A0A5K4F6E4_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6E4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	47.5	Very low	241 Å²	241	128.8 Å²	128.8	100%	1.187	67%	0.674	S	S	*	*				0	77.3	0	-78.3	172.2	162.4	0	0	107.1
2	S	43.5	Very low	49.2	Very low	89 Å²	89	128.8 Å²	128.8	62%	0.622	66%	0.66	S	S	*	*			trans	-162.1	-12.4	170.6	-86.2	0	0	0	0	114.8	R4	S2-R4 PolarHBondContact O-N 3.31Å; S2-R4 VanDerWaalsContact O-N 3.15Å
3	D	44.4	Very low	50.7	Low	137 Å²	137	126.7 Å²	126.7	73%	0.733	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-0.4	-167.9	-48.2	-90	0	0	0	115.3
4	R	41	Very low	52.2	Low	226 Å²	226	124.9 Å²	124.9	85%	0.853	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-26.9	-179.9	-104.9	-175.5	166.5	172.9	-4.8	114.4	S2	S2-R4 PolarHBondContact O-N 3.31Å; S2-R4 VanDerWaalsContact O-N 3.15Å
5	D	41.6	Very low	53.5	Low	119 Å²	119	117.7 Å²	117.7	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-83.2	-34.6	-177.9	-74.7	-102.2	0	0	0	112.4	L7 S8 D9	D5-L7 VanDerWaalsContact C-N 3.33Å; D5-L7 PolarHBondContact O-N 2.9Å; D5-S8 PolarHBondContact O-N 3.06Å; D5-D9 PolarHBondContact O-N 3.16Å
6	T	45.5	Very low	54.8	Low	80 Å²	80	112.3 Å²	112.3	49%	0.491	58%	0.581	S	S	.	*	H	α-helix	trans	-67.1	-30.5	-177.1	45.3	0	0	0	0	114.1	I10	T6-I10 WeakPolarHBondContact O-CD1 3.39Å; T6-I10 WeakPolarHBondContact O-CG1 3.35Å; T6-I10 PolarHBondContact O-N 3.44Å; T6-I10 VanDerWaalsContact O-N 3.16Å
7	L	41.1	Very low	56.2	Low	126 Å²	126	112.7 Å²	112.7	66%	0.66	58%	0.58	S	S	*	*	H	α-helix	trans	-68.9	-37.3	175.8	-92.3	163.4	0	0	0	111.4	D5 L11	D5-L7 VanDerWaalsContact C-N 3.33Å; D5-L7 PolarHBondContact O-N 2.9Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 PolarHBondContact O-N 3.38Å
8	S	51.5	Low	57.3	Low	80 Å²	80	108.2 Å²	108.2	56%	0.559	56%	0.562	S	S	*	*	H	α-helix	trans	-68	-40.5	177.4	-76	0	0	0	0	112	D5 Y12	D5-S8 PolarHBondContact O-N 3.06Å; S8-Y12 WeakPolarHBondContact O-CB 3.3Å; S8-Y12 PolarHBondContact O-N 2.73Å
9	D	56.8	Low	58.4	Low	116 Å²	116	102.8 Å²	102.8	62%	0.62	53%	0.534	S	S	*	.	H	α-helix	trans	-66.8	-43.9	176.8	-83.2	-76.7	0	0	0	112.9	D5 Y12 N13	D5-D9 PolarHBondContact O-N 3.16Å; D9-Y12 PolarHBondContact O-N 3.43Å; D9-N13 PolarHBondContact O-N 3.19Å
10	I	60.7	Low	59.5	Low	105 Å²	105	103.8 Å²	103.8	54%	0.538	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-47.8	177.7	-65.1	164	0	0	0	109.5	T6 Y12 N13 D14	T6-I10 WeakPolarHBondContact O-CD1 3.39Å; T6-I10 WeakPolarHBondContact O-CG1 3.35Å; T6-I10 PolarHBondContact O-N 3.44Å; T6-I10 VanDerWaalsContact O-N 3.16Å; I10-Y12 VanDerWaalsContact C-N 3.33Å; I10-Y12 PolarHBondContact O-N 3.4Å; I10-N13 PolarHBondContact O-N 3.36Å; I10-D14 PolarHBondContact O-N 3.49Å
11	L	62.4	Low	60.5	Low	98 Å²	98	105.5 Å²	105.5	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-62.5	-41.8	178.6	-170.6	69.4	0	0	0	111.1	L7 N13 D14 L15	L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 PolarHBondContact O-N 3.38Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.25Å; L11-D14 PolarHBondContact O-N 3.47Å; L11-L15 HydrophobicContact CD1-CD1 4.41Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CD2-CD1 4.23Å; L11-L15 HydrophobicContact CG-CD1 3.75Å; L11-L15 HydrophobicContact CG-CG 4.16Å; L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 2.75Å
12	Y	67.3	Low	62.6	Low	129 Å²	129	94.3 Å²	94.3	51%	0.506	48%	0.483	S	S	.	.	H	α-helix	trans	-60.3	-39.5	177	-167.9	-85.2	0	0	0	111.8	S8 D9 I10 S16 L67 I71	S8-Y12 WeakPolarHBondContact O-CB 3.3Å; S8-Y12 PolarHBondContact O-N 2.73Å; D9-Y12 PolarHBondContact O-N 3.43Å; I10-Y12 VanDerWaalsContact C-N 3.33Å; I10-Y12 PolarHBondContact O-N 3.4Å; Y12-S16 VanDerWaalsContact O-CB 3.25Å; Y12-S16 WeakPolarHBondContact O-CB 3.37Å; Y12-S16 PolarHBondContact O-N 2.83Å; Y12-L67 HydrophobicContact CE2-CD2 4.24Å; Y12-L67 WeakPolarHBondContact OH-CD2 3.16Å; Y12-I71 HydrophobicContact CD2-CD1 3.43Å; Y12-I71 VanDerWaalsContact CD2-CD1 3.43Å; Y12-I71 HydrophobicContact CE2-CD1 3.28Å; Y12-I71 HydrophobicContact CG-CD1 4.43Å
13	N	69.3	Low	64.6	Low	101 Å²	101	90.4 Å²	90.4	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-68.3	-45.4	177.1	-173.9	84.2	0	0	0	112.4	D9 I10 L11 L15 S16 Q17	D9-N13 PolarHBondContact O-N 3.19Å; I10-N13 PolarHBondContact O-N 3.36Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.25Å; N13-L15 VanDerWaalsContact C-N 3.34Å; N13-S16 PolarHBondContact O-N 3.43Å; N13-Q17 PolarHBondContact O-N 2.97Å
14	D	71.8	Confident	66.1	Low	102 Å²	102	92 Å²	92	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-42.4	174.9	-94.1	-88.5	0	0	0	111.6	I10 L11 Q17 A18	I10-D14 PolarHBondContact O-N 3.49Å; L11-D14 PolarHBondContact O-N 3.47Å; D14-Q17 PolarHBondContact O-N 3.11Å; D14-A18 WeakPolarHBondContact O-CB 3.18Å; D14-A18 PolarHBondContact O-N 2.82Å
15	L	71	Confident	68	Low	17 Å²	17	86.4 Å²	86.4	9%	0.089	44%	0.442	C	S	.	.	H	α-helix	trans	-66.5	-37.5	176.6	-68.4	173.7	0	0	0	111.9	L11 N13 A18 F19 I71 L74	L11-L15 HydrophobicContact CD1-CD1 4.41Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CD2-CD1 4.23Å; L11-L15 HydrophobicContact CG-CD1 3.75Å; L11-L15 HydrophobicContact CG-CG 4.16Å; L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 2.75Å; N13-L15 VanDerWaalsContact C-N 3.34Å; L15-A18 PolarHBondContact O-N 2.97Å; L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 3.43Å; L15-I71 HydrophobicContact CB-CG1 4.32Å; L15-I71 HydrophobicContact CD1-CB 4.34Å; L15-I71 HydrophobicContact CD1-CG1 3.96Å; L15-I71 HydrophobicContact CD1-CG2 3.9Å; L15-L74 HydrophobicContact CD2-CB 4.04Å; L15-L74 HydrophobicContact CD2-CD1 3.27Å; L15-L74 HydrophobicContact CD2-CG 4.25Å
