123 PolarHBondContact N-OE1 2.99Å; N114-E123 PolarHBondContact ND2-OE1 3.16Å; N114-E123 PolarHBondContact OD1-OE1 3.42Å
115	G	89.8	Confident	91.1	Very high	59 Å²	59	50.9 Å²	50.9	61%	0.608	26%	0.262	S	S	*	.	S	Bend	trans	75.2	22.3	177.9	0	0	0	0	0	113.6	D112 M117	D112-G115 WeakPolarHBondContact OD1-CA 3.47Å; D112-G115 PolarHBondContact OD1-N 3.36Å; D112-G115 VanDerWaalsContact OD2-C 3.24Å; D112-G115 VanDerWaalsContact OD2-CA 3.29Å; D112-G115 WeakPolarHBondContact OD2-CA 3.42Å; G115-M117 PolarHBondContact O-N 2.6Å
116	T	91.4	Very high	91.3	Very high	66 Å²	66	51.4 Å²	51.4	41%	0.405	27%	0.267	S	S	.	.			trans	-76.9	-8.9	-179.4	57	0	0	0	0	113.7	D112 N114 T118	D112-T116 PolarHBondContact OD1-N 3.04Å; D112-T116 PolarHBondContact OD2-N 3.01Å; N114-T116 WeakPolarHBondContact OD1-CB 3.43Å; N114-T116 WeakPolarHBondContact OD1-CG2 3.48Å; N114-T116 PolarHBondContact OD1-N 3.3Å; N114-T116 PolarHBondContact OD1-OG1 3.34Å; T116-T118 PolarHBondContact O-N 2.95Å; T116-T118 PolarHBondContact OG1-O 2.74Å; T116-T118 PolarHBondContact OG1-OG1 2.93Å; T116-T118 VanDerWaalsContact OG1-OG1 3.04Å
117	M	91.6	Very high	91.4	Very high	68 Å²	68	48.7 Å²	48.7	34%	0.335	25%	0.254	S	S	.	.	S	Bend	trans	57.2	26	-170.4	-68.1	-68.1	-59.3	0	0	112.8	E105 L108 K109 D112 G115	E105-M117 HydrophobicContact CB-CE 4.05Å; E105-M117 HydrophobicContact CG-CE 3.73Å; L108-M117 HydrophobicContact CD1-CE 4.47Å; K109-M117 HydrophobicContact CD-SD 4.42Å; K109-M117 WeakPolarHBondContact CE-SD 3.48Å; K109-M117 HydrophobicContact CG-SD 3.96Å; D112-M117 WeakPolarHBondContact OD2-CA 3.44Å; D112-M117 PolarHBondContact OD2-N 3.23Å; G115-M117 PolarHBondContact O-N 2.6Å
118	T	94.4	Very high	91.6	Very high	32 Å²	32	48.5 Å²	48.5	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	-142.6	150.4	174	65.3	0	0	0	0	108.3	R82 I83 T116	R82-T118 PolarHBondContact NH1-OG1 2.84Å; I83-T118 WeakPolarHBondContact O-CA 3.41Å; T116-T118 PolarHBondContact O-N 2.95Å; T116-T118 PolarHBondContact OG1-O 2.74Å; T116-T118 PolarHBondContact OG1-OG1 2.93Å; T116-T118 VanDerWaalsContact OG1-OG1 3.04Å
119	I	95.6	Very high	91.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.3	176.8	-54.8	-53.6	0	0	0	109.7	R82 I83 L108 M111 D112 E123 W124	R82-I119 CarbonylContact C-O 3.56Å; R82-I119 VanDerWaalsContact CA-O 3.3Å; R82-I119 WeakPolarHBondContact CA-O 3.15Å; I83-I119 HydrophobicContact CB-CB 4.35Å; I83-I119 PolarHBondContact N-O 2.86Å; I83-I119 PolarHBondContact O-N 3.47Å; L108-I119 HydrophobicContact CD2-CD1 4.34Å; L108-I119 HydrophobicContact CD2-CG1 3.66Å; L108-I119 WeakPolarHBondContact O-CD1 3.29Å; M111-I119 HydrophobicContact CB-CD1 3.6Å; M111-I119 HydrophobicContact CB-CG1 4.23Å; D112-I119 HydrophobicContact CB-CD1 3.65Å; D112-I119 VanDerWaalsContact N-CD1 3.31Å; I119-E123 HydrophobicContact CG2-CB 3.95Å; I119-W124 HydrophobicContact CG2-CB 3.85Å; I119-W124 HydrophobicContact CG2-CE3 4.38Å
120	D	96.2	Very high	91.1	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	174.1	169.4	76.2	36.1	0	0	0	112.7	N122 E123 W124	D120-N122 VanDerWaalsContact C-N 3.29Å; D120-N122 PolarHBondContact O-N 2.83Å; D120-N122 WeakPolarHBondContact OD1-CA 2.96Å; D120-N122 WeakPolarHBondContact OD1-CB 3.09Å; D120-N122 PolarHBondContact OD1-N 3.3Å; D120-E123 PolarHBondContact N-OE2 2.64Å; D120-E123 VanDerWaalsContact N-OE2 3.08Å; D120-E123 PolarHBondContact O-N 3.2Å; D120-E123 PolarHBondContact OD1-N 2.98Å; D120-W124 WeakPolarHBondContact O-CB 3.18Å; D120-W124 PolarHBondContact O-N 3.35Å
121	W	95.4	Very high	90.8	Very high	46 Å²	46	50.5 Å²	50.5	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-37.7	-179	170.1	-112.5	0	0	0	113.5	E65 L68 R69 F72 W124 R125	E65-W121 HydrophobicContact CG-CH2 4.1Å; E65-W121 HydrophobicContact CG-CZ2 3.63Å; L68-W121 HydrophobicContact CB-CH2 4.09Å; L68-W121 HydrophobicContact CB-CZ3 4.39Å; R69-W121 VanDerWaalsContact CA-CZ3 3.4Å; R69-W121 HydrophobicContact CB-CH2 3.57Å; R69-W121 HydrophobicContact CB-CZ2 4.2Å; R69-W121 HydrophobicContact CB-CZ3 3.89Å; R69-W121 VanDerWaalsContact CD-CE3 3.47Å; R69-W121 VanDerWaalsContact CD-CZ3 3.46Å; R69-W121 HydrophobicContact CG-CH2 4.2Å; R69-W121 HydrophobicContact CG-CZ3 4.3Å; F72-W121 HydrophobicContact CB-CE3 3.98Å; F72-W121 HydrophobicContact CB-CZ3 3.95Å; F72-W121 HydrophobicContact CD1-CE3 4.45Å; F72-W121 HydrophobicContact CD2-CE3 4.09Å; F72-W121 AromaticContact CG-CE3 3.9Å; F72-W121 HydrophobicContact CG-CE3 3.9Å; F72-W121 HydrophobicContact CG-CZ3 4.38Å; W121-W124 AromaticContact CE3-CD1 3.94Å; W121-W124 AromaticContact CZ3-CD1 3.55Å; W121-R125 HydrophobicContact CH2-CB 4.35Å; W121-R125 HydrophobicContact CZ2-CB 4.12Å; W121-R125 HydrophobicContact CZ2-CG 4.29Å; W121-R125 VanDerWaalsContact O-CB 3.23Å; W121-R125 WeakPolarHBondContact O-CB 3.48Å; W121-R125 PolarHBondContact O-N 2.98Å
122	N	94.8	Very high	90.4	Very high	80 Å²	80	51.1 Å²	51.1	43%	0.428	27%	0.268	S	S	.	.	H	α-helix	trans	-71.6	-43.4	-177.1	-63.2	-49.3	0	0	0	110.3	D120 W124 R125 D126	D120-N122 VanDerWaalsContact C-N 3.29Å; D120-N122 PolarHBondContact O-N 2.83Å; D120-N122 WeakPolarHBondContact OD1-CA 2.96Å; D120-N122 WeakPolarHBondContact OD1-CB 3.09Å; D120-N122 PolarHBondContact OD1-N 3.3Å; N122-W124 VanDerWaalsContact C-N 3.35Å; N122-R125 PolarHBondContact O-N 3.36Å; N122-D126 VanDerWaalsContact O-CB 3.27Å; N122-D126 WeakPolarHBondContact O-CB 3.37Å; N122-D126 PolarHBondContact O-N 3.08Å
123	E	95	Very high	89.6	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-45.7	175.7	-68.4	175	135.2	0	0	111.3	K113 N114 I119 D120 Y127	K113-E123 PolarHBondContact N-OE1 2.85Å; N114-E123 PolarHBondContact N-OE1 2.99Å; N114-E123 PolarHBondContact ND2-OE1 3.16Å; N114-E123 PolarHBondContact OD1-OE1 3.42Å; I119-E123 HydrophobicContact CG2-CB 3.95Å; D120-E123 PolarHBondContact N-OE2 2.64Å; D120-E123 VanDerWaalsContact N-OE2 3.08Å; D120-E123 PolarHBondContact O-N 3.2Å; D120-E123 PolarHBondContact OD1-N 2.98Å; E123-Y127 VanDerWaalsContact O-CB 3.3Å; E123-Y127 WeakPolarHBondContact O-CB 3.41Å; E123-Y127 PolarHBondContact O-N 2.98Å
124	W	93.4	Very high	88.7	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.011	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-51.2	175.6	176.8	-92.7	0	0	0	112.8	L68 V71 F72 L75 I83 M111 I119 D120 W121 N122 Y127 H128 I139 W143	L68-W124 PolarHBondContact O-NE1 2.87Å; V71-W124 HydrophobicContact CB-CZ2 4.13Å; V71-W124 HydrophobicContact CG1-CH2 4.02Å; V71-W124 HydrophobicContact CG1-CZ2 3.57Å; F72-W124 HydrophobicContact CB-CG 4.35Å; F72-W124 HydrophobicContact CD2-CB 3.64Å; F72-W124 AromaticContact CD2-CD1 3.95Å; F72-W124 AromaticContact CD2-CD2 3.94Å; F72-W124 HydrophobicContact CD2-CD2 3.94Å; F72-W124 HydrophobicContact CD2-CE3 4.45Å; F72-W124 AromaticContact CD2-CG 3.54Å; F72-W124 HydrophobicContact CD2-CG 3.54Å; F72-W124 HydrophobicContact CE2-CB 3.99Å; F72-W124 HydrophobicContact CE2-CG 4.36Å; F72-W124 HydrophobicContact CG-CG 4.41Å; L75-W124 HydrophobicContact CD1-CH2 3.41Å; L75-W124 VanDerWaalsContact CD1-CH2 3.41Å; L75-W124 HydrophobicContact CD1-CZ2 4.23Å; L75-W124 HydrophobicContact CD1-CZ3 3.71Å; I83-W124 HydrophobicContact CD1-CE3 3.97Å; I83-W124 HydrophobicContact CD1-CZ3 4.16Å; M111-W124 HydrophobicContact SD-CE3 4.41Å; M111-W124 HydrophobicContact SD-CZ3 4.46Å; I119-W124 HydrophobicContact CG2-CB 3.85Å; I119-W124 HydrophobicContact CG2-CE3 4.38Å; D120-W124 WeakPolarHBondContact O-CB 3.18Å; D120-W124 PolarHBondContact O-N 3.35Å; W121-W124 AromaticContact CE3-CD1 3.94Å; W121-W124 AromaticContact CZ3-CD1 3.55Å; N122-W124 VanDerWaalsContact C-N 3.35Å; W124-Y127 PolarHBondContact O-N 2.82Å; W124-H128 AromaticContact CD2-CE1 3.91Å; W124-H128 AromaticContact CD2-ND1 3.78Å; W124-H128 AromaticContact CE2-ND1 3.84Å; W124-H128 AromaticContact CE3-CE1 3.69Å; W124-H128 AromaticContact CH2-CE1 3.78Å; W124-H128 AromaticContact CZ2-CE1 3.98Å; W124-H128 AromaticContact CZ3-CE1 3.64Å; W124-H128 PolarHBondContact O-N 2.92Å; W124-H128 PolarHBondContact O-ND1 2.9Å; W124-I139 HydrophobicContact CH2-CD1 4.2Å; W124-I139 HydrophobicContact CH2-CG2 3.98Å; W124-I139 HydrophobicContact CZ2-CD1 3.78Å; W124-W143 HydrophobicContact CH2-CH2 4.08Å; W124-W143 AromaticContact CH2-CZ2 3.76Å; W124-W143 HydrophobicContact CH2-CZ2 3.76Å; W124-W143 AromaticContact CZ3-CH2 3.96Å; W124-W143 HydrophobicContact CZ3-CH2 3.96Å; W124-W143 AromaticContact CZ3-CZ2 3.61Å; W124-W143 HydrophobicContact CZ3-CZ2 3.61Å
125	R	93	Very high	87.9	Confident	64 Å²	64	46.9 Å²	46.9	24%	0.242	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-54.7	-179.6	178.7	-161.8	65.5	-157.9	-7.9	109.6	E65 W121 N122 Y127 H128 L129	E65-R125 HydrophobicContact CG-CG 4.33Å; E65-R125 WeakPolarHBondContact OE1-CD 3.45Å; E65-R125 IonicContact OE1-NH1 2.74Å; W121-R125 HydrophobicContact CH2-CB 4.35Å; W121-R125 HydrophobicContact CZ2-CB 4.12Å; W121-R125 HydrophobicContact CZ2-CG 4.29Å; W121-R125 VanDerWaalsContact O-CB 3.23Å; W121-R125 WeakPolarHBondContact O-CB 3.48Å; W121-R125 PolarHBondContact O-N 2.98Å; N122-R125 PolarHBondContact O-N 3.36Å; R125-Y127 PolarHBondContact O-N 3.4Å; R125-H128 PolarHBondContact O-N 2.64Å; R125-H128 VanDerWaalsContact O-N 3.16Å; R125-L129 HydrophobicContact CG-CD1 4.37Å; R125-L129 WeakPolarHBondContact O-CA 3.39Å; R125-L129 VanDerWaalsContact O-CB 3.24Å; R125-L129 WeakPolarHBondContact O-CB 3.26Å; R125-L129 PolarHBondContact O-N 2.74Å
126	D	90.9	Very high	87.1	Confident	73 Å²	73	46.1 Å²	46.1	39%	0.39	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-33.7	-174.6	-69.4	1.6	0	0	0	112.1	K113 N122	K113-D126 IonicContact NZ-OD2 3.49Å; N122-D126 VanDerWaalsContact O-CB 3.27Å; N122-D126 WeakPolarHBondContact O-CB 3.37Å; N122-D126 PolarHBondContact O-N 3.08Å