16	S	75	Confident	69.9	Low	30 Å²	30	87.8 Å²	87.8	21%	0.21	45%	0.445	C	S	.	.	H	α-helix	trans	-68.3	-36.1	175.6	-174.2	0	0	0	0	112.1	Y12 N13 K20	Y12-S16 VanDerWaalsContact O-CB 3.25Å; Y12-S16 WeakPolarHBondContact O-CB 3.37Å; Y12-S16 PolarHBondContact O-N 2.83Å; N13-S16 PolarHBondContact O-N 3.43Å; S16-K20 PolarHBondContact O-N 3.21Å; S16-K20 VanDerWaalsContact O-N 3.1Å
17	Q	78.3	Confident	71.6	Confident	120 Å²	120	88.7 Å²	88.7	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-66.5	-44.3	171.5	-77.5	-71.1	-66	0	0	111.4	N13 D14 F19 K20 F21	N13-Q17 PolarHBondContact O-N 2.97Å; D14-Q17 PolarHBondContact O-N 3.11Å; Q17-F19 VanDerWaalsContact C-N 3.32Å; Q17-F19 PolarHBondContact O-N 3.45Å; Q17-K20 PolarHBondContact O-N 2.94Å; Q17-F21 WeakPolarHBondContact O-CB 2.98Å; Q17-F21 PolarHBondContact O-N 3.01Å
18	A	76.1	Confident	73.5	Confident	31 Å²	31	84.1 Å²	84.1	26%	0.256	43%	0.43	S	S	.	.	H	α-helix	trans	-62	-40.4	176.1	0	0	0	0	0	111.8	D14 L15 F21 I22	D14-A18 WeakPolarHBondContact O-CB 3.18Å; D14-A18 PolarHBondContact O-N 2.82Å; L15-A18 PolarHBondContact O-N 2.97Å; A18-F21 WeakPolarHBondContact O-CB 3.15Å; A18-F21 PolarHBondContact O-N 3.33Å; A18-I22 WeakPolarHBondContact O-CG1 3.02Å; A18-I22 PolarHBondContact O-N 3.43Å
19	F	77.5	Confident	75.1	Confident	6 Å²	6	82.8 Å²	82.8	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-58.9	-53	175	-171.3	-83.1	0	0	0	110.8	L15 Q17 F21 I22 D23 G28 L30 L67 F70	L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 3.43Å; Q17-F19 VanDerWaalsContact C-N 3.32Å; Q17-F19 PolarHBondContact O-N 3.45Å; F19-F21 PolarHBondContact O-N 3.02Å; F19-I22 PolarHBondContact O-N 3.48Å; F19-D23 HydrophobicContact CD1-CB 3.99Å; F19-D23 HydrophobicContact CE1-CB 3.76Å; F19-D23 WeakPolarHBondContact CE1-OD2 3.41Å; F19-D23 VanDerWaalsContact O-CB 3.29Å; F19-D23 WeakPolarHBondContact O-CB 3.49Å; F19-D23 PolarHBondContact O-N 3.03Å; F19-G28 WeakPolarHBondContact CZ-O 3.5Å; F19-L30 HydrophobicContact CD2-CD1 3.36Å; F19-L30 HydrophobicContact CD2-CG 3.97Å; F19-L30 HydrophobicContact CE1-CG 4.46Å; F19-L30 HydrophobicContact CE2-CB 4.45Å; F19-L30 HydrophobicContact CE2-CD1 3.27Å; F19-L30 HydrophobicContact CE2-CD2 4.43Å; F19-L30 HydrophobicContact CE2-CG 3.44Å; F19-L30 VanDerWaalsContact CE2-CG 3.44Å; F19-L30 HydrophobicContact CG-CD1 4.23Å; F19-L30 HydrophobicContact CZ-CD1 4.05Å; F19-L30 HydrophobicContact CZ-CD2 4.46Å; F19-L30 HydrophobicContact CZ-CG 3.71Å; F19-L67 HydrophobicContact CB-CD1 4.19Å; F19-L67 HydrophobicContact CD1-CD1 4.11Å; F19-L67 HydrophobicContact CD2-CB 4.14Å; F19-L67 HydrophobicContact CD2-CG 4.23Å; F19-L67 HydrophobicContact CE2-CB 4.1Å; F19-L67 HydrophobicContact CG-CB 4.39Å; F19-L67 HydrophobicContact CG-CD1 4.01Å; F19-L67 HydrophobicContact CG-CG 4.2Å; F19-L67 HydrophobicContact CZ-CB 4.33Å; F19-F70 HydrophobicContact CB-CD1 4.12Å; F19-F70 HydrophobicContact CB-CE1 3.93Å; F19-F70 HydrophobicContact CD2-CB 3.74Å; F19-F70 AromaticContact CD2-CD1 3.59Å; F19-F70 HydrophobicContact CD2-CD1 3.59Å; F19-F70 HydrophobicContact CD2-CD2 4.14Å; F19-F70 HydrophobicContact CD2-CE1 4.06Å; F19-F70 AromaticContact CD2-CG 3.58Å; F19-F70 HydrophobicContact CD2-CG 3.58Å; F19-F70 HydrophobicContact CD2-CZ 4.49Å; F19-F70 HydrophobicContact CE2-CB 3.88Å; F19-F70 HydrophobicContact CE2-CG 4.13Å; F19-F70 HydrophobicContact CG-CD1 4.35Å
20	K	80.8	Confident	76.3	Confident	123 Å²	123	77.3 Å²	77.3	54%	0.535	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-28.5	177.6	-77.5	-170.8	173.7	-160.6	0	114.2	S16 Q17 I22	S16-K20 PolarHBondContact O-N 3.21Å; S16-K20 VanDerWaalsContact O-N 3.1Å; Q17-K20 PolarHBondContact O-N 2.94Å; K20-I22 PolarHBondContact O-N 3.3Å
21	F	81.1	Confident	77.3	Confident	139 Å²	139	73.1 Å²	73.1	61%	0.61	37%	0.37	S	S	*	.	H	α-helix	trans	-68.4	-28.3	177.4	-172.3	-94.7	0	0	0	111.7	Q17 A18 F19	Q17-F21 WeakPolarHBondContact O-CB 2.98Å; Q17-F21 PolarHBondContact O-N 3.01Å; A18-F21 WeakPolarHBondContact O-CB 3.15Å; A18-F21 PolarHBondContact O-N 3.33Å; F19-F21 PolarHBondContact O-N 3.02Å
22	I	78.9	Confident	78.3	Confident	7 Å²	7	70.2 Å²	70.2	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-99.2	-42.2	-176.6	-62.6	-160.5	0	0	0	112	A18 F19 K20 K24 L30 D34 Y37 L38	A18-I22 WeakPolarHBondContact O-CG1 3.02Å; A18-I22 PolarHBondContact O-N 3.43Å; F19-I22 PolarHBondContact O-N 3.48Å; K20-I22 PolarHBondContact O-N 3.3Å; I22-K24 PolarHBondContact O-N 2.67Å; I22-L30 HydrophobicContact CB-CD2 4.07Å; I22-L30 HydrophobicContact CG2-CD2 3.68Å; I22-D34 HydrophobicContact CG2-CB 3.64Å; I22-D34 VanDerWaalsContact CG2-O 3.28Å; I22-D34 WeakPolarHBondContact CG2-O 3.42Å; I22-Y37 HydrophobicContact CD1-CD1 4.3Å; I22-L38 HydrophobicContact CD1-CB 3.16Å; I22-L38 HydrophobicContact CD1-CD1 3.2Å; I22-L38 HydrophobicContact CD1-CD2 4.18Å; I22-L38 HydrophobicContact CD1-CG 3.6Å; I22-L38 HydrophobicContact CG1-CD1 4.41Å
23	D	83.7	Confident	79.1	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.032	37%	0.366	C	S	.	.			trans	-66.1	73.5	172.9	-175.6	31.8	0	0	0	110.1	F19 D25 E26 D27 G28 L30	F19-D23 HydrophobicContact CD1-CB 3.99Å; F19-D23 HydrophobicContact CE1-CB 3.76Å; F19-D23 WeakPolarHBondContact CE1-OD2 3.41Å; F19-D23 VanDerWaalsContact O-CB 3.29Å; F19-D23 WeakPolarHBondContact O-CB 3.49Å; F19-D23 PolarHBondContact O-N 3.03Å; D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.99Å; D23-E26 PolarHBondContact O-N 3.31Å; D23-E26 VanDerWaalsContact O-N 3.15Å; D23-E26 PolarHBondContact OD1-N 2.65Å; D23-E26 VanDerWaalsContact OD2-CA 3.29Å; D23-E26 WeakPolarHBondContact OD2-CA 3.45Å; D23-D27 PolarHBondContact OD1-N 2.77Å; D23-G28 WeakPolarHBondContact OD2-CA 3.38Å; D23-G28 PolarHBondContact OD2-N 2.97Å; D23-L30 HydrophobicContact CB-CD2 3.78Å
24	K	77.2	Confident	79.8	Confident	170 Å²	170	67.5 Å²	67.5	74%	0.739	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-30	-173.8	-83.1	-170.1	-179.5	175.8	0	112.8	I22 E26	I22-K24 PolarHBondContact O-N 2.67Å; K24-E26 VanDerWaalsContact C-N 3.27Å
25	D	81.5	Confident	80.2	Confident	109 Å²	109	62.7 Å²	62.7	58%	0.583	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.6	175.4	60.2	-73.5	0	0	0	112.8	D23 D27	D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.99Å; D25-D27 PolarHBondContact O-N 3.21Å; D25-D27 VanDerWaalsContact O-N 3.16Å; D25-D27 WeakPolarHBondContact OD2-CB 3.24Å
26	E	80.3	Confident	80.6	Confident	148 Å²	148	63.4 Å²	63.4	69%	0.692	33%	0.331	S	S	*	.			trans	53.7	28.2	177.8	-63.8	-174.8	85.2	0	0	113.1	D23 K24 G28	D23-E26 PolarHBondContact O-N 3.31Å; D23-E26 VanDerWaalsContact O-N 3.15Å; D23-E26 PolarHBondContact OD1-N 2.65Å; D23-E26 VanDerWaalsContact OD2-CA 3.29Å; D23-E26 WeakPolarHBondContact OD2-CA 3.45Å; K24-E26 VanDerWaalsContact C-N 3.27Å; E26-G28 PolarHBondContact O-N 3.25Å
27	D	82.2	Confident	80.9	Confident	99 Å²	99	67.5 Å²	67.5	53%	0.529	34%	0.343	S	S	.	.	S	Bend	trans	-71	-21.3	176	177	-90	0	0	0	111.4	D23 D25 I29	D23-D27 PolarHBondContact OD1-N 2.77Å; D25-D27 PolarHBondContact O-N 3.21Å; D25-D27 VanDerWaalsContact O-N 3.16Å; D25-D27 WeakPolarHBondContact OD2-CB 3.24Å; D27-I29 HydrophobicContact CB-CG1 4.42Å; D27-I29 WeakPolarHBondContact OD1-CD1 3.35Å; D27-I29 WeakPolarHBondContact OD1-CG1 3.45Å; D27-I29 WeakPolarHBondContact OD1-CG2 3.04Å
28	G	80.3	Confident	80.8	Confident	30 Å²	30	62.2 Å²	62.2	31%	0.309	32%	0.318	S	S	.	.	S	Bend	trans	86.9	11.7	-177.5	0	0	0	0	0	113.4	F19 D23 E26	F19-G28 WeakPolarHBondContact CZ-O 3.5Å; D23-G28 WeakPolarHBondContact OD2-CA 3.38Å; D23-G28 PolarHBondContact OD2-N 2.97Å; E26-G28 PolarHBondContact O-N 3.25Å
29	I	84	Confident	80.8	Confident	53 Å²	53	60.8 Å²	60.8	27%	0.272	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.7	172.1	74.1	-169.3	0	0	0	110.1	D27 I65 R66	D27-I29 HydrophobicContact CB-CG1 4.42Å; D27-I29 WeakPolarHBondContact OD1-CD1 3.35Å; D27-I29 WeakPolarHBondContact OD1-CG1 3.45Å; D27-I29 WeakPolarHBondContact OD1-CG2 3.04Å; I29-I65 WeakPolarHBondContact CA-O 3.41Å; I29-R66 HydrophobicContact CG2-CG 3.95Å
30	L	82.7	Confident	80.7	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125	172.9	-63.7	169.7	0	0	0	109	F19 I22 D23 D34 I35 S64 I65 F70	F19-L30 HydrophobicContact CD2-CD1 3.36Å; F19-L30 HydrophobicContact CD2-CG 3.97Å; F19-L30 HydrophobicContact CE1-CG 4.46Å; F19-L30 HydrophobicContact CE2-CB 4.45Å; F19-L30 HydrophobicContact CE2-CD1 3.27Å; F19-L30 HydrophobicContact CE2-CD2 4.43Å; F19-L30 HydrophobicContact CE2-CG 3.44Å; F19-L30 VanDerWaalsContact CE2-CG 3.44Å; F19-L30 HydrophobicContact CG-CD1 4.23Å; F19-L30 HydrophobicContact CZ-CD1 4.05Å; F19-L30 HydrophobicContact CZ-CD2 4.46Å; F19-L30 HydrophobicContact CZ-CG 3.71Å; I22-L30 HydrophobicContact CB-CD2 4.07Å; I22-L30 HydrophobicContact CG2-CD2 3.68Å; D23-L30 HydrophobicContact CB-CD2 3.78Å; L30-D34 HydrophobicContact CB-CB 4.02Å; L30-D34 HydrophobicContact CD2-CB 3.72Å; L30-D34 HydrophobicContact CG-CB 4.45Å; L30-I35 HydrophobicContact CB-CD1 4.2Å; L30-I35 HydrophobicContact CB-CG1 4.07Å; L30-S64 CarbonylContact O-C 3.59Å; L30-S64 WeakPolarHBondContact O-CA 3.35Å; L30-I65 HydrophobicContact CB-CG1 4.19Å; L30-I65 PolarHBondContact N-O 2.81Å; L30-I65 PolarHBondContact O-N 3.09Å; L30-F70 HydrophobicContact CD1-CB 4.45Å; L30-F70 HydrophobicContact CD1-CD2 3.25Å; L30-F70 HydrophobicContact CD1-CE2 3.31Å; L30-F70 HydrophobicContact CD1-CG 3.93Å; L30-F70 HydrophobicContact CD1-CZ 4.07Å
31	G	82.6	Confident	80.3	Confident	18 Å²	18	62.9 Å²	62.9	19%	0.186	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	178.7	172.1	0	0	0	0	0	112.4	D33 D34 I35	G31-D33 PolarHBondContact O-N 3.04Å; G31-D34 PolarHBondContact N-OD2 3.27Å; G31-D34 PolarHBondContact O-N 3.25Å; G31-I35 VanDerWaalsContact O-CD1 3.27Å; G31-I35 WeakPolarHBondContact O-CD1 3.45Å; G31-I35 WeakPolarHBondContact O-CG1 3.24Å; G31-I35 PolarHBondContact O-N 3.15Å; G31-I35 VanDerWaalsContact O-N 3.13Å