127	Y	89.1	Confident	86.4	Confident	63 Å²	63	46.3 Å²	46.3	25%	0.247	23%	0.233	C	C	.	.	H	α-helix	trans	-72.2	-37.2	178.1	-172.4	-92	0	0	0	113.1	S110 M111 E123 W124 R125 Y142	S110-Y127 WeakPolarHBondContact O-CE2 3.37Å; M111-Y127 HydrophobicContact CB-CD2 4.15Å; M111-Y127 HydrophobicContact CB-CG 4.22Å; M111-Y127 HydrophobicContact CE-CD1 4.31Å; M111-Y127 HydrophobicContact CE-CE1 3.9Å; M111-Y127 HydrophobicContact CG-CD1 3.67Å; M111-Y127 HydrophobicContact CG-CD2 3.7Å; M111-Y127 HydrophobicContact CG-CE1 3.77Å; M111-Y127 HydrophobicContact CG-CE2 3.84Å; M111-Y127 HydrophobicContact CG-CG 3.62Å; M111-Y127 HydrophobicContact SD-CD1 4.09Å; M111-Y127 HydrophobicContact SD-CE1 4.26Å; M111-Y127 HydrophobicContact SD-CG 4.47Å; E123-Y127 VanDerWaalsContact O-CB 3.3Å; E123-Y127 WeakPolarHBondContact O-CB 3.41Å; E123-Y127 PolarHBondContact O-N 2.98Å; W124-Y127 PolarHBondContact O-N 2.82Å; R125-Y127 PolarHBondContact O-N 3.4Å; Y127-Y142 AromaticContact CE1-CE1 3.74Å; Y127-Y142 HydrophobicContact CE1-CE1 3.74Å
128	H	88.1	Confident	85.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-101.9	-7.4	-175.1	-61.6	92.1	0	0	0	114.6	H64 L68 W124 R125 L130 H131 V133 W143	H64-H128 PolarHBondContact NE2-O 2.99Å; H64-H128 VanDerWaalsContact NE2-O 3.16Å; L68-H128 HydrophobicContact CD1-CB 3.88Å; L68-H128 HydrophobicContact CD2-CB 3.63Å; L68-H128 HydrophobicContact CG-CB 4.42Å; W124-H128 AromaticContact CD2-CE1 3.91Å; W124-H128 AromaticContact CD2-ND1 3.78Å; W124-H128 AromaticContact CE2-ND1 3.84Å; W124-H128 AromaticContact CE3-CE1 3.69Å; W124-H128 AromaticContact CH2-CE1 3.78Å; W124-H128 AromaticContact CZ2-CE1 3.98Å; W124-H128 AromaticContact CZ3-CE1 3.64Å; W124-H128 PolarHBondContact O-N 2.92Å; W124-H128 PolarHBondContact O-ND1 2.9Å; R125-H128 PolarHBondContact O-N 2.64Å; R125-H128 VanDerWaalsContact O-N 3.16Å; H128-L130 VanDerWaalsContact C-N 3.29Å; H128-L130 PolarHBondContact O-N 3.41Å; H128-H131 PolarHBondContact O-N 3.15Å; H128-H131 VanDerWaalsContact O-O 3.08Å; H128-V133 HydrophobicContact CB-CG2 4.31Å; H128-W143 AromaticContact NE2-NE1 3.48Å; H128-W143 PolarHBondContact NE2-NE1 3.39Å
129	L	87.3	Confident	84.8	Confident	43 Å²	43	44.7 Å²	44.7	23%	0.225	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-39.7	-169.9	-172.7	64	0	0	0	113.6	L61 H64 R125	L61-L129 HydrophobicContact CD2-CD1 4.05Å; L61-L129 HydrophobicContact CD2-CG 4.12Å; H64-L129 PolarHBondContact CD2-O 3Å; H64-L129 PolarHBondContact NE2-O 2.76Å; R125-L129 HydrophobicContact CG-CD1 4.37Å; R125-L129 WeakPolarHBondContact O-CA 3.39Å; R125-L129 VanDerWaalsContact O-CB 3.24Å; R125-L129 WeakPolarHBondContact O-CB 3.26Å; R125-L129 PolarHBondContact O-N 2.74Å
130	L	82.3	Confident	83.8	Confident	119 Å²	119	45.9 Å²	45.9	62%	0.623	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	4.1	-178.7	-60.3	-179.9	0	0	0	113	H128	H128-L130 VanDerWaalsContact C-N 3.29Å; H128-L130 PolarHBondContact O-N 3.41Å
131	H	79.5	Confident	82.5	Confident	48 Å²	48	48.8 Å²	48.8	22%	0.222	24%	0.244	C	C	.	.	S	Bend	trans	-98.5	123.7	174.3	-164.6	-75.7	0	0	0	109	H64 H128 V133 Y142	H64-H131 PolarHBondContact CE1-O 3.42Å; H64-H131 PolarHBondContact NE2-O 2.79Å; H128-H131 PolarHBondContact O-N 3.15Å; H128-H131 VanDerWaalsContact O-O 3.08Å; H131-V133 HydrophobicContact CB-CG2 4.33Å; H131-V133 WeakPolarHBondContact ND1-CG1 3.23Å; H131-V133 WeakPolarHBondContact O-CG2 3.4Å; H131-V133 PolarHBondContact O-N 2.7Å; H131-Y142 AromaticContact CD2-CD2 3.6Å; H131-Y142 AromaticContact CD2-CE2 3.4Å; H131-Y142 WeakPolarHBondContact CD2-CE2 3.48Å; H131-Y142 AromaticContact CE1-CD2 3.67Å; H131-Y142 AromaticContact NE2-CD2 3.12Å; H131-Y142 WeakPolarHBondContact NE2-CD2 3.29Å; H131-Y142 AromaticContact NE2-CE2 3.36Å; H131-Y142 WeakPolarHBondContact NE2-CE2 3.05Å; H131-Y142 AromaticContact NE2-CG 3.96Å
132	P	78.1	Confident	81.5	Confident	19 Å²	19	49.7 Å²	49.7	12%	0.123	25%	0.247	C	C	.	.			trans	-77.6	66.1	-179.3	32.9	-35.4	0	0	0	110.4	P36 K39 I40	P36-P132 HydrophobicContact CB-CG 4.02Å; K39-P132 HydrophobicContact CB-CB 4.02Å; K39-P132 HydrophobicContact CB-CG 3.92Å; K39-P132 HydrophobicContact CD-CG 4.13Å; I40-P132 HydrophobicContact CG1-CB 4.12Å; I40-P132 HydrophobicContact CG1-CG 4.48Å
133	V	75.6	Confident	80.5	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.228	C	C	.	.			trans	-100.1	126.5	172.4	-85.8	0	0	0	0	110.2	H64 L68 H128 H131 E138 I139	H64-V133 PolarHBondContact CE1-O 3.37Å; H64-V133 VanDerWaalsContact CE1-O 3.22Å; L68-V133 HydrophobicContact CD2-CG2 4.14Å; H128-V133 HydrophobicContact CB-CG2 4.31Å; H131-V133 HydrophobicContact CB-CG2 4.33Å; H131-V133 WeakPolarHBondContact ND1-CG1 3.23Å; H131-V133 WeakPolarHBondContact O-CG2 3.4Å; H131-V133 PolarHBondContact O-N 2.7Å; V133-E138 HydrophobicContact CB-CB 4.42Å; V133-E138 HydrophobicContact CG1-CB 4.03Å; V133-I139 HydrophobicContact CB-CD1 4.36Å; V133-I139 HydrophobicContact CB-CG1 3.65Å; V133-I139 HydrophobicContact CG1-CG1 3.86Å; V133-I139 HydrophobicContact CG2-CD1 4.21Å; V133-I139 HydrophobicContact CG2-CG1 3.74Å
134	E	71.4	Confident	79.2	Confident	102 Å²	102	48.9 Å²	48.9	48%	0.477	24%	0.24	S	C	.	.			trans	-101.7	-18.9	-173.6	-55.1	-150.6	115.6	0	0	113.8	K67 E138	K67-E134 IonicContact NZ-OE1 2.97Å; K67-E134 PolarHBondContact NZ-OE1 3.29Å; E134-E138 PolarHBondContact N-OE2 3.09Å
135	N	72.8	Confident	77.8	Confident	56 Å²	56	56.2 Å²	56.2	30%	0.299	27%	0.274	S	S	.	.	S	Bend	trans	-155.7	169.2	-170	56.2	63.1	0	0	0	113	P137 E138 I139	N135-P137 WeakPolarHBondContact OD1-CD 3.44Å; N135-E138 PolarHBondContact ND2-OE1 3.17Å; N135-E138 PolarHBondContact O-N 2.98Å; N135-E138 WeakPolarHBondContact OD1-CG 3.19Å; N135-E138 PolarHBondContact OD1-N 3.26Å; N135-I139 PolarHBondContact O-N 3.12Å; N135-I139 VanDerWaalsContact O-N 3.12Å
136	I	74.1	Confident	76.4	Confident	44 Å²	44	55.7 Å²	55.7	23%	0.226	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-48.6	179.8	-60.6	163.7	0	0	0	112	V71 S74 L95 E138 I139 I140	V71-I136 HydrophobicContact CB-CG1 4.41Å; V71-I136 HydrophobicContact CG1-CG1 3.66Å; V71-I136 HydrophobicContact CG2-CG1 4.27Å; S74-I136 WeakPolarHBondContact OG-CD1 3.41Å; S74-I136 WeakPolarHBondContact OG-CG1 3.18Å; L95-I136 HydrophobicContact CD1-CG2 3.59Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 2.75Å; I136-I139 PolarHBondContact O-N 3.07Å; I136-I140 HydrophobicContact CG2-CD1 3.49Å; I136-I140 VanDerWaalsContact CG2-CD1 3.49Å; I136-I140 HydrophobicContact CG2-CG1 4.16Å; I136-I140 VanDerWaalsContact O-CG1 3.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.43Å; I136-I140 PolarHBondContact O-N 3.49Å
137	P	75.4	Confident	74.7	Confident	70 Å²	70	53.3 Å²	53.3	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-54.5	-42.7	177.2	-28.3	34.2	0	0	0	114.4	N135 I140 L141	N135-P137 WeakPolarHBondContact OD1-CD 3.44Å; P137-I140 PolarHBondContact O-N 2.88Å; P137-L141 WeakPolarHBondContact O-CB 3.41Å; P137-L141 WeakPolarHBondContact O-CG 3.29Å; P137-L141 PolarHBondContact O-N 3.42Å
138	E	75	Confident	72.7	Confident	65 Å²	65	58.1 Å²	58.1	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-37.8	178	-77	170.4	-147.3	0	0	112.6	V133 E134 N135 I136 I140 L141 Y142	V133-E138 HydrophobicContact CB-CB 4.42Å; V133-E138 HydrophobicContact CG1-CB 4.03Å; E134-E138 PolarHBondContact N-OE2 3.09Å; N135-E138 PolarHBondContact ND2-OE1 3.17Å; N135-E138 PolarHBondContact O-N 2.98Å; N135-E138 WeakPolarHBondContact OD1-CG 3.19Å; N135-E138 PolarHBondContact OD1-N 3.26Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 2.75Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-L141 PolarHBondContact O-N 2.74Å; E138-Y142 WeakPolarHBondContact O-CB 3.38Å; E138-Y142 PolarHBondContact O-N 2.66Å
139	I	77.9	Confident	71.1	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-40.6	175.2	-73	163.3	0	0	0	110.6	V71 W124 V133 N135 I136 Y142 W143	V71-I139 HydrophobicContact CB-CD1 4.11Å; V71-I139 HydrophobicContact CG1-CD1 3.59Å; V71-I139 HydrophobicContact CG2-CD1 4.06Å; W124-I139 HydrophobicContact CH2-CD1 4.2Å; W124-I139 HydrophobicContact CH2-CG2 3.98Å; W124-I139 HydrophobicContact CZ2-CD1 3.78Å; V133-I139 HydrophobicContact CB-CD1 4.36Å; V133-I139 HydrophobicContact CB-CG1 3.65Å; V133-I139 HydrophobicContact CG1-CG1 3.86Å; V133-I139 HydrophobicContact CG2-CD1 4.21Å; V133-I139 HydrophobicContact CG2-CG1 3.74Å; N135-I139 PolarHBondContact O-N 3.12Å; N135-I139 VanDerWaalsContact O-N 3.12Å; I136-I139 PolarHBondContact O-N 3.07Å; I139-Y142 WeakPolarHBondContact O-CB 3.48Å; I139-Y142 PolarHBondContact O-N 3.37Å; I139-W143 HydrophobicContact CG2-CD2 3.94Å; I139-W143 HydrophobicContact CG2-CE3 4.41Å; I139-W143 HydrophobicContact CG2-CH2 3.81Å; I139-W143 HydrophobicContact CG2-CZ2 3.2Å; I139-W143 HydrophobicContact CG2-CZ3 4.36Å; I139-W143 VanDerWaalsContact O-CG 3.23Å; I139-W143 PolarHBondContact O-N 3.47Å
140	I	73.5	Confident	69.1	Low	27 Å²	27	61 Å²	61	14%	0.138	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-43.2	175.6	-67.8	165.8	0	0	0	111	L92 L95 I136 P137 E138 Y142 W143 K144	L92-I140 HydrophobicContact CD2-CB 4.24Å; L92-I140 HydrophobicContact CD2-CD1 3.63Å; L92-I140 HydrophobicContact CD2-CG1 3.71Å; L92-I140 HydrophobicContact CD2-CG2 3.51Å; L92-I140 HydrophobicContact CG-CD1 4.47Å; L95-I140 HydrophobicContact CD1-CD1 3.23Å; I136-I140 HydrophobicContact CG2-CD1 3.49Å; I136-I140 VanDerWaalsContact CG2-CD1 3.49Å; I136-I140 HydrophobicContact CG2-CG1 4.16Å; I136-I140 VanDerWaalsContact O-CG1 3.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.43Å; I136-I140 PolarHBondContact O-N 3.49Å; P137-I140 PolarHBondContact O-N 2.88Å; E138-I140 VanDerWaalsContact C-N 3.33Å; I140-Y142 VanDerWaalsContact C-N 3.29Å; I140-Y142 PolarHBondContact O-N 3.04Å; I140-W143 HydrophobicContact CG1-CE3 4.37Å; I140-W143 HydrophobicContact CG1-CZ3 4.46Å; I140-W143 PolarHBondContact O-N 3.26Å; I140-K144 WeakPolarHBondContact O-CB 3.27Å; I140-K144 PolarHBondContact O-N 2.77Å
141	L	69.6	Low	67.3	Low	90 Å²	90	57.4 Å²	57.4	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-42.8	173.8	-79.7	163.2	0	0	0	110.8	P137 E138 K144 H145	P137-L141 WeakPolarHBondContact O-CB 3.41Å; P137-L141 WeakPolarHBondContact O-CG 3.29Å; P137-L141 PolarHBondContact O-N 3.42Å; E138-L141 PolarHBondContact O-N 2.74Å; L141-K144 WeakPolarHBondContact O-CB 3.49Å; L141-K144 PolarHBondContact O-N 2.89Å; L141-H145 PolarHBondContact O-CD2 3.33Å; L141-H145 VanDerWaalsContact O-CD2 3.3Å; L141-H145 PolarHBondContact O-N 3.23Å