32	V	83.5	Confident	79.7	Confident	36 Å²	36	60.6 Å²	60.6	22%	0.218	32%	0.324	C	S	.	.	H	α-helix	trans	-55.4	-39.9	174.5	177.1	0	0	0	0	112	I35 S36 E48 I51 V55	V32-I35 PolarHBondContact O-N 2.96Å; V32-S36 VanDerWaalsContact O-CB 3.31Å; V32-S36 WeakPolarHBondContact O-CB 3.45Å; V32-S36 PolarHBondContact O-N 2.93Å; V32-E48 HydrophobicContact CG1-CG 4.42Å; V32-I51 HydrophobicContact CG1-CB 4.5Å; V32-I51 HydrophobicContact CG1-CG2 4.01Å; V32-V55 HydrophobicContact CG2-CB 4.07Å; V32-V55 HydrophobicContact CG2-CG1 4.13Å; V32-V55 HydrophobicContact CG2-CG2 4Å
33	D	82.7	Confident	79.1	Confident	133 Å²	133	63 Å²	63	71%	0.711	35%	0.35	S	S	*	.	H	α-helix	trans	-66.9	-44.1	-178.1	-143.7	-89.8	0	0	0	111.6	G31 I35 S36 Y37	G31-D33 PolarHBondContact O-N 3.04Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.82Å; D33-S36 WeakPolarHBondContact O-CB 3.44Å; D33-S36 PolarHBondContact O-N 3.45Å; D33-Y37 PolarHBondContact O-N 2.8Å
34	D	84.9	Confident	78.3	Confident	41 Å²	41	63.9 Å²	63.9	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-42.8	176.1	-69.6	-61.5	0	0	0	112.3	I22 L30 G31 Y37 L38	I22-D34 HydrophobicContact CG2-CB 3.64Å; I22-D34 VanDerWaalsContact CG2-O 3.28Å; I22-D34 WeakPolarHBondContact CG2-O 3.42Å; L30-D34 HydrophobicContact CB-CB 4.02Å; L30-D34 HydrophobicContact CD2-CB 3.72Å; L30-D34 HydrophobicContact CG-CB 4.45Å; G31-D34 PolarHBondContact N-OD2 3.27Å; G31-D34 PolarHBondContact O-N 3.25Å; D34-Y37 WeakPolarHBondContact O-CB 3.14Å; D34-Y37 PolarHBondContact O-N 2.81Å; D34-L38 PolarHBondContact O-N 3.38Å
35	I	79.6	Confident	77.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-71.9	-35.6	178.7	-65.4	152.6	0	0	0	110.7	L30 G31 V32 D33 Y37 L38 L39 I51 V55 I65 L73	L30-I35 HydrophobicContact CB-CD1 4.2Å; L30-I35 HydrophobicContact CB-CG1 4.07Å; G31-I35 VanDerWaalsContact O-CD1 3.27Å; G31-I35 WeakPolarHBondContact O-CD1 3.45Å; G31-I35 WeakPolarHBondContact O-CG1 3.24Å; G31-I35 PolarHBondContact O-N 3.15Å; G31-I35 VanDerWaalsContact O-N 3.13Å; V32-I35 PolarHBondContact O-N 2.96Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.82Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 2.88Å; I35-L38 WeakPolarHBondContact O-CB 3.18Å; I35-L38 PolarHBondContact O-N 3.46Å; I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.19Å; I35-L39 WeakPolarHBondContact O-CB 3.34Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.44Å; I35-L39 PolarHBondContact O-N 3.48Å; I35-I51 HydrophobicContact CB-CG2 4Å; I35-I51 HydrophobicContact CG2-CG2 3.69Å; I35-V55 HydrophobicContact CB-CG2 4.38Å; I35-V55 HydrophobicContact CD1-CB 4.35Å; I35-V55 HydrophobicContact CD1-CG1 4.13Å; I35-V55 HydrophobicContact CD1-CG2 3.33Å; I35-V55 HydrophobicContact CG1-CG2 4.46Å; I35-V55 HydrophobicContact CG2-CG2 4.42Å; I35-I65 HydrophobicContact CD1-CD1 3.23Å; I35-I65 HydrophobicContact CD1-CG1 3.38Å; I35-I65 HydrophobicContact CG1-CD1 3.96Å; I35-I65 HydrophobicContact CG1-CG1 4.37Å; I35-L73 HydrophobicContact CD1-CD1 4.24Å; I35-L73 HydrophobicContact CG2-CD1 3.94Å; I35-L73 HydrophobicContact CG2-CD2 3.83Å
36	S	80.4	Confident	76.6	Confident	32 Å²	32	56.5 Å²	56.5	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-45.5	171.6	-171.5	0	0	0	0	111.3	V32 D33 L38 L39 T40	V32-S36 VanDerWaalsContact O-CB 3.31Å; V32-S36 WeakPolarHBondContact O-CB 3.45Å; V32-S36 PolarHBondContact O-N 2.93Å; D33-S36 WeakPolarHBondContact O-CB 3.44Å; D33-S36 PolarHBondContact O-N 3.45Å; S36-L38 PolarHBondContact O-N 3.36Å; S36-L39 PolarHBondContact O-N 3.49Å; S36-T40 VanDerWaalsContact O-CB 3.27Å; S36-T40 WeakPolarHBondContact O-CB 3.44Å; S36-T40 PolarHBondContact O-N 3.31Å; S36-T40 PolarHBondContact O-OG1 2.96Å
37	Y	80.1	Confident	76.1	Confident	117 Å²	117	55.6 Å²	55.6	46%	0.459	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-42.1	174.5	-175.8	-101.8	0	0	0	111.8	I22 D33 D34 I35 T41	I22-Y37 HydrophobicContact CD1-CD1 4.3Å; D33-Y37 PolarHBondContact O-N 2.8Å; D34-Y37 WeakPolarHBondContact O-CB 3.14Å; D34-Y37 PolarHBondContact O-N 2.81Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 2.88Å; Y37-T41 VanDerWaalsContact O-CB 3.25Å; Y37-T41 WeakPolarHBondContact O-CB 3.46Å; Y37-T41 PolarHBondContact O-N 3.38Å; Y37-T41 PolarHBondContact O-OG1 2.75Å
38	L	77.4	Confident	75.8	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-54.3	176.1	-179.1	57.6	0	0	0	112.5	I22 D34 I35 S36 T40 T41 L42 F70 L74	I22-L38 HydrophobicContact CD1-CB 3.16Å; I22-L38 HydrophobicContact CD1-CD1 3.2Å; I22-L38 HydrophobicContact CD1-CD2 4.18Å; I22-L38 HydrophobicContact CD1-CG 3.6Å; I22-L38 HydrophobicContact CG1-CD1 4.41Å; D34-L38 PolarHBondContact O-N 3.38Å; I35-L38 WeakPolarHBondContact O-CB 3.18Å; I35-L38 PolarHBondContact O-N 3.46Å; S36-L38 PolarHBondContact O-N 3.36Å; L38-T40 VanDerWaalsContact C-N 3.27Å; L38-T40 PolarHBondContact O-N 3.06Å; L38-T41 CarbonylContact O-C 3.55Å; L38-T41 WeakPolarHBondContact O-CA 3.44Å; L38-T41 WeakPolarHBondContact O-CB 3.1Å; L38-T41 PolarHBondContact O-N 2.97Å; L38-L42 HydrophobicContact CD1-CD1 3.73Å; L38-L42 HydrophobicContact CD1-CG 4.06Å; L38-L42 HydrophobicContact CD2-CD1 4.42Å; L38-L42 HydrophobicContact CG-CD1 3.78Å; L38-L42 HydrophobicContact CG-CG 4.46Å; L38-L42 PolarHBondContact O-N 3.49Å; L38-F70 HydrophobicContact CD2-CD2 4.37Å; L38-F70 HydrophobicContact CD2-CE2 3.14Å; L38-F70 HydrophobicContact CD2-CZ 3.29Å; L38-L74 HydrophobicContact CD2-CD1 4.16Å; L38-L74 HydrophobicContact CD2-CD2 4.13Å; L38-L74 HydrophobicContact CD2-CG 4.18Å
39	L	74.8	Confident	75.6	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-42	-175.2	-70.2	169.2	0	0	0	109.3	I35 S36 T41 L42 G43 I44 C46 I51 A77	I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.19Å; I35-L39 WeakPolarHBondContact O-CB 3.34Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.44Å; I35-L39 PolarHBondContact O-N 3.48Å; S36-L39 PolarHBondContact O-N 3.49Å; L39-T41 VanDerWaalsContact C-N 3.35Å; L39-T41 PolarHBondContact O-N 3.03Å; L39-L42 CarbonylContact O-C 3.59Å; L39-L42 PolarHBondContact O-N 3.05Å; L39-G43 PolarHBondContact O-N 2.86Å; L39-G43 VanDerWaalsContact O-N 3.11Å; L39-I44 CarbonylContact C-O 3.26Å; L39-I44 VanDerWaalsContact C-O 3.26Å; L39-I44 HydrophobicContact CB-CB 4.2Å; L39-I44 HydrophobicContact CD2-CB 4.1Å; L39-I44 HydrophobicContact CD2-CD1 3.81Å; L39-I44 HydrophobicContact CD2-CG1 4.47Å; L39-I44 HydrophobicContact CD2-CG2 4.21Å; L39-I44 CarbonylContact O-C 3.54Å; L39-I44 WeakPolarHBondContact O-CA 3.3Å; L39-I44 WeakPolarHBondContact O-CB 3.46Å; L39-I44 PolarHBondContact O-N 2.97Å; L39-I44 VanDerWaalsContact O-O 3.11Å; L39-C46 HydrophobicContact CD1-CB 3.97Å; L39-I51 HydrophobicContact CD1-CD1 4.16Å; L39-I51 HydrophobicContact CD1-CG1 3.69Å; L39-I51 HydrophobicContact CD1-CG2 4.47Å; L39-A77 HydrophobicContact CD2-CB 3.95Å
40	T	76	Confident	75.3	Confident	93 Å²	93	62.4 Å²	62.4	57%	0.571	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-44	171.6	-60	0	0	0	0	112	S36 L38 L42 G43	S36-T40 VanDerWaalsContact O-CB 3.27Å; S36-T40 WeakPolarHBondContact O-CB 3.44Å; S36-T40 PolarHBondContact O-N 3.31Å; S36-T40 PolarHBondContact O-OG1 2.96Å; L38-T40 VanDerWaalsContact C-N 3.27Å; L38-T40 PolarHBondContact O-N 3.06Å; T40-L42 VanDerWaalsContact C-N 3.32Å; T40-L42 PolarHBondContact O-N 3.34Å; T40-G43 WeakPolarHBondContact O-CA 3.31Å; T40-G43 PolarHBondContact O-N 2.8Å
41	T	72.5	Confident	75	Confident	80 Å²	80	62.5 Å²	62.5	49%	0.491	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-35.1	179	-61.6	0	0	0	0	112.1	Y37 L38 L39 G43	Y37-T41 VanDerWaalsContact O-CB 3.25Å; Y37-T41 WeakPolarHBondContact O-CB 3.46Å; Y37-T41 PolarHBondContact O-N 3.38Å; Y37-T41 PolarHBondContact O-OG1 2.75Å; L38-T41 CarbonylContact O-C 3.55Å; L38-T41 WeakPolarHBondContact O-CA 3.44Å; L38-T41 WeakPolarHBondContact O-CB 3.1Å; L38-T41 PolarHBondContact O-N 2.97Å; L39-T41 VanDerWaalsContact C-N 3.35Å; L39-T41 PolarHBondContact O-N 3.03Å; T41-G43 PolarHBondContact O-N 3.13Å
42	L	67.5	Low	74.9	Confident	90 Å²	90	63.4 Å²	63.4	47%	0.471	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.3	172.5	-73.9	166.7	0	0	0	112.9	L38 L39 T40 I44 L74	L38-L42 HydrophobicContact CD1-CD1 3.73Å; L38-L42 HydrophobicContact CD1-CG 4.06Å; L38-L42 HydrophobicContact CD2-CD1 4.42Å; L38-L42 HydrophobicContact CG-CD1 3.78Å; L38-L42 HydrophobicContact CG-CG 4.46Å; L38-L42 PolarHBondContact O-N 3.49Å; L39-L42 CarbonylContact O-C 3.59Å; L39-L42 PolarHBondContact O-N 3.05Å; T40-L42 VanDerWaalsContact C-N 3.32Å; T40-L42 PolarHBondContact O-N 3.34Å; L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 HydrophobicContact CB-CD1 3.89Å; L42-I44 HydrophobicContact CB-CG1 3.76Å; L42-I44 HydrophobicContact CD1-CD1 4.08Å; L42-L74 HydrophobicContact CD1-CD2 3.66Å
43	G	67.3	Low	74.7	Confident	58 Å²	58	65.3 Å²	65.3	60%	0.598	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	12.9	-176.1	0	0	0	0	0	114	L39 T40 T41 G45	L39-G43 PolarHBondContact O-N 2.86Å; L39-G43 VanDerWaalsContact O-N 3.11Å; T40-G43 WeakPolarHBondContact O-CA 3.31Å; T40-G43 PolarHBondContact O-N 2.8Å; T41-G43 PolarHBondContact O-N 3.13Å; G43-G45 PolarHBondContact O-N 2.9Å
44	I	65.9	Low	74.3	Confident	25 Å²	25	61.3 Å²	61.3	13%	0.128	37%	0.37	C	S	.	.			trans	-86.1	100.8	176.4	-45.1	-179.8	0	0	0	107.4	L39 L42 C46 L81	L39-I44 CarbonylContact C-O 3.26Å; L39-I44 VanDerWaalsContact C-O 3.26Å; L39-I44 HydrophobicContact CB-CB 4.2Å; L39-I44 HydrophobicContact CD2-CB 4.1Å; L39-I44 HydrophobicContact CD2-CD1 3.81Å; L39-I44 HydrophobicContact CD2-CG1 4.47Å; L39-I44 HydrophobicContact CD2-CG2 4.21Å; L39-I44 CarbonylContact O-C 3.54Å; L39-I44 WeakPolarHBondContact O-CA 3.3Å; L39-I44 WeakPolarHBondContact O-CB 3.46Å; L39-I44 PolarHBondContact O-N 2.97Å; L39-I44 VanDerWaalsContact O-O 3.11Å; L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 HydrophobicContact CB-CD1 3.89Å; L42-I44 HydrophobicContact CB-CG1 3.76Å; L42-I44 HydrophobicContact CD1-CD1 4.08Å; I44-C46 VanDerWaalsContact C-N 3.32Å; I44-C46 PolarHBondContact O-N 3.28Å; I44-L81 HydrophobicContact CB-CD1 4.37Å; I44-L81 HydrophobicContact CD1-CD1 3.36Å; I44-L81 HydrophobicContact CG1-CD1 3.62Å; I44-L81 HydrophobicContact CG2-CD1 3.89Å
45	G	59.7	Low	74.1	Confident	84 Å²	84	59.4 Å²	59.4	87%	0.866	36%	0.359	S	S	*	.			trans	-73	84.2	175.4	0	0	0	0	0	111.1	G43	G43-G45 PolarHBondContact O-N 2.9Å
46	C	64.3	Low	74.2	Confident	39 Å²	39	67.8 Å²	67.8	26%	0.264	39%	0.391	S	S	.	.			trans	-98.8	136.9	169.6	-71.5	0	0	0	0	110.1	L39 I44 I51	L39-C46 HydrophobicContact CD1-CB 3.97Å; I44-C46 VanDerWaalsContact C-N 3.32Å; I44-C46 PolarHBondContact O-N 3.28Å; C46-I51 HydrophobicContact CB-CD1 3.99Å; C46-I51 HydrophobicContact CB-CG1 3.64Å