142	Y	74.1	Confident	65.7	Low	65 Å²	65	58.3 Å²	58.3	26%	0.255	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-49.9	173.9	175.3	-104.5	0	0	0	110.7	Y127 H131 E138 I139 I140 K144 H145 S146	Y127-Y142 AromaticContact CE1-CE1 3.74Å; Y127-Y142 HydrophobicContact CE1-CE1 3.74Å; H131-Y142 AromaticContact CD2-CD2 3.6Å; H131-Y142 AromaticContact CD2-CE2 3.4Å; H131-Y142 WeakPolarHBondContact CD2-CE2 3.48Å; H131-Y142 AromaticContact CE1-CD2 3.67Å; H131-Y142 AromaticContact NE2-CD2 3.12Å; H131-Y142 WeakPolarHBondContact NE2-CD2 3.29Å; H131-Y142 AromaticContact NE2-CE2 3.36Å; H131-Y142 WeakPolarHBondContact NE2-CE2 3.05Å; H131-Y142 AromaticContact NE2-CG 3.96Å; E138-Y142 WeakPolarHBondContact O-CB 3.38Å; E138-Y142 PolarHBondContact O-N 2.66Å; I139-Y142 WeakPolarHBondContact O-CB 3.48Å; I139-Y142 PolarHBondContact O-N 3.37Å; I140-Y142 VanDerWaalsContact C-N 3.29Å; I140-Y142 PolarHBondContact O-N 3.04Å; Y142-K144 VanDerWaalsContact C-N 3.3Å; Y142-K144 PolarHBondContact O-N 2.89Å; Y142-H145 CarbonylContact O-C 3.57Å; Y142-H145 PolarHBondContact O-N 3.03Å; Y142-S146 VanDerWaalsContact CE1-OG 3.32Å; Y142-S146 WeakPolarHBondContact CE1-OG 3.39Å; Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 3.46Å; Y142-S146 PolarHBondContact O-N 3.14Å; Y142-S146 PolarHBondContact O-OG 3.12Å
143	W	74.8	Confident	63.8	Low	7 Å²	7	64.4 Å²	64.4	3%	0.027	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-38.4	176.2	-58.9	-20.6	0	0	0	112.5	L75 I88 I107 M111 W124 H128 I139 I140 H145 T147	L75-W143 HydrophobicContact CD1-CH2 4.15Å; I88-W143 HydrophobicContact CG2-CZ3 4.4Å; I107-W143 HydrophobicContact CD1-CE3 4.05Å; I107-W143 HydrophobicContact CG2-CD2 3.8Å; I107-W143 HydrophobicContact CG2-CE3 3.89Å; I107-W143 HydrophobicContact CG2-CG 4.27Å; I107-W143 HydrophobicContact CG2-CH2 4.32Å; I107-W143 HydrophobicContact CG2-CZ2 4.26Å; I107-W143 HydrophobicContact CG2-CZ3 4.15Å; M111-W143 HydrophobicContact CE-CD2 4.22Å; M111-W143 HydrophobicContact CE-CG 4.45Å; M111-W143 HydrophobicContact CE-CZ2 3.54Å; M111-W143 HydrophobicContact SD-CZ2 4.33Å; W124-W143 HydrophobicContact CH2-CH2 4.08Å; W124-W143 AromaticContact CH2-CZ2 3.76Å; W124-W143 HydrophobicContact CH2-CZ2 3.76Å; W124-W143 AromaticContact CZ3-CH2 3.96Å; W124-W143 HydrophobicContact CZ3-CH2 3.96Å; W124-W143 AromaticContact CZ3-CZ2 3.61Å; W124-W143 HydrophobicContact CZ3-CZ2 3.61Å; H128-W143 AromaticContact NE2-NE1 3.48Å; H128-W143 PolarHBondContact NE2-NE1 3.39Å; I139-W143 HydrophobicContact CG2-CD2 3.94Å; I139-W143 HydrophobicContact CG2-CE3 4.41Å; I139-W143 HydrophobicContact CG2-CH2 3.81Å; I139-W143 HydrophobicContact CG2-CZ2 3.2Å; I139-W143 HydrophobicContact CG2-CZ3 4.36Å; I139-W143 VanDerWaalsContact O-CG 3.23Å; I139-W143 PolarHBondContact O-N 3.47Å; I140-W143 HydrophobicContact CG1-CE3 4.37Å; I140-W143 HydrophobicContact CG1-CZ3 4.46Å; I140-W143 PolarHBondContact O-N 3.26Å; W143-H145 VanDerWaalsContact C-N 3.25Å; W143-H145 PolarHBondContact O-N 3.36Å; W143-T147 WeakPolarHBondContact O-CA 3.39Å; W143-T147 WeakPolarHBondContact O-CB 3.29Å; W143-T147 PolarHBondContact O-N 3.09Å; W143-T147 PolarHBondContact O-OG1 3.3Å
144	K	68.3	Low	61.8	Low	65 Å²	65	68.4 Å²	68.4	28%	0.283	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-36.1	174.6	-174.8	-177.7	177.3	-178	0	112	I140 L141 Y142 V151 E153	I140-K144 WeakPolarHBondContact O-CB 3.27Å; I140-K144 PolarHBondContact O-N 2.77Å; L141-K144 WeakPolarHBondContact O-CB 3.49Å; L141-K144 PolarHBondContact O-N 2.89Å; Y142-K144 VanDerWaalsContact C-N 3.3Å; Y142-K144 PolarHBondContact O-N 2.89Å; K144-V151 HydrophobicContact CG-CG2 4.46Å; K144-E153 IonicContact NZ-OE2 2.71Å; K144-E153 PolarHBondContact NZ-OE2 3.03Å
145	H	64	Low	60.3	Low	158 Å²	158	72 Å²	72	73%	0.731	39%	0.387	S	S	*	.	H	α-helix	trans	-91	-32	-178.3	-82.2	-75.8	0	0	0	114.5	L141 Y142 W143	L141-H145 PolarHBondContact O-CD2 3.33Å; L141-H145 VanDerWaalsContact O-CD2 3.3Å; L141-H145 PolarHBondContact O-N 3.23Å; Y142-H145 CarbonylContact O-C 3.57Å; Y142-H145 PolarHBondContact O-N 3.03Å; W143-H145 VanDerWaalsContact C-N 3.25Å; W143-H145 PolarHBondContact O-N 3.36Å
146	S	61.9	Low	58.5	Low	53 Å²	53	75.1 Å²	75.1	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-95	-27.9	-174.4	67.4	0	0	0	0	113.4	Y142	Y142-S146 VanDerWaalsContact CE1-OG 3.32Å; Y142-S146 WeakPolarHBondContact CE1-OG 3.39Å; Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 3.46Å; Y142-S146 PolarHBondContact O-N 3.14Å; Y142-S146 PolarHBondContact O-OG 3.12Å
147	T	56.1	Low	56.9	Low	23 Å²	23	77.8 Å²	77.8	14%	0.141	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	148.4	171.6	69.9	0	0	0	0	109.2	W143 F149	W143-T147 WeakPolarHBondContact O-CA 3.39Å; W143-T147 WeakPolarHBondContact O-CB 3.29Å; W143-T147 PolarHBondContact O-N 3.09Å; W143-T147 PolarHBondContact O-OG1 3.3Å; T147-F149 PolarHBondContact O-N 3.35Å
148	I	47.2	Very low	55.1	Low	163 Å²	163	79.8 Å²	79.8	84%	0.836	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	63.6	-179	-51.7	177.6	0	0	0	110.3
149	F	53.3	Low	53.5	Low	17 Å²	17	82.8 Å²	82.8	8%	0.075	46%	0.457	C	S	.	.			trans	-113.4	83.6	179.2	-151.9	-47.9	0	0	0	107.8	I99 Q103 I107 T147 V151	I99-F149 HydrophobicContact CB-CE1 4.49Å; I99-F149 HydrophobicContact CB-CE2 3.76Å; I99-F149 HydrophobicContact CB-CZ 3.36Å; I99-F149 HydrophobicContact CD1-CE2 4.21Å; I99-F149 HydrophobicContact CG2-CE1 3.94Å; I99-F149 HydrophobicContact CG2-CE2 3.56Å; I99-F149 HydrophobicContact CG2-CZ 3.07Å; Q103-F149 HydrophobicContact CB-CD2 4.1Å; Q103-F149 HydrophobicContact CB-CE2 3.32Å; Q103-F149 HydrophobicContact CB-CZ 3.65Å; Q103-F149 VanDerWaalsContact CD-CE1 3.41Å; Q103-F149 HydrophobicContact CG-CD2 3.99Å; Q103-F149 HydrophobicContact CG-CE1 4.14Å; Q103-F149 HydrophobicContact CG-CE2 3.47Å; Q103-F149 VanDerWaalsContact CG-CE2 3.47Å; Q103-F149 HydrophobicContact CG-CZ 3.49Å; Q103-F149 VanDerWaalsContact CG-CZ 3.49Å; Q103-F149 VanDerWaalsContact NE2-CZ 3.33Å; I107-F149 HydrophobicContact CD1-CD2 4.34Å; I107-F149 HydrophobicContact CD1-CE2 4.47Å; T147-F149 PolarHBondContact O-N 3.35Å; F149-V151 HydrophobicContact CD1-CB 4.12Å; F149-V151 HydrophobicContact CD1-CG2 3.17Å; F149-V151 HydrophobicContact CE1-CB 4.19Å; F149-V151 HydrophobicContact CE1-CG2 3.31Å; F149-V151 HydrophobicContact CG-CG2 4.11Å; F149-V151 HydrophobicContact CZ-CG2 4.29Å; F149-V151 PolarHBondContact O-N 3.18Å
150	D	47.1	Very low	52	Low	86 Å²	86	89.1 Å²	89.1	46%	0.46	49%	0.487	S	S	.	.			trans	-69.3	86.6	161.6	-122.9	-42.3	0	0	0	107	G152 N154	D150-G152 PolarHBondContact O-N 3.11Å; D150-N154 PolarHBondContact OD1-ND2 3.48Å
151	V	44.3	Very low	50.7	Low	44 Å²	44	92.5 Å²	92.5	27%	0.267	50%	0.501	S	S	.	.			trans	-72.2	80	164.7	-175.5	0	0	0	0	105.6	V97 K144 F149 E153	V97-V151 HydrophobicContact CG1-CG1 4.12Å; V97-V151 HydrophobicContact CG1-CG2 4.27Å; K144-V151 HydrophobicContact CG-CG2 4.46Å; F149-V151 HydrophobicContact CD1-CB 4.12Å; F149-V151 HydrophobicContact CD1-CG2 3.17Å; F149-V151 HydrophobicContact CE1-CB 4.19Å; F149-V151 HydrophobicContact CE1-CG2 3.31Å; F149-V151 HydrophobicContact CG-CG2 4.11Å; F149-V151 HydrophobicContact CZ-CG2 4.29Å; F149-V151 PolarHBondContact O-N 3.18Å; V151-E153 PolarHBondContact O-N 2.85Å
152	G	44.3	Very low	49.8	Very low	68 Å²	68	91.6 Å²	91.6	70%	0.701	50%	0.499	S	S	*	.	S	Bend	trans	45.6	22.7	154.2	0	0	0	0	0	119.2	D150	D150-G152 PolarHBondContact O-N 3.11Å
153	E	39.5	Very low	48.8	Very low	146 Å²	146	93.2 Å²	93.2	68%	0.682	52%	0.515	S	S	*	.			trans	-112.1	13.9	-179	-82.5	-168.9	151.9	0	0	113.2	K144 V151	K144-E153 IonicContact NZ-OE2 2.71Å; K144-E153 PolarHBondContact NZ-OE2 3.03Å; V151-E153 PolarHBondContact O-N 2.85Å
154	N	34.2	Very low	47.6	Very low	86 Å²	86	98.5 Å²	98.5	46%	0.46	54%	0.54	S	S	.	.			trans	-104.4	82.9	163.1	-84.2	-60	0	0	0	110.7	D150 T156 V157	D150-N154 PolarHBondContact OD1-ND2 3.48Å; N154-T156 PolarHBondContact O-N 3.42Å; N154-V157 PolarHBondContact O-N 2.82Å
155	L	39	Very low	46.9	Very low	178 Å²	178	98.5 Å²	98.5	93%	0.932	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	12.3	170	-110.3	142.8	0	0	0	114.5
156	T	35.9	Very low	46.3	Very low	122 Å²	122	99.3 Å²	99.3	75%	0.748	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-3.7	-176.2	48	0	0	0	0	115.6	N154	N154-T156 PolarHBondContact O-N 3.42Å
157	V	38.9	Very low	45.8	Very low	99 Å²	99	104.8 Å²	104.8	60%	0.6	56%	0.558	S	S	*	*	S	Bend	trans	-128	113.7	175.6	-172.7	0	0	0	0	108	N154 D159	N154-V157 PolarHBondContact O-N 2.82Å; V157-D159 PolarHBondContact O-N 3.44Å
158	P	38.1	Very low	45.9	Very low	113 Å²	113	107.5 Å²	107.5	73%	0.734	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-59.4	130.9	172.9	-16.7	28.8	0	0	0	109.3	E160	P158-E160 PolarHBondContact O-N 3.49Å
159	D	42.1	Very low	46.4	Very low	127 Å²	127	101.7 Å²	101.7	68%	0.679	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-47.4	128.3	170.3	-79.9	-40.4	0	0	0	109.5	V157 F161	V157-D159 PolarHBondContact O-N 3.44Å; D159-F161 PolarHBondContact O-N 3.29Å
160	E	46.2	Very low	47.1	Very low	135 Å²	135	104.9 Å²	104.9	63%	0.631	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-49.5	124.9	166.7	-94.9	177.7	153.8	0	0	108.1	P158 T162 K253	P158-E160 PolarHBondContact O-N 3.49Å; E160-T162 PolarHBondContact O-N 2.88Å; E160-T162 VanDerWaalsContact O-N 3.09Å; E160-K253 IonicContact OE1-NZ 3.71Å; E160-K253 PolarHBondContact OE1-NZ 3.24Å; E160-K253 IonicContact OE2-NZ 3.16Å; E160-K253 PolarHBondContact OE2-NZ 3.35Å
161	F	46.5	Very low	48.1	Very low	98 Å²	98	107.5 Å²	107.5	43%	0.43	57%	0.574	S	S	.	*			trans	-25.9	112.8	179.7	-64.4	-87.3	0	0	0	112.7	D159 V163 R166 L175	D159-F161 PolarHBondContact O-N 3.29Å; F161-V163 PolarHBondContact O-N 3.33Å; F161-R166 HydrophobicContact CB-CG 4.47Å; F161-L175 HydrophobicContact CZ-CD2 4.34Å
162	T	49.8	Very low	49.3	Very low	71 Å²	71	112.3 Å²	112.3	44%	0.436	59%	0.588	S	S	.	*			trans	-50.4	127.5	176.3	-15.2	0	0	0	0	109.1	E160 E164 E165 R166	E160-T162 PolarHBondContact O-N 2.88Å; E160-T162 VanDerWaalsContact O-N 3.09Å; T162-E164 PolarHBondContact O-N 3.08Å; T162-E165 WeakPolarHBondContact O-CB 3.31Å; T162-E165 PolarHBondContact O-N 2.82Å; T162-E165 PolarHBondContact OG1-OE2 3.01Å; T162-R166 PolarHBondContact O-N 3.26Å