47	N	69.5	Low	74.1	Confident	129 Å²	129	73 Å²	73	69%	0.69	41%	0.412	S	S	*	.			trans	-73.6	151.3	170.3	-85.3	-21	0	0	0	110.3	D49 S50 I51	N47-D49 PolarHBondContact O-N 3.09Å; N47-D49 VanDerWaalsContact O-N 3.14Å; N47-S50 WeakPolarHBondContact O-CA 2.8Å; N47-S50 WeakPolarHBondContact O-CB 3.32Å; N47-S50 PolarHBondContact O-N 3.31Å; N47-I51 WeakPolarHBondContact O-CG1 3.5Å; N47-I51 PolarHBondContact O-N 3.3Å
48	E	75.9	Confident	74	Confident	139 Å²	139	67.8 Å²	67.8	65%	0.65	39%	0.392	S	S	*	.	H	α-helix	trans	-52.6	-36.8	179	-163.8	177.4	96.2	0	0	112.5	V32 I51 S52	V32-E48 HydrophobicContact CG1-CG 4.42Å; E48-I51 PolarHBondContact O-N 3.2Å; E48-S52 VanDerWaalsContact O-CB 3.31Å; E48-S52 WeakPolarHBondContact O-CB 3.27Å; E48-S52 PolarHBondContact O-N 3.17Å; E48-S52 PolarHBondContact O-OG 3.12Å
49	D	77.3	Confident	74.2	Confident	128 Å²	128	68.5 Å²	68.5	68%	0.684	40%	0.397	S	S	*	.	H	α-helix	trans	-60.1	-43.2	172.4	-103.4	-89.1	0	0	0	113.5	N47 S52 T53	N47-D49 PolarHBondContact O-N 3.09Å; N47-D49 VanDerWaalsContact O-N 3.14Å; D49-S52 VanDerWaalsContact CA-OG 3.29Å; D49-S52 WeakPolarHBondContact CA-OG 3.14Å; D49-S52 PolarHBondContact O-OG 2.83Å; D49-T53 VanDerWaalsContact O-CB 3.32Å; D49-T53 WeakPolarHBondContact O-CB 3.28Å; D49-T53 PolarHBondContact O-N 3.32Å; D49-T53 PolarHBondContact O-OG1 2.77Å
50	S	76.2	Confident	74	Confident	59 Å²	59	75.3 Å²	75.3	41%	0.413	43%	0.434	S	S	.	.	H	α-helix	trans	-68.5	-42.7	177.1	-58.8	0	0	0	0	110.1	N47 T53 I54	N47-S50 WeakPolarHBondContact O-CA 2.8Å; N47-S50 WeakPolarHBondContact O-CB 3.32Å; N47-S50 PolarHBondContact O-N 3.31Å; S50-T53 PolarHBondContact O-N 2.97Å; S50-I54 VanDerWaalsContact O-CD1 3.32Å; S50-I54 WeakPolarHBondContact O-CD1 3.36Å; S50-I54 WeakPolarHBondContact O-CG1 3.02Å; S50-I54 PolarHBondContact O-N 2.81Å
51	I	76.7	Confident	73.5	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.005	44%	0.436	C	S	.	.	H	α-helix	trans	-61.9	-57.2	179.3	-59.5	164.2	0	0	0	109.1	V32 I35 L39 C46 N47 E48 T53 I54 V55	V32-I51 HydrophobicContact CG1-CB 4.5Å; V32-I51 HydrophobicContact CG1-CG2 4.01Å; I35-I51 HydrophobicContact CB-CG2 4Å; I35-I51 HydrophobicContact CG2-CG2 3.69Å; L39-I51 HydrophobicContact CD1-CD1 4.16Å; L39-I51 HydrophobicContact CD1-CG1 3.69Å; L39-I51 HydrophobicContact CD1-CG2 4.47Å; C46-I51 HydrophobicContact CB-CD1 3.99Å; C46-I51 HydrophobicContact CB-CG1 3.64Å; N47-I51 WeakPolarHBondContact O-CG1 3.5Å; N47-I51 PolarHBondContact O-N 3.3Å; E48-I51 PolarHBondContact O-N 3.2Å; I51-T53 PolarHBondContact O-N 2.79Å; I51-I54 CarbonylContact O-C 3.56Å; I51-I54 WeakPolarHBondContact O-CA 3.19Å; I51-I54 PolarHBondContact O-N 3.18Å; I51-V55 HydrophobicContact CG2-CG2 3.87Å; I51-V55 VanDerWaalsContact O-CG2 3.22Å; I51-V55 WeakPolarHBondContact O-CG2 3.21Å; I51-V55 PolarHBondContact O-N 3.02Å
52	S	80.2	Confident	73.2	Confident	38 Å²	38	79.8 Å²	79.8	27%	0.266	45%	0.452	S	S	.	.	H	α-helix	trans	-54.1	-37.9	177.4	50.9	0	0	0	0	112.6	E48 D49 R56	E48-S52 VanDerWaalsContact O-CB 3.31Å; E48-S52 WeakPolarHBondContact O-CB 3.27Å; E48-S52 PolarHBondContact O-N 3.17Å; E48-S52 PolarHBondContact O-OG 3.12Å; D49-S52 VanDerWaalsContact CA-OG 3.29Å; D49-S52 WeakPolarHBondContact CA-OG 3.14Å; D49-S52 PolarHBondContact O-OG 2.83Å; S52-R56 WeakPolarHBondContact O-CB 2.92Å; S52-R56 PolarHBondContact O-N 3.38Å
53	T	80.5	Confident	73.5	Confident	75 Å²	75	79.1 Å²	79.1	46%	0.46	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-45.5	172.7	-60.8	0	0	0	0	112.4	D49 S50 I51 H57	D49-T53 VanDerWaalsContact O-CB 3.32Å; D49-T53 WeakPolarHBondContact O-CB 3.28Å; D49-T53 PolarHBondContact O-N 3.32Å; D49-T53 PolarHBondContact O-OG1 2.77Å; S50-T53 PolarHBondContact O-N 2.97Å; I51-T53 PolarHBondContact O-N 2.79Å; T53-H57 WeakPolarHBondContact O-CB 3.33Å; T53-H57 PolarHBondContact O-N 3.15Å; T53-H57 PolarHBondContact O-ND1 3.01Å
54	I	74.6	Confident	74.1	Confident	50 Å²	50	77.9 Å²	77.9	26%	0.256	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-47.6	179.2	-59.3	156.7	0	0	0	110.1	S50 I51 R56 H57 L58 L73	S50-I54 VanDerWaalsContact O-CD1 3.32Å; S50-I54 WeakPolarHBondContact O-CD1 3.36Å; S50-I54 WeakPolarHBondContact O-CG1 3.02Å; S50-I54 PolarHBondContact O-N 2.81Å; I51-I54 CarbonylContact O-C 3.56Å; I51-I54 WeakPolarHBondContact O-CA 3.19Å; I51-I54 PolarHBondContact O-N 3.18Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 2.62Å; I54-H57 PolarHBondContact O-N 3.16Å; I54-H57 VanDerWaalsContact O-N 3.16Å; I54-L58 HydrophobicContact CG2-CD1 3.81Å; I54-L58 WeakPolarHBondContact O-CB 3.07Å; I54-L58 WeakPolarHBondContact O-CG 3.43Å; I54-L58 PolarHBondContact O-N 3.49Å; I54-L73 HydrophobicContact CB-CD1 4.29Å; I54-L73 HydrophobicContact CG2-CD1 3.42Å; I54-L73 VanDerWaalsContact CG2-CD1 3.42Å; I54-L73 HydrophobicContact CG2-CG 3.85Å