163	V	53.5	Low	50.7	Low	98 Å²	98	115.8 Å²	115.8	59%	0.594	58%	0.58	S	S	*	*	H	α-helix	trans	-56.7	-29.4	-174.8	177.1	0	0	0	0	111.6	F161	F161-V163 PolarHBondContact O-N 3.33Å
164	E	50	Low	52	Low	119 Å²	119	113.9 Å²	113.9	56%	0.556	57%	0.571	S	S	*	*	H	α-helix	trans	-68.2	-33.6	174.2	-65.1	-179.5	171.3	0	0	113.2	Q102 T162 Q167	Q102-E164 PolarHBondContact NE2-OE1 2.68Å; T162-E164 PolarHBondContact O-N 3.08Å; E164-Q167 PolarHBondContact O-N 3.06Å
165	E	52.3	Low	53.7	Low	64 Å²	64	114 Å²	114	30%	0.299	57%	0.57	S	S	.	*	H	α-helix	trans	-77.1	-24.6	178.6	-73.7	-176.6	120.5	0	0	113.3	T162 Q167 T168 H174	T162-E165 WeakPolarHBondContact O-CB 3.31Å; T162-E165 PolarHBondContact O-N 2.82Å; T162-E165 PolarHBondContact OG1-OE2 3.01Å; E165-Q167 PolarHBondContact O-N 2.82Å; E165-T168 PolarHBondContact O-N 3.45Å; E165-T168 PolarHBondContact O-OG1 2.93Å; E165-H174 IonicContact OE1-CE1 2.84Å; E165-H174 PolarHBondContact OE1-CE1 2.98Å; E165-H174 IonicContact OE1-ND1 2.64Å; E165-H174 IonicContact OE1-NE2 3.77Å
166	R	52.7	Low	55.5	Low	176 Å²	176	110.2 Å²	110.2	66%	0.664	56%	0.555	S	S	*	*	H	α-helix	trans	-63.9	-27	171.2	-82.1	-173.2	173.5	178.7	-0.4	112.2	F161 T162	F161-R166 HydrophobicContact CB-CG 4.47Å; T162-R166 PolarHBondContact O-N 3.26Å
167	Q	50.7	Low	57.3	Low	168 Å²	168	107.3 Å²	107.3	79%	0.785	54%	0.543	S	S	*	.	H	α-helix	trans	-85.5	-24.9	-178.6	-65	-174.3	2.6	0	0	113.5	E164 E165	E164-Q167 PolarHBondContact O-N 3.06Å; E165-Q167 PolarHBondContact O-N 2.82Å
168	T	57.8	Low	59	Low	80 Å²	80	104.8 Å²	104.8	49%	0.491	54%	0.537	S	S	.	.	S	Bend	trans	-85.7	-4.4	-175.6	59.7	0	0	0	0	114.7	E165 M170	E165-T168 PolarHBondContact O-N 3.45Å; E165-T168 PolarHBondContact O-OG1 2.93Å; T168-M170 PolarHBondContact O-N 2.86Å; T168-M170 VanDerWaalsContact O-N 3.13Å
169	G	58.7	Low	60.7	Low	41 Å²	41	101.6 Å²	101.6	42%	0.423	53%	0.525	S	S	.	.	S	Bend	trans	69.5	5.1	176.9	0	0	0	0	0	115.4	W172	G169-W172 VanDerWaalsContact O-CD1 3.29Å
170	M	68	Low	62.5	Low	84 Å²	84	97.3 Å²	97.3	41%	0.414	51%	0.51	S	S	.	.			trans	-91.7	4.7	-177.2	-73.1	-170.2	-73.8	0	0	115	T168 W172 R173	T168-M170 PolarHBondContact O-N 2.86Å; T168-M170 VanDerWaalsContact O-N 3.13Å; M170-W172 PolarHBondContact O-N 3.38Å; M170-W172 VanDerWaalsContact O-N 3.1Å; M170-R173 WeakPolarHBondContact O-CB 3.44Å; M170-R173 PolarHBondContact O-N 3.46Å
171	W	66.6	Low	63.9	Low	140 Å²	140	93.8 Å²	93.8	53%	0.53	50%	0.504	S	S	.	.	H	α-helix	trans	-51.6	-34.3	-179.7	68.8	-79.9	0	0	0	114.1	R173 H174 L175	W171-R173 VanDerWaalsContact C-N 3.29Å; W171-R173 PolarHBondContact O-N 3.45Å; W171-H174 PolarHBondContact O-N 2.98Å; W171-L175 HydrophobicContact CD2-CD1 4.5Å; W171-L175 HydrophobicContact CE3-CD1 3.25Å; W171-L175 HydrophobicContact CE3-CG 4.11Å; W171-L175 HydrophobicContact CH2-CD1 4.29Å; W171-L175 HydrophobicContact CZ3-CD1 3.13Å; W171-L175 HydrophobicContact CZ3-CG 4.4Å; W171-L175 PolarHBondContact O-N 2.78Å; W171-L175 VanDerWaalsContact O-N 3.11Å
172	W	70.8	Confident	65.2	Low	145 Å²	145	90.4 Å²	90.4	55%	0.549	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-31.2	179.2	69.1	-91.8	0	0	0	113	G169 M170 L175 V176	G169-W172 VanDerWaalsContact O-CD1 3.29Å; M170-W172 PolarHBondContact O-N 3.38Å; M170-W172 VanDerWaalsContact O-N 3.1Å; W172-L175 PolarHBondContact O-N 2.99Å; W172-V176 HydrophobicContact CE3-CG2 4.34Å; W172-V176 WeakPolarHBondContact O-CB 3.39Å; W172-V176 VanDerWaalsContact O-CG2 3.29Å; W172-V176 WeakPolarHBondContact O-CG2 3.43Å; W172-V176 PolarHBondContact O-N 3.07Å
173	R	73.2	Confident	66.6	Low	142 Å²	142	88.4 Å²	88.4	54%	0.536	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-41.2	178.5	-65.1	177.1	68.7	-176.4	1	110.7	M170 W171 V176 A177	M170-R173 WeakPolarHBondContact O-CB 3.44Å; M170-R173 PolarHBondContact O-N 3.46Å; W171-R173 VanDerWaalsContact C-N 3.29Å; W171-R173 PolarHBondContact O-N 3.45Å; R173-V176 PolarHBondContact O-N 2.72Å; R173-A177 VanDerWaalsContact O-CB 3.24Å; R173-A177 WeakPolarHBondContact O-CB 3.36Å; R173-A177 PolarHBondContact O-N 3.06Å
174	H	67.5	Low	68	Low	106 Å²	106	88.2 Å²	88.2	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-68.7	-38.1	176.2	-68.2	105.4	0	0	0	112	E165 W171 A177 G178	E165-H174 IonicContact OE1-CE1 2.84Å; E165-H174 PolarHBondContact OE1-CE1 2.98Å; E165-H174 IonicContact OE1-ND1 2.64Å; E165-H174 IonicContact OE1-NE2 3.77Å; W171-H174 PolarHBondContact O-N 2.98Å; H174-A177 PolarHBondContact O-N 2.59Å; H174-G178 PolarHBondContact O-N 3.29Å
175	L	70.3	Confident	69.6	Low	87 Å²	87	85.9 Å²	85.9	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-42.7	173.3	-71.4	-176.9	0	0	0	112.9	F161 W171 W172 G179	F161-L175 HydrophobicContact CZ-CD2 4.34Å; W171-L175 HydrophobicContact CD2-CD1 4.5Å; W171-L175 HydrophobicContact CE3-CD1 3.25Å; W171-L175 HydrophobicContact CE3-CG 4.11Å; W171-L175 HydrophobicContact CH2-CD1 4.29Å; W171-L175 HydrophobicContact CZ3-CD1 3.13Å; W171-L175 HydrophobicContact CZ3-CG 4.4Å; W171-L175 PolarHBondContact O-N 2.78Å; W171-L175 VanDerWaalsContact O-N 3.11Å; W172-L175 PolarHBondContact O-N 2.99Å; L175-G179 WeakPolarHBondContact O-CA 3.33Å; L175-G179 PolarHBondContact O-N 2.93Å
176	V	74.9	Confident	70.8	Confident	99 Å²	99	86.7 Å²	86.7	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-67.1	-40.5	176.6	172.3	0	0	0	0	110.5	W172 R173 G180	W172-V176 HydrophobicContact CE3-CG2 4.34Å; W172-V176 WeakPolarHBondContact O-CB 3.39Å; W172-V176 VanDerWaalsContact O-CG2 3.29Å; W172-V176 WeakPolarHBondContact O-CG2 3.43Å; W172-V176 PolarHBondContact O-N 3.07Å; R173-V176 PolarHBondContact O-N 2.72Å; V176-G180 PolarHBondContact O-N 3.49Å
177	A	75.6	Confident	72.4	Confident	61 Å²	61	80.9 Å²	80.9	50%	0.504	47%	0.468	S	S	.	.	H	α-helix	trans	-65.3	-46.3	176.4	0	0	0	0	0	112.2	R173 H174 G180 A181	R173-A177 VanDerWaalsContact O-CB 3.24Å; R173-A177 WeakPolarHBondContact O-CB 3.36Å; R173-A177 PolarHBondContact O-N 3.06Å; H174-A177 PolarHBondContact O-N 2.59Å; A177-G180 PolarHBondContact O-N 2.88Å; A177-A181 VanDerWaalsContact O-CB 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 3.33Å
178	G	72.8	Confident	74.1	Confident	46 Å²	46	77.4 Å²	77.4	47%	0.474	46%	0.462	S	S	.	.	H	α-helix	trans	-66.1	-41.7	176.5	0	0	0	0	0	112.5	H174 A181 G182	H174-G178 PolarHBondContact O-N 3.29Å; G178-A181 PolarHBondContact O-N 3.43Å; G178-G182 PolarHBondContact O-N 3.18Å
179	G	75.7	Confident	75.3	Confident	47 Å²	47	76 Å²	76	49%	0.485	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-43	173.5	0	0	0	0	0	112.3	L175 G182 A183	L175-G179 WeakPolarHBondContact O-CA 3.33Å; L175-G179 PolarHBondContact O-N 2.93Å; G179-G182 PolarHBondContact O-N 3.09Å; G179-A183 WeakPolarHBondContact O-CB 3.47Å; G179-A183 PolarHBondContact O-N 3.22Å
180	G	78.3	Confident	76.6	Confident	36 Å²	36	74.4 Å²	74.4	37%	0.371	44%	0.435	S	S	.	.	H	α-helix	trans	-63.4	-48.3	174.7	0	0	0	0	0	112.4	V176 A177 G182 A183 V184	V176-G180 PolarHBondContact O-N 3.49Å; A177-G180 PolarHBondContact O-N 2.88Å; G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 3.23Å; G180-A183 PolarHBondContact O-N 2.94Å; G180-V184 WeakPolarHBondContact O-CG2 3.43Å; G180-V184 PolarHBondContact O-N 3.18Å
181	A	77	Confident	77.6	Confident	61 Å²	61	71.1 Å²	71.1	50%	0.504	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-41.6	176.4	0	0	0	0	0	111.9	A177 G178 V184 S185	A177-A181 VanDerWaalsContact O-CB 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 3.33Å; G178-A181 PolarHBondContact O-N 3.43Å; A181-V184 PolarHBondContact O-N 2.96Å; A181-S185 WeakPolarHBondContact O-CB 3.48Å; A181-S185 PolarHBondContact O-N 2.87Å
182	G	73.8	Confident	78.6	Confident	28 Å²	28	69.6 Å²	69.6	29%	0.289	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-41.5	174.6	0	0	0	0	0	112.9	G178 G179 G180 S185 R186	G178-G182 PolarHBondContact O-N 3.18Å; G179-G182 PolarHBondContact O-N 3.09Å; G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 3.23Å; G182-S185 PolarHBondContact O-N 3.49Å; G182-R186 WeakPolarHBondContact O-CB 3.41Å; G182-R186 WeakPolarHBondContact O-CG 3.21Å; G182-R186 PolarHBondContact O-N 3.49Å
183	A	78.6	Confident	79.2	Confident	29 Å²	29	65.7 Å²	65.7	24%	0.24	41%	0.412	C	S	.	.	H	α-helix	trans	-64.8	-41.2	175.8	0	0	0	0	0	112.3	G179 G180 T187 V235	G179-A183 WeakPolarHBondContact O-CB 3.47Å; G179-A183 PolarHBondContact O-N 3.22Å; G180-A183 PolarHBondContact O-N 2.94Å; A183-T187 WeakPolarHBondContact O-CB 3.3Å; A183-T187 PolarHBondContact O-N 2.66Å; A183-T187 PolarHBondContact O-OG1 2.94Å; A183-V235 HydrophobicContact CB-CG1 3.71Å
184	V	83.4	Confident	79.8	Confident	93 Å²	93	61.4 Å²	61.4	56%	0.564	40%	0.396	S	S	*	.	H	α-helix	trans	-63.3	-50.2	175.1	171.8	0	0	0	0	110.4	G180 A181 R186 T187 C188	G180-V184 WeakPolarHBondContact O-CG2 3.43Å; G180-V184 PolarHBondContact O-N 3.18Å; A181-V184 PolarHBondContact O-N 2.96Å; V184-R186 PolarHBondContact O-N 2.88Å; V184-T187 WeakPolarHBondContact O-CB 3.33Å; V184-T187 PolarHBondContact O-N 3.42Å; V184-T187 VanDerWaalsContact O-N 3.11Å; V184-C188 PolarHBondContact O-N 3.41Å; V184-C188 PolarHBondContact O-SG 2.92Å; V184-C188 VanDerWaalsContact O-SG 3.36Å
185	S	82.5	Confident	80.7	Confident	70 Å²	70	56.7 Å²	56.7	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-54.5	-49.9	178.5	178.1	0	0	0	0	112	A181 G182 T187 C188 T189	A181-S185 WeakPolarHBondContact O-CB 3.48Å; A181-S185 PolarHBondContact O-N 2.87Å; G182-S185 PolarHBondContact O-N 3.49Å; S185-T187 VanDerWaalsContact C-N 3.31Å; S185-T187 PolarHBondContact O-N 3.37Å; S185-C188 WeakPolarHBondContact O-CB 3.47Å; S185-C188 PolarHBondContact O-N 3.48Å; S185-C188 VanDerWaalsContact O-N 3.12Å; S185-T189 PolarHBondContact O-N 3.3Å