55	V	79.4	Confident	75	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-57.8	-47.9	177.1	-175.3	0	0	0	0	109.7	V32 I35 I51 H57 L58 S59 D63 I65	V32-V55 HydrophobicContact CG2-CB 4.07Å; V32-V55 HydrophobicContact CG2-CG1 4.13Å; V32-V55 HydrophobicContact CG2-CG2 4Å; I35-V55 HydrophobicContact CB-CG2 4.38Å; I35-V55 HydrophobicContact CD1-CB 4.35Å; I35-V55 HydrophobicContact CD1-CG1 4.13Å; I35-V55 HydrophobicContact CD1-CG2 3.33Å; I35-V55 HydrophobicContact CG1-CG2 4.46Å; I35-V55 HydrophobicContact CG2-CG2 4.42Å; I51-V55 HydrophobicContact CG2-CG2 3.87Å; I51-V55 VanDerWaalsContact O-CG2 3.22Å; I51-V55 WeakPolarHBondContact O-CG2 3.21Å; I51-V55 PolarHBondContact O-N 3.02Å; V55-H57 VanDerWaalsContact C-N 3.29Å; V55-H57 PolarHBondContact O-N 2.75Å; V55-L58 CarbonylContact O-C 3.46Å; V55-L58 PolarHBondContact O-N 3.38Å; V55-L58 VanDerWaalsContact O-N 3.12Å; V55-S59 WeakPolarHBondContact O-CA 3.26Å; V55-S59 WeakPolarHBondContact O-CB 3.41Å; V55-S59 PolarHBondContact O-N 3.02Å; V55-S59 PolarHBondContact O-OG 2.73Å; V55-S59 VanDerWaalsContact O-OG 3.13Å; V55-D63 WeakPolarHBondContact CG1-O 3.25Å; V55-I65 HydrophobicContact CG1-CG2 4.29Å
56	R	81.8	Confident	76.2	Confident	177 Å²	177	80.5 Å²	80.5	67%	0.668	41%	0.414	S	S	*	.	H	α-helix	trans	-67.2	-27.1	179.5	-175.5	176.8	152.3	107	0.4	113.9	S52 I54 S59	S52-R56 WeakPolarHBondContact O-CB 2.92Å; S52-R56 PolarHBondContact O-N 3.38Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 2.62Å; R56-S59 WeakPolarHBondContact CA-OG 3.39Å
57	H	79.5	Confident	76.8	Confident	142 Å²	142	80.3 Å²	80.3	66%	0.657	41%	0.41	S	S	*	.	H	α-helix	trans	-75.1	-29.8	172.5	-93.8	40.5	0	0	0	112.8	T53 I54 V55	T53-H57 WeakPolarHBondContact O-CB 3.33Å; T53-H57 PolarHBondContact O-N 3.15Å; T53-H57 PolarHBondContact O-ND1 3.01Å; I54-H57 PolarHBondContact O-N 3.16Å; I54-H57 VanDerWaalsContact O-N 3.16Å; V55-H57 VanDerWaalsContact C-N 3.29Å; V55-H57 PolarHBondContact O-N 2.75Å
58	L	77.4	Confident	77.2	Confident	7 Å²	7	78.1 Å²	78.1	4%	0.037	40%	0.403	C	S	.	.	H	α-helix	trans	-101.8	-14.4	-177.1	-65.8	174.9	0	0	0	112.5	I54 V55 I65 N69 E72 L73	I54-L58 HydrophobicContact CG2-CD1 3.81Å; I54-L58 WeakPolarHBondContact O-CB 3.07Å; I54-L58 WeakPolarHBondContact O-CG 3.43Å; I54-L58 PolarHBondContact O-N 3.49Å; V55-L58 CarbonylContact O-C 3.46Å; V55-L58 PolarHBondContact O-N 3.38Å; V55-L58 VanDerWaalsContact O-N 3.12Å; L58-I65 HydrophobicContact CB-CG2 3.76Å; L58-N69 PolarHBondContact O-ND2 3.21Å; L58-E72 HydrophobicContact CD2-CB 4.36Å; L58-E72 HydrophobicContact CD2-CG 4.1Å; L58-E72 WeakPolarHBondContact CD2-OE1 3.1Å; L58-L73 HydrophobicContact CD1-CB 3.42Å; L58-L73 VanDerWaalsContact CD1-CB 3.42Å; L58-L73 HydrophobicContact CD1-CD1 3.98Å; L58-L73 HydrophobicContact CD1-CG 3.97Å
59	S	80.8	Confident	77.4	Confident	24 Å²	24	73.5 Å²	73.5	17%	0.168	38%	0.382	C	S	.	.			trans	-79	133.4	179.6	64.7	0	0	0	0	110	V55 R56 S64	V55-S59 WeakPolarHBondContact O-CA 3.26Å; V55-S59 WeakPolarHBondContact O-CB 3.41Å; V55-S59 PolarHBondContact O-N 3.02Å; V55-S59 PolarHBondContact O-OG 2.73Å; V55-S59 VanDerWaalsContact O-OG 3.13Å; R56-S59 WeakPolarHBondContact CA-OG 3.39Å; S59-S64 WeakPolarHBondContact CB-O 3.34Å
60	D	72.1	Confident	77.3	Confident	144 Å²	144	67.4 Å²	67.4	77%	0.77	35%	0.35	S	S	*	.	S	Bend	trans	-82.9	-27.2	175.7	-154	-98.8	0	0	0	110.6
61	S	63.8	Low	77.2	Confident	89 Å²	89	66.7 Å²	66.7	62%	0.622	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-160.3	135	177.6	-64.7	0	0	0	0	111.2
62	E	66.3	Low	77.1	Confident	177 Å²	177	72.1 Å²	72.1	83%	0.827	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	63.7	174.4	-70.6	-160.4	93.5	0	0	116.3	S64	E62-S64 WeakPolarHBondContact O-CB 3.39Å; E62-S64 PolarHBondContact O-N 3.22Å; E62-S64 PolarHBondContact O-OG 2.72Å
63	D	74.7	Confident	76.8	Confident	76 Å²	76	70.4 Å²	70.4	41%	0.406	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	29.3	164.4	-60.1	-72.6	0	0	0	115.5	V55	V55-D63 WeakPolarHBondContact CG1-O 3.25Å
64	S	80.5	Confident	76.3	Confident	32 Å²	32	67.2 Å²	67.2	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.3	-176	-49.1	0	0	0	0	108.9	L30 S59 E62	L30-S64 CarbonylContact O-C 3.59Å; L30-S64 WeakPolarHBondContact O-CA 3.35Å; S59-S64 WeakPolarHBondContact CB-O 3.34Å; E62-S64 WeakPolarHBondContact O-CB 3.39Å; E62-S64 PolarHBondContact O-N 3.22Å; E62-S64 PolarHBondContact O-OG 2.72Å
65	I	83.6	Confident	75.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.7	178.2	48.7	168.9	0	0	0	111.5	I29 L30 I35 V55 L58 N69 F70 L73	I29-I65 WeakPolarHBondContact CA-O 3.41Å; L30-I65 HydrophobicContact CB-CG1 4.19Å; L30-I65 PolarHBondContact N-O 2.81Å; L30-I65 PolarHBondContact O-N 3.09Å; I35-I65 HydrophobicContact CD1-CD1 3.23Å; I35-I65 HydrophobicContact CD1-CG1 3.38Å; I35-I65 HydrophobicContact CG1-CD1 3.96Å; I35-I65 HydrophobicContact CG1-CG1 4.37Å; V55-I65 HydrophobicContact CG1-CG2 4.29Å; L58-I65 HydrophobicContact CB-CG2 3.76Å; I65-N69 HydrophobicContact CB-CB 3.87Å; I65-N69 HydrophobicContact CG2-CB 3.9Å; I65-F70 HydrophobicContact CD1-CB 4.36Å; I65-F70 HydrophobicContact CD1-CD2 4.26Å; I65-L73 HydrophobicContact CD1-CB 3.95Å; I65-L73 HydrophobicContact CD1-CD1 3.56Å; I65-L73 HydrophobicContact CD1-CG 4.21Å
66	R	84.2	Confident	75.1	Confident	165 Å²	165	72.2 Å²	72.2	62%	0.623	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	165.7	173.3	-64.5	172.5	-168.2	-125	0.6	110.2	I29 P68 N69 F70	I29-R66 HydrophobicContact CG2-CG 3.95Å; R66-P68 VanDerWaalsContact C-CD 3.45Å; R66-P68 HydrophobicContact CB-CG 4.26Å; R66-P68 VanDerWaalsContact O-N 3.15Å; R66-N69 CarbonylContact O-C 3.57Å; R66-N69 WeakPolarHBondContact O-CA 3.26Å; R66-N69 WeakPolarHBondContact O-CB 3.42Å; R66-N69 PolarHBondContact O-N 3.5Å; R66-F70 PolarHBondContact O-N 3.46Å