186	R	78.8	Confident	81.4	Confident	81 Å²	81	58.5 Å²	58.5	31%	0.306	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-32.2	178.6	-71.8	-76.7	-162.4	115.6	2.3	113.3	G182 V184 C188 T189 A190 V235 I238	G182-R186 WeakPolarHBondContact O-CB 3.41Å; G182-R186 WeakPolarHBondContact O-CG 3.21Å; G182-R186 PolarHBondContact O-N 3.49Å; V184-R186 PolarHBondContact O-N 2.88Å; R186-C188 VanDerWaalsContact C-N 3.34Å; R186-T189 PolarHBondContact O-N 3.41Å; R186-T189 PolarHBondContact O-OG1 3.02Å; R186-A190 WeakPolarHBondContact O-CB 3.32Å; R186-A190 PolarHBondContact O-N 2.94Å; R186-V235 HydrophobicContact CB-CG2 4.26Å; R186-I238 HydrophobicContact CB-CD1 4.26Å; R186-I238 HydrophobicContact CG-CD1 3.66Å
187	T	85.1	Confident	81.9	Confident	55 Å²	55	57.8 Å²	57.8	34%	0.337	37%	0.374	S	S	.	.	H	α-helix	trans	-69	-35.5	174	-60.5	0	0	0	0	111.6	A183 V184 S185 W228 N231	A183-T187 WeakPolarHBondContact O-CB 3.3Å; A183-T187 PolarHBondContact O-N 2.66Å; A183-T187 PolarHBondContact O-OG1 2.94Å; V184-T187 WeakPolarHBondContact O-CB 3.33Å; V184-T187 PolarHBondContact O-N 3.42Å; V184-T187 VanDerWaalsContact O-N 3.11Å; S185-T187 VanDerWaalsContact C-N 3.31Å; S185-T187 PolarHBondContact O-N 3.37Å; T187-W228 PolarHBondContact O-NE1 3.23Å; T187-N231 PolarHBondContact OG1-ND2 2.94Å
188	C	85.8	Confident	82.2	Confident	95 Å²	95	55.7 Å²	55.7	64%	0.642	35%	0.354	S	S	*	.	H	α-helix	trans	-67.5	-37.7	172.6	-66.9	0	0	0	0	112.2	V184 S185 R186	V184-C188 PolarHBondContact O-N 3.41Å; V184-C188 PolarHBondContact O-SG 2.92Å; V184-C188 VanDerWaalsContact O-SG 3.36Å; S185-C188 WeakPolarHBondContact O-CB 3.47Å; S185-C188 PolarHBondContact O-N 3.48Å; S185-C188 VanDerWaalsContact O-N 3.12Å; R186-C188 VanDerWaalsContact C-N 3.34Å
189	T	84.8	Confident	82.7	Confident	51 Å²	51	56.2 Å²	56.2	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-85.5	-15.3	-179.6	66.2	0	0	0	0	114.5	S185 R186 P191 L192 D193	S185-T189 PolarHBondContact O-N 3.3Å; R186-T189 PolarHBondContact O-N 3.41Å; R186-T189 PolarHBondContact O-OG1 3.02Å; T189-P191 VanDerWaalsContact C-CD 3.44Å; T189-P191 VanDerWaalsContact O-N 3.16Å; T189-L192 WeakPolarHBondContact O-CB 3.3Å; T189-L192 PolarHBondContact O-N 2.86Å; T189-D193 PolarHBondContact O-N 3.4Å; T189-D193 PolarHBondContact OG1-OD2 3.47Å
190	A	85.5	Confident	83	Confident	6 Å²	6	60.1 Å²	60.1	5%	0.05	35%	0.351	C	S	.	.	H	α-helix	trans	-50.9	-39.9	-174.6	0	0	0	0	0	115.9	R186 L192 D193 R194 N231	R186-A190 WeakPolarHBondContact O-CB 3.32Å; R186-A190 PolarHBondContact O-N 2.94Å; A190-L192 VanDerWaalsContact C-N 3.32Å; A190-L192 PolarHBondContact O-N 3.47Å; A190-D193 PolarHBondContact O-N 2.95Å; A190-R194 WeakPolarHBondContact O-CB 3.28Å; A190-R194 PolarHBondContact O-N 2.71Å; A190-N231 HydrophobicContact CB-CB 3.94Å; A190-N231 WeakPolarHBondContact CB-OD1 3.4Å
191	P	88.2	Confident	83.1	Confident	15 Å²	15	63.7 Å²	63.7	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-38	176	-26.1	37.5	0	0	0	113.4	T189 L195 F215 L227 W228	T189-P191 VanDerWaalsContact C-CD 3.44Å; T189-P191 VanDerWaalsContact O-N 3.16Å; P191-L195 WeakPolarHBondContact O-CB 3.3Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-F215 HydrophobicContact CB-CE1 4.23Å; P191-L227 HydrophobicContact CB-CB 4.14Å; P191-L227 HydrophobicContact CG-CB 4.27Å; P191-W228 HydrophobicContact CG-CD2 4.11Å; P191-W228 VanDerWaalsContact CG-CE2 3.45Å; P191-W228 HydrophobicContact CG-CH2 4.09Å; P191-W228 HydrophobicContact CG-CZ2 3.45Å; P191-W228 VanDerWaalsContact CG-CZ2 3.45Å
192	L	88.1	Confident	82.8	Confident	108 Å²	108	64.2 Å²	64.2	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-74.2	-40.2	178.2	-70.4	167.7	0	0	0	111.1	T189 A190 R194 L195 K196 F215	T189-L192 WeakPolarHBondContact O-CB 3.3Å; T189-L192 PolarHBondContact O-N 2.86Å; A190-L192 VanDerWaalsContact C-N 3.32Å; A190-L192 PolarHBondContact O-N 3.47Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.89Å; L192-L195 PolarHBondContact O-N 3.37Å; L192-K196 WeakPolarHBondContact O-CB 3.48Å; L192-K196 PolarHBondContact O-N 2.92Å; L192-F215 HydrophobicContact CD2-CE2 4.33Å; L192-F215 HydrophobicContact CD2-CZ 3.81Å
193	D	83.9	Confident	82.3	Confident	64 Å²	64	66.6 Å²	66.6	34%	0.342	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-42.6	175.4	-70	-38.9	0	0	0	111.2	T189 A190 K196 V197	T189-D193 PolarHBondContact O-N 3.4Å; T189-D193 PolarHBondContact OG1-OD2 3.47Å; A190-D193 PolarHBondContact O-N 2.95Å; D193-K196 WeakPolarHBondContact O-CB 3.3Å; D193-K196 PolarHBondContact O-N 3.36Å; D193-V197 WeakPolarHBondContact O-CG2 3.25Å; D193-V197 PolarHBondContact O-N 3.29Å; D193-V197 VanDerWaalsContact O-N 3.14Å
194	R	85.1	Confident	81.1	Confident	52 Å²	52	69.7 Å²	69.7	20%	0.196	39%	0.393	C	S	.	.	H	α-helix	trans	-66.2	-41.6	175.6	-169.1	-176.8	171.4	-119.7	-11	111.6	A190 L192 K196 V197 L198 M218 E221 S226 L227	A190-R194 WeakPolarHBondContact O-CB 3.28Å; A190-R194 PolarHBondContact O-N 2.71Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.89Å; R194-K196 VanDerWaalsContact C-N 3.33Å; R194-K196 PolarHBondContact O-N 3.12Å; R194-V197 PolarHBondContact O-N 3.41Å; R194-L198 WeakPolarHBondContact O-CB 3.38Å; R194-L198 PolarHBondContact O-N 2.99Å; R194-M218 HydrophobicContact CB-CE 3.69Å; R194-M218 HydrophobicContact CG-CE 3.61Å; R194-E221 IonicContact CZ-OE2 3.81Å; R194-E221 IonicContact NH2-OE2 2.76Å; R194-E221 PolarHBondContact NH2-OE2 3.04Å; R194-S226 WeakPolarHBondContact CD-O 3.21Å; R194-S226 PolarHBondContact NE-O 3.49Å; R194-S226 PolarHBondContact NH1-O 3.1Å; R194-S226 PolarHBondContact NH1-OG 3.46Å; R194-L227 WeakPolarHBondContact CD-O 3.38Å
195	L	86.6	Confident	79.7	Confident	7 Å²	7	77.9 Å²	77.9	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-59.8	-45	174.8	175.9	66	0	0	0	111.3	P191 L192 V197 L198 M199 I211 F215 M218	P191-L195 WeakPolarHBondContact O-CB 3.3Å; P191-L195 PolarHBondContact O-N 3.41Å; L192-L195 PolarHBondContact O-N 3.37Å; L195-V197 VanDerWaalsContact C-N 3.34Å; L195-V197 PolarHBondContact O-N 2.98Å; L195-L198 PolarHBondContact O-N 3.36Å; L195-M199 HydrophobicContact CD1-CG 4Å; L195-M199 HydrophobicContact CD1-SD 4.01Å; L195-M199 HydrophobicContact CD2-SD 4.26Å; L195-M199 HydrophobicContact CG-CG 4.28Å; L195-M199 HydrophobicContact CG-SD 3.87Å; L195-M199 WeakPolarHBondContact O-CG 3.39Å; L195-M199 PolarHBondContact O-N 3.35Å; L195-I211 HydrophobicContact CD2-CB 4.46Å; L195-I211 HydrophobicContact CD2-CG2 3.79Å; L195-F215 HydrophobicContact CB-CE1 4.16Å; L195-F215 HydrophobicContact CB-CZ 4.27Å; L195-F215 HydrophobicContact CD2-CD1 4.47Å; L195-F215 HydrophobicContact CD2-CD2 3.75Å; L195-F215 HydrophobicContact CD2-CE1 4.14Å; L195-F215 HydrophobicContact CD2-CE2 3.38Å; L195-F215 HydrophobicContact CD2-CG 4.3Å; L195-F215 HydrophobicContact CD2-CZ 3.59Å; L195-F215 HydrophobicContact CG-CZ 4.49Å; L195-M218 HydrophobicContact CB-SD 3.97Å; L195-M218 HydrophobicContact CD1-SD 3.96Å
196	K	85.1	Confident	78.4	Confident	125 Å²	125	80.3 Å²	80.3	54%	0.543	43%	0.431	S	S	.	.	H	α-helix	trans	-56.3	-48.2	178	179.5	-178.9	177.8	179.9	0	111.4	L192 D193 R194 M199 Q200	L192-K196 WeakPolarHBondContact O-CB 3.48Å; L192-K196 PolarHBondContact O-N 2.92Å; D193-K196 WeakPolarHBondContact O-CB 3.3Å; D193-K196 PolarHBondContact O-N 3.36Å; R194-K196 VanDerWaalsContact C-N 3.33Å; R194-K196 PolarHBondContact O-N 3.12Å; K196-M199 PolarHBondContact O-N 2.91Å; K196-Q200 WeakPolarHBondContact O-CB 3.29Å; K196-Q200 VanDerWaalsContact O-CG 3.3Å; K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-N 2.87Å
197	V	84.3	Confident	77.4	Confident	83 Å²	83	80.8 Å²	80.8	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-44.3	177.1	174	0	0	0	0	111	D193 R194 L195 M199 Q200 V201	D193-V197 WeakPolarHBondContact O-CG2 3.25Å; D193-V197 PolarHBondContact O-N 3.29Å; D193-V197 VanDerWaalsContact O-N 3.14Å; R194-V197 PolarHBondContact O-N 3.41Å; L195-V197 VanDerWaalsContact C-N 3.34Å; L195-V197 PolarHBondContact O-N 2.98Å; V197-M199 VanDerWaalsContact C-N 3.33Å; V197-M199 PolarHBondContact O-N 3.11Å; V197-Q200 PolarHBondContact O-N 3.37Å; V197-V201 HydrophobicContact CG1-CG2 4.33Å; V197-V201 VanDerWaalsContact O-CG2 3.32Å; V197-V201 WeakPolarHBondContact O-CG2 3.37Å; V197-V201 PolarHBondContact O-N 2.93Å
198	L	83.6	Confident	76.4	Confident	18 Å²	18	86.5 Å²	86.5	9%	0.094	47%	0.468	C	S	.	.	H	α-helix	trans	-61.3	-42.3	179.5	-177.4	139.4	0	0	0	112	R194 L195 V201 H202 M209 M218	R194-L198 WeakPolarHBondContact O-CB 3.38Å; R194-L198 PolarHBondContact O-N 2.99Å; L195-L198 PolarHBondContact O-N 3.36Å; L198-V201 PolarHBondContact O-N 3.37Å; L198-H202 WeakPolarHBondContact O-CB 3.29Å; L198-H202 PolarHBondContact O-N 3Å; L198-H202 PolarHBondContact O-ND1 3.47Å; L198-M209 HydrophobicContact CD2-CE 3.44Å; L198-M209 VanDerWaalsContact CD2-CE 3.44Å; L198-M209 HydrophobicContact CD2-SD 4.37Å; L198-M218 HydrophobicContact CD1-CG 3.81Å
199	M	82.5	Confident	75.5	Confident	57 Å²	57	83.6 Å²	83.6	28%	0.281	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-41.1	175.7	-69.1	-180	72.9	0	0	111.9	L195 K196 V197 V201 H202 A203 I211	L195-M199 HydrophobicContact CD1-CG 4Å; L195-M199 HydrophobicContact CD1-SD 4.01Å; L195-M199 HydrophobicContact CD2-SD 4.26Å; L195-M199 HydrophobicContact CG-CG 4.28Å; L195-M199 HydrophobicContact CG-SD 3.87Å; L195-M199 WeakPolarHBondContact O-CG 3.39Å; L195-M199 PolarHBondContact O-N 3.35Å; K196-M199 PolarHBondContact O-N 2.91Å; V197-M199 VanDerWaalsContact C-N 3.33Å; V197-M199 PolarHBondContact O-N 3.11Å; M199-V201 VanDerWaalsContact C-N 3.34Å; M199-V201 PolarHBondContact O-N 3.37Å; M199-H202 PolarHBondContact O-N 3.43Å; M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.46Å; M199-I211 HydrophobicContact CE-CG1 4.24Å; M199-I211 HydrophobicContact SD-CG1 4.28Å
200	Q	83	Confident	75	Confident	129 Å²	129	85.2 Å²	85.2	60%	0.603	46%	0.458	S	S	*	.	H	α-helix	trans	-64.3	-37.2	176.7	-75.4	177.4	-22.5	0	0	112.6	K196 V197	K196-Q200 WeakPolarHBondContact O-CB 3.29Å; K196-Q200 VanDerWaalsContact O-CG 3.3Å; K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-N 2.87Å; V197-Q200 PolarHBondContact O-N 3.37Å
201	V	78.9	Confident	74.9	Confident	110 Å²	110	89.7 Å²	89.7	67%	0.667	48%	0.48	S	S	*	.	H	α-helix	trans	-74	-36.3	177.9	173.2	0	0	0	0	111.9	V197 L198 M199	V197-V201 HydrophobicContact CG1-CG2 4.33Å; V197-V201 VanDerWaalsContact O-CG2 3.32Å; V197-V201 WeakPolarHBondContact O-CG2 3.37Å; V197-V201 PolarHBondContact O-N 2.93Å; L198-V201 PolarHBondContact O-N 3.37Å; M199-V201 VanDerWaalsContact C-N 3.34Å; M199-V201 PolarHBondContact O-N 3.37Å
202	H	70.8	Confident	74.8	Confident	73 Å²	73	93.8 Å²	93.8	34%	0.338	51%	0.505	S	S	.	.	H	α-helix	trans	-91.3	-4	-178.3	-71.6	79.8	0	0	0	114.4	L198 M199 S204 M209	L198-H202 WeakPolarHBondContact O-CB 3.29Å; L198-H202 PolarHBondContact O-N 3Å; L198-H202 PolarHBondContact O-ND1 3.47Å; M199-H202 PolarHBondContact O-N 3.43Å; H202-S204 PolarHBondContact O-N 2.83Å; H202-M209 HydrophobicContact CB-CE 3.44Å; H202-M209 VanDerWaalsContact CB-CE 3.44Å
203	A	63.1	Low	74.5	Confident	77 Å²	77	90.2 Å²	90.2	64%	0.636	49%	0.494	S	S	*	.			trans	-72.3	63.5	171.6	0	0	0	0	0	111.1	M199	M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.46Å
204	S	55.3	Low	74.6	Confident	94 Å²	94	87.2 Å²	87.2	66%	0.657	48%	0.478	S	S	*	.	S	Bend	trans	-96.6	152.6	162	-175.5	0	0	0	0	109.1	H202 S206 N207	H202-S204 PolarHBondContact O-N 2.83Å; S204-S206 PolarHBondContact O-N 3.47Å; S204-N207 PolarHBondContact O-N 2.78Å
205	R	53.5	Low	74.7	Confident	265 Å²	265	87.3 Å²	87.3	100%	1	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-5.1	-164.3	-81.6	-158.3	179.9	-170.1	2.4	117.9
206	S	55.3	Low	74.7	Confident	122 Å²	122	89.6 Å²	89.6	85%	0.853	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-4.3	-176.8	-156.3	0	0	0	0	114.8	S204	S204-S206 PolarHBondContact O-N 3.47Å
207	N	57.8	Low	74.7	Confident	91 Å²	91	86.5 Å²	86.5	49%	0.487	48%	0.482	S	S	.	.			trans	-128	98.2	-172.2	-150.6	12.1	0	0	0	113.2	S204 M209	S204-N207 PolarHBondContact O-N 2.78Å; N207-M209 VanDerWaalsContact C-N 3.3Å; N207-M209 PolarHBondContact O-N 3.4Å; N207-M209 VanDerWaalsContact O-N 3.08Å
208	N	62.7	Low	74.9	Confident	174 Å²	174	82.5 Å²	82.5	93%	0.93	46%	0.458	S	S	*	.			trans	-82	73.5	171.7	-86.3	-29	0	0	0	110.3	C210	N208-C210 PolarHBondContact O-N 3.4Å
209	M	66.8	Low	75.3	Confident	35 Å²	35	85.6 Å²	85.6	17%	0.172	47%	0.473	C	S	.	.			trans	-72.7	120.3	177.8	-171	145.7	55.8	0	0	111.1	L198 H202 N207 Q217	L198-M209 HydrophobicContact CD2-CE 3.44Å; L198-M209 VanDerWaalsContact CD2-CE 3.44Å; L198-M209 HydrophobicContact CD2-SD 4.37Å; H202-M209 HydrophobicContact CB-CE 3.44Å; H202-M209 VanDerWaalsContact CB-CE 3.44Å; N207-M209 VanDerWaalsContact C-N 3.3Å; N207-M209 PolarHBondContact O-N 3.4Å; N207-M209 VanDerWaalsContact O-N 3.08Å; M209-Q217 PolarHBondContact SD-OE1 3.16Å
210	C	76.1	Confident	75.5	Confident	85 Å²	85	93 Å²	93	57%	0.574	50%	0.498	S	S	*	.			trans	-77.3	153.9	174.4	-178.3	0	0	0	0	111.3	N208 V212 G213 G214	N208-C210 PolarHBondContact O-N 3.4Å; C210-V212 VanDerWaalsContact C-N 3.27Å; C210-V212 PolarHBondContact O-N 3.36Å; C210-G213 CarbonylContact O-C 3.57Å; C210-G213 WeakPolarHBondContact O-CA 3.38Å; C210-G213 PolarHBondContact O-N 3.36Å; C210-G214 PolarHBondContact O-N 3.27Å
211	I	83.3	Confident	75.6	Confident	99 Å²	99	91.7 Å²	91.7	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-48.8	-46.4	177.2	-67.1	174.6	0	0	0	111.8	L195 M199 G213 G214 F215	L195-I211 HydrophobicContact CD2-CB 4.46Å; L195-I211 HydrophobicContact CD2-CG2 3.79Å; M199-I211 HydrophobicContact CE-CG1 4.24Å; M199-I211 HydrophobicContact SD-CG1 4.28Å; I211-G213 VanDerWaalsContact C-N 3.34Å; I211-G213 PolarHBondContact O-N 3.29Å; I211-G214 PolarHBondContact O-N 3.47Å; I211-F215 HydrophobicContact CG2-CD2 4.08Å; I211-F215 HydrophobicContact CG2-CE2 3.99Å; I211-F215 WeakPolarHBondContact O-CD2 3.36Å; I211-F215 PolarHBondContact O-N 3.33Å
212	V	84.3	Confident	75.8	Confident	102 Å²	102	88.9 Å²	88.9	62%	0.618	49%	0.486	S	S	*	.	H	α-helix	trans	-66.5	-37.8	178.9	-179.4	0	0	0	0	111.4	C210 T216	C210-V212 VanDerWaalsContact C-N 3.27Å; C210-V212 PolarHBondContact O-N 3.36Å; V212-T216 WeakPolarHBondContact O-CB 3.46Å; V212-T216 PolarHBondContact O-N 2.85Å; V212-T216 PolarHBondContact O-OG1 3.01Å
213	G	83.4	Confident	76.6	Confident	33 Å²	33	87 Å²	87	34%	0.34	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-42.8	175.1	0	0	0	0	0	112	C210 I211 T216 Q217	C210-G213 CarbonylContact O-C 3.57Å; C210-G213 WeakPolarHBondContact O-CA 3.38Å; C210-G213 PolarHBondContact O-N 3.36Å; I211-G213 VanDerWaalsContact C-N 3.34Å; I211-G213 PolarHBondContact O-N 3.29Å; G213-T216 PolarHBondContact O-N 2.95Å; G213-Q217 WeakPolarHBondContact O-CB 3.37Å; G213-Q217 PolarHBondContact O-N 3.46Å
214	G	85.3	Confident	77.6	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	48%	0.48	C	S	.	.	H	α-helix	trans	-62.9	-46.2	176.3	0	0	0	0	0	112.7	C210 I211 T216 Q217 M218	C210-G214 PolarHBondContact O-N 3.27Å; I211-G214 PolarHBondContact O-N 3.47Å; G214-T216 VanDerWaalsContact C-N 3.35Å; G214-T216 PolarHBondContact O-N 3.46Å; G214-Q217 PolarHBondContact O-N 2.91Å; G214-M218 WeakPolarHBondContact O-CG 3.34Å; G214-M218 PolarHBondContact O-N 2.9Å
215	F	88.2	Confident	79.1	Confident	54 Å²	54	91 Å²	91	24%	0.237	49%	0.488	C	S	.	.	H	α-helix	trans	-62.9	-40.7	173.6	-80.5	-57.1	0	0	0	112.7	P191 L192 L195 I211 Q217 M218 I219 L227	P191-F215 HydrophobicContact CB-CE1 4.23Å; L192-F215 HydrophobicContact CD2-CE2 4.33Å; L192-F215 HydrophobicContact CD2-CZ 3.81Å; L195-F215 HydrophobicContact CB-CE1 4.16Å; L195-F215 HydrophobicContact CB-CZ 4.27Å; L195-F215 HydrophobicContact CD2-CD1 4.47Å; L195-F215 HydrophobicContact CD2-CD2 3.75Å; L195-F215 HydrophobicContact CD2-CE1 4.14Å; L195-F215 HydrophobicContact CD2-CE2 3.38Å; L195-F215 HydrophobicContact CD2-CG 4.3Å; L195-F215 HydrophobicContact CD2-CZ 3.59Å; L195-F215 HydrophobicContact CG-CZ 4.49Å; I211-F215 HydrophobicContact CG2-CD2 4.08Å; I211-F215 HydrophobicContact CG2-CE2 3.99Å; I211-F215 WeakPolarHBondContact O-CD2 3.36Å; I211-F215 PolarHBondContact O-N 3.33Å; F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.41Å; F215-M218 HydrophobicContact CD1-SD 4.11Å; F215-M218 PolarHBondContact O-N 3Å; F215-I219 WeakPolarHBondContact O-CG1 3.48Å; F215-I219 PolarHBondContact O-N 2.97Å; F215-L227 HydrophobicContact CD1-CD2 3.84Å; F215-L227 HydrophobicContact CE1-CD2 4.29Å
216	T	86.4	Confident	80.6	Confident	56 Å²	56	78.7 Å²	78.7	34%	0.344	44%	0.443	S	S	.	.	H	α-helix	trans	-61.5	-42.4	177.3	-59.3	0	0	0	0	111.1	V212 G213 G214 I219 R220	V212-T216 WeakPolarHBondContact O-CB 3.46Å; V212-T216 PolarHBondContact O-N 2.85Å; V212-T216 PolarHBondContact O-OG1 3.01Å; G213-T216 PolarHBondContact O-N 2.95Å; G214-T216 VanDerWaalsContact C-N 3.35Å; G214-T216 PolarHBondContact O-N 3.46Å; T216-I219 PolarHBondContact O-N 3.46Å; T216-R220 WeakPolarHBondContact O-CB 3.35Å; T216-R220 VanDerWaalsContact O-CG 3.29Å; T216-R220 WeakPolarHBondContact O-CG 3.46Å; T216-R220 PolarHBondContact O-N 2.95Å
217	Q	85.1	Confident	82.1	Confident	59 Å²	59	73.9 Å²	73.9	28%	0.276	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-48.8	174.8	179.7	176.1	-21.5	0	0	111.3	M209 G213 G214 F215 I219 R220 E221	M209-Q217 PolarHBondContact SD-OE1 3.16Å; G213-Q217 WeakPolarHBondContact O-CB 3.37Å; G213-Q217 PolarHBondContact O-N 3.46Å; G214-Q217 PolarHBondContact O-N 2.91Å; F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.41Å; Q217-I219 VanDerWaalsContact C-N 3.29Å; Q217-I219 PolarHBondContact O-N 3.31Å; Q217-R220 PolarHBondContact O-N 3.02Å; Q217-R220 VanDerWaalsContact O-N 3.08Å; Q217-E221 WeakPolarHBondContact O-CG 3.47Å; Q217-E221 PolarHBondContact O-N 3.37Å
218	M	88.3	Confident	83.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-56.1	-43.8	177.8	-69.2	164.3	74.8	0	0	111.8	R194 L195 L198 G214 F215 E221 S226 L227	R194-M218 HydrophobicContact CB-CE 3.69Å; R194-M218 HydrophobicContact CG-CE 3.61Å; L195-M218 HydrophobicContact CB-SD 3.97Å; L195-M218 HydrophobicContact CD1-SD 3.96Å; L198-M218 HydrophobicContact CD1-CG 3.81Å; G214-M218 WeakPolarHBondContact O-CG 3.34Å; G214-M218 PolarHBondContact O-N 2.9Å; F215-M218 HydrophobicContact CD1-SD 4.11Å; F215-M218 PolarHBondContact O-N 3Å; M218-E221 WeakPolarHBondContact O-CB 3.21Å; M218-E221 PolarHBondContact O-N 2.99Å; M218-S226 WeakPolarHBondContact O-CB 3.47Å; M218-S226 PolarHBondContact O-OG 3.38Å; M218-L227 HydrophobicContact CB-CD2 3.92Å; M218-L227 HydrophobicContact CE-CD2 3.69Å; M218-L227 HydrophobicContact SD-CD2 4.29Å
219	I	90.4	Very high	84.7	Confident	82 Å²	82	75.9 Å²	75.9	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-68.9	-37.5	178.5	-67.2	171.9	0	0	0	111.2	F215 T216 Q217 E221 G222 G223 L227	F215-I219 WeakPolarHBondContact O-CG1 3.48Å; F215-I219 PolarHBondContact O-N 2.97Å; T216-I219 PolarHBondContact O-N 3.46Å; Q217-I219 VanDerWaalsContact C-N 3.29Å; Q217-I219 PolarHBondContact O-N 3.31Å; I219-E221 VanDerWaalsContact C-N 3.28Å; I219-E221 PolarHBondContact O-N 3.14Å; I219-G222 PolarHBondContact O-N 2.97Å; I219-G223 WeakPolarHBondContact O-CA 3.37Å; I219-G223 PolarHBondContact O-N 3Å; I219-L227 HydrophobicContact CG1-CD1 4.47Å; I219-L227 HydrophobicContact CG1-CD2 4.23Å; I219-L227 HydrophobicContact CG1-CG 4.44Å
220	R	87.1	Confident	85.4	Confident	213 Å²	213	76.3 Å²	76.3	80%	0.804	41%	0.409	S	S	*	.	H	α-helix	trans	-65.2	-29.4	175.8	-76.3	176.9	-179	-175.7	1.5	113.3	T216 Q217 G222	T216-R220 WeakPolarHBondContact O-CB 3.35Å; T216-R220 VanDerWaalsContact O-CG 3.29Å; T216-R220 WeakPolarHBondContact O-CG 3.46Å; T216-R220 PolarHBondContact O-N 2.95Å; Q217-R220 PolarHBondContact O-N 3.02Å; Q217-R220 VanDerWaalsContact O-N 3.08Å; R220-G222 VanDerWaalsContact C-N 3.35Å; R220-G222 PolarHBondContact O-N 3.37Å
221	E	86.3	Confident	85.7	Confident	102 Å²	102	73.2 Å²	73.2	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-67.3	-29.3	178.7	-72.7	166.5	-175	0	0	114	R194 Q217 M218 I219	R194-E221 IonicContact CZ-OE2 3.81Å; R194-E221 IonicContact NH2-OE2 2.76Å; R194-E221 PolarHBondContact NH2-OE2 3.04Å; Q217-E221 WeakPolarHBondContact O-CG 3.47Å; Q217-E221 PolarHBondContact O-N 3.37Å; M218-E221 WeakPolarHBondContact O-CB 3.21Å; M218-E221 PolarHBondContact O-N 2.99Å; I219-E221 VanDerWaalsContact C-N 3.28Å; I219-E221 PolarHBondContact O-N 3.14Å
222	G	81.8	Confident	85.6	Confident	51 Å²	51	71 Å²	71	53%	0.526	39%	0.389	S	S	.	.	H	α-helix	trans	-174.6	22.8	-171.9	0	0	0	0	0	116.2	I219 R220	I219-G222 PolarHBondContact O-N 2.97Å; R220-G222 VanDerWaalsContact C-N 3.35Å; R220-G222 PolarHBondContact O-N 3.37Å
223	G	88.3	Confident	85.5	Confident	32 Å²	32	72.6 Å²	72.6	33%	0.33	39%	0.392	S	S	.	.	S	Bend	trans	72.5	-172.7	-177.4	0	0	0	0	0	113.8	I219 K225 S226	I219-G223 WeakPolarHBondContact O-CA 3.37Å; I219-G223 PolarHBondContact O-N 3Å; G223-K225 PolarHBondContact O-N 3.39Å; G223-S226 VanDerWaalsContact O-CB 3.27Å; G223-S226 WeakPolarHBondContact O-CB 3.39Å; G223-S226 PolarHBondContact O-N 2.97Å; G223-S226 PolarHBondContact O-OG 2.88Å
224	A	84.4	Confident	85.1	Confident	64 Å²	64	73.4 Å²	73.4	53%	0.529	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30	-175.4	0	0	0	0	0	113.8	S226 L227 W228	A224-S226 PolarHBondContact O-N 3.04Å; A224-L227 WeakPolarHBondContact O-CB 3.27Å; A224-L227 WeakPolarHBondContact O-CG 3.15Å; A224-L227 PolarHBondContact O-N 3.39Å; A224-W228 WeakPolarHBondContact O-CZ3 3.26Å
225	K	85.4	Confident	84.7	Confident	191 Å²	191	75.3 Å²	75.3	83%	0.83	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-66	-22.4	177.1	-67	-173.6	179.4	-179.7	0	112.9	G223 L227 W228	G223-K225 PolarHBondContact O-N 3.39Å; K225-L227 PolarHBondContact O-N 2.94Å; K225-W228 PolarHBondContact O-N 3.2Å
226	S	86.4	Confident	84.4	Confident	8 Å²	8	79.2 Å²	79.2	6%	0.056	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28.9	178.5	81	0	0	0	0	111.6	R194 M218 G223 A224 W228 R229	R194-S226 WeakPolarHBondContact CD-O 3.21Å; R194-S226 PolarHBondContact NE-O 3.49Å; R194-S226 PolarHBondContact NH1-O 3.1Å; R194-S226 PolarHBondContact NH1-OG 3.46Å; M218-S226 WeakPolarHBondContact O-CB 3.47Å; M218-S226 PolarHBondContact O-OG 3.38Å; G223-S226 VanDerWaalsContact O-CB 3.27Å; G223-S226 WeakPolarHBondContact O-CB 3.39Å; G223-S226 PolarHBondContact O-N 2.97Å; G223-S226 PolarHBondContact O-OG 2.88Å; A224-S226 PolarHBondContact O-N 3.04Å; S226-W228 PolarHBondContact O-N 2.89Å; S226-W228 VanDerWaalsContact O-N 3.12Å; S226-R229 WeakPolarHBondContact O-CB 3.22Å; S226-R229 PolarHBondContact O-N 2.84Å
227	L	87.1	Confident	84	Confident	20 Å²	20	82.4 Å²	82.4	11%	0.105	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-56.9	-30.8	-178.3	-63.1	172.8	0	0	0	112.5	P191 R194 F215 M218 I219 A224 K225	P191-L227 HydrophobicContact CB-CB 4.14Å; P191-L227 HydrophobicContact CG-CB 4.27Å; R194-L227 WeakPolarHBondContact CD-O 3.38Å; F215-L227 HydrophobicContact CD1-CD2 3.84Å; F215-L227 HydrophobicContact CE1-CD2 4.29Å; M218-L227 HydrophobicContact CB-CD2 3.92Å; M218-L227 HydrophobicContact CE-CD2 3.69Å; M218-L227 HydrophobicContact SD-CD2 4.29Å; I219-L227 HydrophobicContact CG1-CD1 4.47Å; I219-L227 HydrophobicContact CG1-CD2 4.23Å; I219-L227 HydrophobicContact CG1-CG 4.44Å; A224-L227 WeakPolarHBondContact O-CB 3.27Å; A224-L227 WeakPolarHBondContact O-CG 3.15Å; A224-L227 PolarHBondContact O-N 3.39Å; K225-L227 PolarHBondContact O-N 2.94Å
228	W	89.7	Confident	83.4	Confident	108 Å²	108	81.3 Å²	81.3	41%	0.409	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-100.5	10	178.8	-68.8	-91.9	0	0	0	114	T187 P191 A224 K225 S226 G230 N231	T187-W228 PolarHBondContact O-NE1 3.23Å; P191-W228 HydrophobicContact CG-CD2 4.11Å; P191-W228 VanDerWaalsContact CG-CE2 3.45Å; P191-W228 HydrophobicContact CG-CH2 4.09Å; P191-W228 HydrophobicContact CG-CZ2 3.45Å; P191-W228 VanDerWaalsContact CG-CZ2 3.45Å; A224-W228 WeakPolarHBondContact O-CZ3 3.26Å; K225-W228 PolarHBondContact O-N 3.2Å; S226-W228 PolarHBondContact O-N 2.89Å; S226-W228 VanDerWaalsContact O-N 3.12Å; W228-G230 PolarHBondContact O-N 3.48Å; W228-G230 VanDerWaalsContact O-N 3.11Å; W228-N231 HydrophobicContact CB-CB 4.3Å; W228-N231 VanDerWaalsContact O-CB 3.26Å; W228-N231 WeakPolarHBondContact O-CB 3.41Å; W228-N231 PolarHBondContact O-N 3.33Å
229	R	84.3	Confident	82.8	Confident	199 Å²	199	84.7 Å²	84.7	75%	0.751	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	117.3	-179.9	-166.7	176.7	-174.9	117.4	0.1	109.6	S226	S226-R229 WeakPolarHBondContact O-CB 3.22Å; S226-R229 PolarHBondContact O-N 2.84Å
230	G	80.9	Confident	82.1	Confident	45 Å²	45	84.1 Å²	84.1	46%	0.464	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-6.4	-176.1	0	0	0	0	0	115.3	W228 G232 I233 N234	W228-G230 PolarHBondContact O-N 3.48Å; W228-G230 VanDerWaalsContact O-N 3.11Å; G230-G232 VanDerWaalsContact C-N 3.3Å; G230-G232 PolarHBondContact O-N 3.38Å; G230-I233 PolarHBondContact O-N 3.18Å; G230-N234 PolarHBondContact O-N 3.28Å; G230-N234 VanDerWaalsContact O-N 3.13Å
231	N	82.4	Confident	81.4	Confident	19 Å²	19	76.6 Å²	76.6	10%	0.102	43%	0.431	C	S	.	.	H	α-helix	trans	-59.3	-37.6	-179.7	-176.9	50.1	0	0	0	113	T187 A190 W228 I233 N234 V235	T187-N231 PolarHBondContact OG1-ND2 2.94Å; A190-N231 HydrophobicContact CB-CB 3.94Å; A190-N231 WeakPolarHBondContact CB-OD1 3.4Å; W228-N231 HydrophobicContact CB-CB 4.3Å; W228-N231 VanDerWaalsContact O-CB 3.26Å; W228-N231 WeakPolarHBondContact O-CB 3.41Å; W228-N231 PolarHBondContact O-N 3.33Å; N231-I233 VanDerWaalsContact C-N 3.32Å; N231-I233 PolarHBondContact O-N 3.27Å; N231-N234 CarbonylContact O-C 3.59Å; N231-N234 WeakPolarHBondContact O-CA 3.37Å; N231-N234 WeakPolarHBondContact O-CB 3.24Å; N231-N234 PolarHBondContact O-N 2.87Å; N231-N234 VanDerWaalsContact O-N 3.08Å; N231-V235 WeakPolarHBondContact O-CG2 3.29Å; N231-V235 PolarHBondContact O-N 3.46Å
232	G	81.9	Confident	80.6	Confident	54 Å²	54	73.8 Å²	73.8	56%	0.557	42%	0.423	S	S	*	.	H	α-helix	trans	-59.6	-41.2	178.4	0	0	0	0	0	113.2	G230 V235 L236	G230-G232 VanDerWaalsContact C-N 3.3Å; G230-G232 PolarHBondContact O-N 3.38Å; G232-V235 PolarHBondContact O-N 2.93Å; G232-L236 WeakPolarHBondContact O-CB 3.32Å; G232-L236 PolarHBondContact O-N 3.3Å
233	I	81.7	Confident	80.2	Confident	134 Å²	134	74.1 Å²	74.1	69%	0.687	42%	0.421	S	S	*	.	H	α-helix	trans	-68.7	-38.7	175.3	-62.4	171.8	0	0	0	110.1	G230 N231 V235 L236 K237	G230-I233 PolarHBondContact O-N 3.18Å; N231-I233 VanDerWaalsContact C-N 3.32Å; N231-I233 PolarHBondContact O-N 3.27Å; I233-V235 VanDerWaalsContact C-N 3.34Å; I233-V235 PolarHBondContact O-N 3.38Å; I233-L236 PolarHBondContact O-N 3.22Å; I233-K237 WeakPolarHBondContact O-CB 3.32Å; I233-K237 PolarHBondContact O-N 2.82Å
234	N	74.9	Confident	79.5	Confident	51 Å²	51	78.2 Å²	78.2	27%	0.273	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-40.6	177	-164.7	37.8	0	0	0	112	G230 N231 I238	G230-N234 PolarHBondContact O-N 3.28Å; G230-N234 VanDerWaalsContact O-N 3.13Å; N231-N234 CarbonylContact O-C 3.59Å; N231-N234 WeakPolarHBondContact O-CA 3.37Å; N231-N234 WeakPolarHBondContact O-CB 3.24Å; N231-N234 PolarHBondContact O-N 2.87Å; N231-N234 VanDerWaalsContact O-N 3.08Å; N234-I238 WeakPolarHBondContact O-CG1 3.5Å
235	V	77.5	Confident	78.9	Confident	39 Å²	39	81.1 Å²	81.1	24%	0.236	44%	0.435	C	S	.	.	H	α-helix	trans	-70.4	-43.9	176	175.1	0	0	0	0	111.1	A183 R186 N231 G232 I233 K237 I238	A183-V235 HydrophobicContact CB-CG1 3.71Å; R186-V235 HydrophobicContact CB-CG2 4.26Å; N231-V235 WeakPolarHBondContact O-CG2 3.29Å; N231-V235 PolarHBondContact O-N 3.46Å; G232-V235 PolarHBondContact O-N 2.93Å; I233-V235 VanDerWaalsContact C-N 3.34Å; I233-V235 PolarHBondContact O-N 3.38Å; V235-K237 VanDerWaalsContact C-N 3.3Å; V235-K237 PolarHBondContact O-N 3.11Å; V235-I238 WeakPolarHBondContact O-CB 3.5Å; V235-I238 WeakPolarHBondContact O-CG1 3.27Å; V235-I238 PolarHBondContact O-N 3.35Å
236	L	81.1	Confident	78.2	Confident	136 Å²	136	78.5 Å²	78.5	71%	0.712	42%	0.423	S	S	*	.	H	α-helix	trans	-62.7	-35.5	-180	-173.1	66	0	0	0	112.6	G232 I233 I238 P240	G232-L236 WeakPolarHBondContact O-CB 3.32Å; G232-L236 PolarHBondContact O-N 3.3Å; I233-L236 PolarHBondContact O-N 3.22Å; L236-I238 PolarHBondContact O-N 3.1Å; L236-P240 VanDerWaalsContact O-CD 3.28Å; L236-P240 WeakPolarHBondContact O-CD 3.49Å
237	K	80	Confident	77.5	Confident	124 Å²	124	84.2 Å²	84.2	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-65	-23	178.1	-179.7	-178.7	169	-171.2	0	113.3	I233 V235 A239 P240 E241	I233-K237 WeakPolarHBondContact O-CB 3.32Å; I233-K237 PolarHBondContact O-N 2.82Å; V235-K237 VanDerWaalsContact C-N 3.3Å; V235-K237 PolarHBondContact O-N 3.11Å; K237-A239 PolarHBondContact O-N 3.4Å; K237-P240 VanDerWaalsContact O-CD 3.26Å; K237-P240 WeakPolarHBondContact O-CD 3.46Å; K237-P240 WeakPolarHBondContact O-CG 3.18Å; K237-E241 VanDerWaalsContact O-CB 3.26Å; K237-E241 WeakPolarHBondContact O-CB 3.43Å; K237-E241 PolarHBondContact O-N 3Å; K237-E241 VanDerWaalsContact O-N 3.11Å
238	I	71.6	Confident	76.9	Confident	36 Å²	36	85.3 Å²	85.3	19%	0.185	46%	0.463	C	S	.	.	H	α-helix	trans	-63.6	-42	-174.7	-62.8	164.8	0	0	0	111.3	R186 N234 V235 L236 E241 S242	R186-I238 HydrophobicContact CB-CD1 4.26Å; R186-I238 HydrophobicContact CG-CD1 3.66Å; N234-I238 WeakPolarHBondContact O-CG1 3.5Å; V235-I238 WeakPolarHBondContact O-CB 3.5Å; V235-I238 WeakPolarHBondContact O-CG1 3.27Å; V235-I238 PolarHBondContact O-N 3.35Å; L236-I238 PolarHBondContact O-N 3.1Å; I238-E241 PolarHBondContact O-N 3.13Å; I238-S242 VanDerWaalsContact O-CB 3.27Å; I238-S242 WeakPolarHBondContact O-CB 3.42Å; I238-S242 PolarHBondContact O-N 3.47Å; I238-S242 PolarHBondContact O-OG 2.77Å; I238-S242 VanDerWaalsContact O-OG 3.04Å
239	A	74.6	Confident	75.9	Confident	70 Å²	70	86.3 Å²	86.3	58%	0.579	47%	0.467	S	S	*	.	H	α-helix	trans	-60	-54.2	-177.4	0	0	0	0	0	113	K237 S242 A243	K237-A239 PolarHBondContact O-N 3.4Å; A239-S242 PolarHBondContact O-N 3.01Å; A239-A243 WeakPolarHBondContact O-CB 3.26Å; A239-A243 PolarHBondContact O-N 3.43Å
240	P	77.6	Confident	75.2	Confident	70 Å²	70	81.4 Å²	81.4	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-67.5	-35.8	177.1	23.9	-32	0	0	0	112.7	L236 K237 A243 I244	L236-P240 VanDerWaalsContact O-CD 3.28Å; L236-P240 WeakPolarHBondContact O-CD 3.49Å; K237-P240 VanDerWaalsContact O-CD 3.26Å; K237-P240 WeakPolarHBondContact O-CD 3.46Å; K237-P240 WeakPolarHBondContact O-CG 3.18Å; P240-A243 PolarHBondContact O-N 3.3Å; P240-I244 VanDerWaalsContact O-CG1 3.29Å; P240-I244 WeakPolarHBondContact O-CG1 3.42Å; P240-I244 PolarHBondContact O-N 3.27Å
241	E	71.8	Confident	75	Confident	56 Å²	56	84 Å²	84	26%	0.262	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-47.3	176.4	-174.6	-173.4	142	0	0	111.6	K237 I238 K245	K237-E241 VanDerWaalsContact O-CB 3.26Å; K237-E241 WeakPolarHBondContact O-CB 3.43Å; K237-E241 PolarHBondContact O-N 3Å; K237-E241 VanDerWaalsContact O-N 3.11Å; I238-E241 PolarHBondContact O-N 3.13Å; E241-K245 HydrophobicContact CG-CD 4.44Å; E241-K245 WeakPolarHBondContact O-CG 3.5Å; E241-K245 PolarHBondContact O-N 3.39Å; E241-K245 VanDerWaalsContact O-N 3.1Å; E241-K245 IonicContact OE1-NZ 3.58Å; E241-K245 PolarHBondContact OE1-NZ 2.96Å
242	S	69.5	Low	74.7	Confident	43 Å²	43	89.1 Å²	89.1	30%	0.301	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-42.8	176.7	-66	0	0	0	0	111.4	I238 A239 I244 K245 F246	I238-S242 VanDerWaalsContact O-CB 3.27Å; I238-S242 WeakPolarHBondContact O-CB 3.42Å; I238-S242 PolarHBondContact O-N 3.47Å; I238-S242 PolarHBondContact O-OG 2.77Å; I238-S242 VanDerWaalsContact O-OG 3.04Å; A239-S242 PolarHBondContact O-N 3.01Å; S242-I244 VanDerWaalsContact C-N 3.33Å; S242-I244 PolarHBondContact O-N 2.9Å; S242-K245 PolarHBondContact O-N 3.08Å; S242-F246 WeakPolarHBondContact O-CD2 3.37Å; S242-F246 PolarHBondContact O-N 3.11Å
243	A	72	Confident	73.9	Confident	58 Å²	58	91.1 Å²	91.1	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-43.1	178.5	0	0	0	0	0	112.4	A239 P240 F246 M247	A239-A243 WeakPolarHBondContact O-CB 3.26Å; A239-A243 PolarHBondContact O-N 3.43Å; P240-A243 PolarHBondContact O-N 3.3Å; A243-F246 PolarHBondContact O-N 2.96Å; A243-M247 WeakPolarHBondContact O-CB 3.4Å; A243-M247 PolarHBondContact O-N 2.57Å
244	I	75.3	Confident	73.4	Confident	118 Å²	118	92 Å²	92	61%	0.605	47%	0.466	S	S	*	.	H	α-helix	trans	-66.1	-42.6	176.9	-67.2	166.7	0	0	0	110.8	P240 S242 M247 A248	P240-I244 VanDerWaalsContact O-CG1 3.29Å; P240-I244 WeakPolarHBondContact O-CG1 3.42Å; P240-I244 PolarHBondContact O-N 3.27Å; S242-I244 VanDerWaalsContact C-N 3.33Å; S242-I244 PolarHBondContact O-N 2.9Å; I244-M247 PolarHBondContact O-N 3.38Å; I244-A248 VanDerWaalsContact O-CB 3.3Å; I244-A248 WeakPolarHBondContact O-CB 3.48Å; I244-A248 PolarHBondContact O-N 3.05Å
245	K	70.3	Confident	73.5	Confident	125 Å²	125	95.2 Å²	95.2	54%	0.543	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-45.3	176.4	-76.4	171.9	173.2	171.6	0	111.9	E241 S242 A248 Y249	E241-K245 HydrophobicContact CG-CD 4.44Å; E241-K245 WeakPolarHBondContact O-CG 3.5Å; E241-K245 PolarHBondContact O-N 3.39Å; E241-K245 VanDerWaalsContact O-N 3.1Å; E241-K245 IonicContact OE1-NZ 3.58Å; E241-K245 PolarHBondContact OE1-NZ 2.96Å; S242-K245 PolarHBondContact O-N 3.08Å; K245-A248 PolarHBondContact O-N 3.28Å; K245-Y249 VanDerWaalsContact O-CB 3.28Å; K245-Y249 WeakPolarHBondContact O-CB 3.36Å; K245-Y249 PolarHBondContact O-N 3.02Å
246	F	71.6	Confident	73.3	Confident	135 Å²	135	99 Å²	99	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-62.5	-46.4	176.4	-83.7	-67.3	0	0	0	111.7	S242 A243 A248 Y249 E250	S242-F246 WeakPolarHBondContact O-CD2 3.37Å; S242-F246 PolarHBondContact O-N 3.11Å; A243-F246 PolarHBondContact O-N 2.96Å; F246-A248 PolarHBondContact O-N 3.12Å; F246-Y249 PolarHBondContact O-N 3.35Å; F246-E250 PolarHBondContact O-N 2.72Å
247	M	71.9	Confident	72.3	Confident	129 Å²	129	94.5 Å²	94.5	64%	0.635	49%	0.492	S	S	*	.	H	α-helix	trans	-60	-47.3	176.2	-178.1	-176.1	-74.7	0	0	111.4	A243 I244 Y249 E250 Q251	A243-M247 WeakPolarHBondContact O-CB 3.4Å; A243-M247 PolarHBondContact O-N 2.57Å; I244-M247 PolarHBondContact O-N 3.38Å; M247-Y249 VanDerWaalsContact C-N 3.35Å; M247-Y249 PolarHBondContact O-N 2.8Å; M247-E250 PolarHBondContact O-N 2.76Å; M247-Q251 WeakPolarHBondContact O-CG 3.35Å; M247-Q251 PolarHBondContact O-N 3.21Å
248	A	73.4	Confident	71	Confident	43 Å²	43	92 Å²	92	36%	0.355	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-41.9	178.7	0	0	0	0	0	111.8	I244 K245 F246 Q251 M252	I244-A248 VanDerWaalsContact O-CB 3.3Å; I244-A248 WeakPolarHBondContact O-CB 3.48Å; I244-A248 PolarHBondContact O-N 3.05Å; K245-A248 PolarHBondContact O-N 3.28Å; F246-A248 PolarHBondContact O-N 3.12Å; A248-Q251 PolarHBondContact O-N 2.75Å; A248-M252 WeakPolarHBondContact O-CB 3.29Å; A248-M252 VanDerWaalsContact O-CG 3.3Å; A248-M252 WeakPolarHBondContact O-CG 3.39Å; A248-M252 PolarHBondContact O-N 2.94Å
249	Y	69.8	Low	69.9	Low	129 Å²	129	96.5 Å²	96.5	51%	0.506	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-46.8	175.9	179	-97.7	0	0	0	111.8	K245 F246 M247 Q251 M252 K253	K245-Y249 VanDerWaalsContact O-CB 3.28Å; K245-Y249 WeakPolarHBondContact O-CB 3.36Å; K245-Y249 PolarHBondContact O-N 3.02Å; F246-Y249 PolarHBondContact O-N 3.35Å; M247-Y249 VanDerWaalsContact C-N 3.35Å; M247-Y249 PolarHBondContact O-N 2.8Å; Y249-Q251 VanDerWaalsContact C-N 3.32Å; Y249-Q251 PolarHBondContact O-N 3.13Å; Y249-M252 PolarHBondContact O-N 3.48Å; Y249-K253 HydrophobicContact CE1-CD 4.05Å; Y249-K253 VanDerWaalsContact O-CB 3.31Å; Y249-K253 WeakPolarHBondContact O-CB 3.34Å; Y249-K253 PolarHBondContact O-N 2.98Å
250	E	70.2	Confident	68.6	Low	95 Å²	95	101.9 Å²	101.9	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-40.7	176.6	-79.1	-163.1	178.2	0	0	112.1	F246 M247 R254	F246-E250 PolarHBondContact O-N 2.72Å; M247-E250 PolarHBondContact O-N 2.76Å; E250-R254 WeakPolarHBondContact O-CB 3.36Å; E250-R254 VanDerWaalsContact O-CG 3.25Å; E250-R254 WeakPolarHBondContact O-CG 3.26Å; E250-R254 PolarHBondContact O-N 3.29Å; E250-R254 IonicContact OE2-NH2 3.56Å
251	Q	76	Confident	67	Low	100 Å²	100	107.3 Å²	107.3	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-65.2	-44.8	177	-67.4	-64.1	-25.5	0	0	111.4	M247 A248 Y249 R254 L255	M247-Q251 WeakPolarHBondContact O-CG 3.35Å; M247-Q251 PolarHBondContact O-N 3.21Å; A248-Q251 PolarHBondContact O-N 2.75Å; Y249-Q251 VanDerWaalsContact C-N 3.32Å; Y249-Q251 PolarHBondContact O-N 3.13Å; Q251-R254 PolarHBondContact O-N 3.38Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.28Å; Q251-L255 PolarHBondContact O-N 3.3Å
252	M	74.9	Confident	65.4	Low	127 Å²	127	110 Å²	110	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-64.3	-42.7	176.8	-73.6	177.2	178.1	0	0	112.1	A248 Y249 R254 L255 V256	A248-M252 WeakPolarHBondContact O-CB 3.29Å; A248-M252 VanDerWaalsContact O-CG 3.3Å; A248-M252 WeakPolarHBondContact O-CG 3.39Å; A248-M252 PolarHBondContact O-N 2.94Å; Y249-M252 PolarHBondContact O-N 3.48Å; M252-R254 VanDerWaalsContact C-N 3.32Å; M252-R254 PolarHBondContact O-N 2.86Å; M252-L255 PolarHBondContact O-N 3.45Å; M252-V256 WeakPolarHBondContact O-CG2 3.37Å; M252-V256 PolarHBondContact O-N 3.08Å
253	K	65.1	Low	63.7	Low	95 Å²	95	119.7 Å²	119.7	41%	0.413	62%	0.615	S	S	.	*	H	α-helix	trans	-61.6	-40.5	176.5	-176.4	171.8	175.4	171.9	0	111.3	E160 Y249 G257	E160-K253 IonicContact OE1-NZ 3.71Å; E160-K253 PolarHBondContact OE1-NZ 3.24Å; E160-K253 IonicContact OE2-NZ 3.16Å; E160-K253 PolarHBondContact OE2-NZ 3.35Å; Y249-K253 HydrophobicContact CE1-CD 4.05Å; Y249-K253 VanDerWaalsContact O-CB 3.31Å; Y249-K253 WeakPolarHBondContact O-CB 3.34Å; Y249-K253 PolarHBondContact O-N 2.98Å; K253-G257 PolarHBondContact O-N 3.41Å
254	R	72.4	Confident	63.3	Low	152 Å²	152	122.8 Å²	122.8	57%	0.574	62%	0.621	S	S	*	*	H	α-helix	trans	-63.5	-47.5	173.9	-73	174.6	-166.1	-162.8	7.2	111.5	E250 Q251 M252 V256 G257 S258	E250-R254 WeakPolarHBondContact O-CB 3.36Å; E250-R254 VanDerWaalsContact O-CG 3.25Å; E250-R254 WeakPolarHBondContact O-CG 3.26Å; E250-R254 PolarHBondContact O-N 3.29Å; E250-R254 IonicContact OE2-NH2 3.56Å; Q251-R254 PolarHBondContact O-N 3.38Å; M252-R254 VanDerWaalsContact C-N 3.32Å; M252-R254 PolarHBondContact O-N 2.86Å; R254-V256 PolarHBondContact O-N 2.97Å; R254-G257 PolarHBondContact O-N 3.41Å; R254-S258 PolarHBondContact O-N 3.36Å; R254-S258 PolarHBondContact O-OG 3.18Å
255	L	75.9	Confident	62.6	Low	120 Å²	120	123 Å²	123	63%	0.628	62%	0.622	S	S	*	*	H	α-helix	trans	-61.5	-42.8	-179.6	-71.7	168.6	0	0	0	112.4	Q251 M252	Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.28Å; Q251-L255 PolarHBondContact O-N 3.3Å; M252-L255 PolarHBondContact O-N 3.45Å
256	V	74.6	Confident	62.2	Low	117 Å²	117	122.9 Å²	122.9	71%	0.709	63%	0.627	S	S	*	*	H	α-helix	trans	-76.6	-33.6	179.4	176.4	0	0	0	0	112	M252 R254 S258	M252-V256 WeakPolarHBondContact O-CG2 3.37Å; M252-V256 PolarHBondContact O-N 3.08Å; R254-V256 PolarHBondContact O-N 2.97Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 PolarHBondContact O-N 3.35Å
257	G	58.9	Low	61.6	Low	43 Å²	43	122.2 Å²	122.2	44%	0.443	63%	0.629	S	S	.	*	H	α-helix	trans	-77.3	-9.6	175.6	0	0	0	0	0	114.7	K253 R254 D259	K253-G257 PolarHBondContact O-N 3.41Å; R254-G257 PolarHBondContact O-N 3.41Å; G257-D259 VanDerWaalsContact C-N 3.28Å; G257-D259 PolarHBondContact O-N 2.84Å
258	S	53.2	Low	61	Low	70 Å²	70	121.8 Å²	121.8	49%	0.49	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-71.6	-21.1	178.8	-59.3	0	0	0	0	113.1	R254 V256 Q260	R254-S258 PolarHBondContact O-N 3.36Å; R254-S258 PolarHBondContact O-OG 3.18Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 PolarHBondContact O-N 3.35Å; S258-Q260 VanDerWaalsContact C-N 3.32Å; S258-Q260 PolarHBondContact O-N 3.11Å
259	D	49.7	Very low	60.2	Low	132 Å²	132	127 Å²	127	71%	0.706	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-86	2.5	-174.7	-73.3	-20.4	0	0	0	113.9	G257	G257-D259 VanDerWaalsContact C-N 3.28Å; G257-D259 PolarHBondContact O-N 2.84Å
260	Q	47.4	Very low	59.5	Low	182 Å²	182	126.9 Å²	126.9	85%	0.85	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-108.9	-1.8	-178.2	-104.1	-177.7	-19.4	0	0	115.8	S258	S258-Q260 VanDerWaalsContact C-N 3.32Å; S258-Q260 PolarHBondContact O-N 3.11Å
261	E	43.2	Very low	58.7	Low	184 Å²	184	129.3 Å²	129.3	86%	0.86	67%	0.673	S	S	*	*	S	Bend	trans	-107.7	6.4	175.4	-78.7	-166.6	134.4	0	0	114.5
262	T	38.6	Very low	57.2	Low	114 Å²	114	131.8 Å²	131.8	70%	0.699	69%	0.69	S	S	*	*			trans	-135	71.8	171	46.2	0	0	0	0	111.5
263	L	32.6	Very low	55.6	Low	245 Å²	245	132.2 Å²	132.2	100%	1.283	70%	0.696	S	S	*	*			trans	-154.3	0	151.8	-93.6	176.3	0	0	0	109.6

Retrieved 263 of 263 residues in 189.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).