67	L	78.5	Confident	74	Confident	34 Å²	34	64.2 Å²	64.2	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-42.7	-46.5	176.5	-164.2	147.8	0	0	0	115.6	Y12 F19 N69 F70 I71	Y12-L67 HydrophobicContact CE2-CD2 4.24Å; Y12-L67 WeakPolarHBondContact OH-CD2 3.16Å; F19-L67 HydrophobicContact CB-CD1 4.19Å; F19-L67 HydrophobicContact CD1-CD1 4.11Å; F19-L67 HydrophobicContact CD2-CB 4.14Å; F19-L67 HydrophobicContact CD2-CG 4.23Å; F19-L67 HydrophobicContact CE2-CB 4.1Å; F19-L67 HydrophobicContact CG-CB 4.39Å; F19-L67 HydrophobicContact CG-CD1 4.01Å; F19-L67 HydrophobicContact CG-CG 4.2Å; F19-L67 HydrophobicContact CZ-CB 4.33Å; L67-N69 PolarHBondContact O-N 3.2Å; L67-F70 WeakPolarHBondContact O-CB 3.17Å; L67-F70 PolarHBondContact O-N 2.83Å; L67-I71 HydrophobicContact CD2-CD1 3.81Å; L67-I71 HydrophobicContact CD2-CG1 4.4Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 2.66Å
68	P	77.6	Confident	72.8	Confident	83 Å²	83	61.8 Å²	61.8	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-41.6	176.6	21.2	-32	0	0	0	113.1	R66 F70 I71 E72	R66-P68 VanDerWaalsContact C-CD 3.45Å; R66-P68 HydrophobicContact CB-CG 4.26Å; R66-P68 VanDerWaalsContact O-N 3.15Å; P68-F70 VanDerWaalsContact C-N 3.3Å; P68-I71 PolarHBondContact O-N 2.81Å; P68-E72 PolarHBondContact O-N 3.19Å
69	N	79.5	Confident	71.5	Confident	42 Å²	42	68.7 Å²	68.7	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-71.5	-29.3	177.1	-58.3	69.8	0	0	0	111.2	L58 I65 R66 L67 E72 L73	L58-N69 PolarHBondContact O-ND2 3.21Å; I65-N69 HydrophobicContact CB-CB 3.87Å; I65-N69 HydrophobicContact CG2-CB 3.9Å; R66-N69 CarbonylContact O-C 3.57Å; R66-N69 WeakPolarHBondContact O-CA 3.26Å; R66-N69 WeakPolarHBondContact O-CB 3.42Å; R66-N69 PolarHBondContact O-N 3.5Å; L67-N69 PolarHBondContact O-N 3.2Å; N69-E72 CarbonylContact O-C 3.57Å; N69-E72 PolarHBondContact O-N 3.02Å; N69-L73 WeakPolarHBondContact O-CB 3.46Å; N69-L73 PolarHBondContact O-N 2.65Å
70	F	76	Confident	69.8	Low	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-66.7	-39.2	173	177.4	-106.2	0	0	0	112.9	F19 L30 L38 I65 R66 L67 P68 E72 L73 L74	F19-F70 HydrophobicContact CB-CD1 4.12Å; F19-F70 HydrophobicContact CB-CE1 3.93Å; F19-F70 HydrophobicContact CD2-CB 3.74Å; F19-F70 AromaticContact CD2-CD1 3.59Å; F19-F70 HydrophobicContact CD2-CD1 3.59Å; F19-F70 HydrophobicContact CD2-CD2 4.14Å; F19-F70 HydrophobicContact CD2-CE1 4.06Å; F19-F70 AromaticContact CD2-CG 3.58Å; F19-F70 HydrophobicContact CD2-CG 3.58Å; F19-F70 HydrophobicContact CD2-CZ 4.49Å; F19-F70 HydrophobicContact CE2-CB 3.88Å; F19-F70 HydrophobicContact CE2-CG 4.13Å; F19-F70 HydrophobicContact CG-CD1 4.35Å; L30-F70 HydrophobicContact CD1-CB 4.45Å; L30-F70 HydrophobicContact CD1-CD2 3.25Å; L30-F70 HydrophobicContact CD1-CE2 3.31Å; L30-F70 HydrophobicContact CD1-CG 3.93Å; L30-F70 HydrophobicContact CD1-CZ 4.07Å; L38-F70 HydrophobicContact CD2-CD2 4.37Å; L38-F70 HydrophobicContact CD2-CE2 3.14Å; L38-F70 HydrophobicContact CD2-CZ 3.29Å; I65-F70 HydrophobicContact CD1-CB 4.36Å; I65-F70 HydrophobicContact CD1-CD2 4.26Å; R66-F70 PolarHBondContact O-N 3.46Å; L67-F70 WeakPolarHBondContact O-CB 3.17Å; L67-F70 PolarHBondContact O-N 2.83Å; P68-F70 VanDerWaalsContact C-N 3.3Å; F70-E72 VanDerWaalsContact C-N 3.27Å; F70-E72 PolarHBondContact O-N 3.18Å; F70-L73 PolarHBondContact O-N 3.32Å; F70-L74 HydrophobicContact CD1-CD1 3.95Å; F70-L74 HydrophobicContact CE1-CD1 3.24Å; F70-L74 HydrophobicContact CE1-CG 4.26Å; F70-L74 HydrophobicContact CE2-CD1 4.04Å; F70-L74 HydrophobicContact CE2-CG 4.35Å; F70-L74 HydrophobicContact CZ-CD1 3.31Å; F70-L74 HydrophobicContact CZ-CG 4.1Å; F70-L74 WeakPolarHBondContact O-CB 3.36Å; F70-L74 PolarHBondContact O-N 2.8Å
71	I	73.6	Confident	68.5	Low	45 Å²	45	66.9 Å²	66.9	23%	0.231	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-40.7	173.4	-65.6	172.9	0	0	0	109.8	Y12 L15 L67 P68 L74 G75	Y12-I71 HydrophobicContact CD2-CD1 3.43Å; Y12-I71 VanDerWaalsContact CD2-CD1 3.43Å; Y12-I71 HydrophobicContact CE2-CD1 3.28Å; Y12-I71 HydrophobicContact CG-CD1 4.43Å; L15-I71 HydrophobicContact CB-CG1 4.32Å; L15-I71 HydrophobicContact CD1-CB 4.34Å; L15-I71 HydrophobicContact CD1-CG1 3.96Å; L15-I71 HydrophobicContact CD1-CG2 3.9Å; L67-I71 HydrophobicContact CD2-CD1 3.81Å; L67-I71 HydrophobicContact CD2-CG1 4.4Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 2.66Å; P68-I71 PolarHBondContact O-N 2.81Å; I71-L74 PolarHBondContact O-N 2.87Å; I71-G75 PolarHBondContact O-N 2.71Å
72	E	74.8	Confident	67.4	Low	115 Å²	115	66.5 Å²	66.5	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-68.9	-36	175.2	-162.4	165.3	98.5	0	0	112	L58 P68 N69 F70 G75 R76	L58-E72 HydrophobicContact CD2-CB 4.36Å; L58-E72 HydrophobicContact CD2-CG 4.1Å; L58-E72 WeakPolarHBondContact CD2-OE1 3.1Å; P68-E72 PolarHBondContact O-N 3.19Å; N69-E72 CarbonylContact O-C 3.57Å; N69-E72 PolarHBondContact O-N 3.02Å; F70-E72 VanDerWaalsContact C-N 3.27Å; F70-E72 PolarHBondContact O-N 3.18Å; E72-G75 PolarHBondContact O-N 3.46Å; E72-R76 WeakPolarHBondContact O-CB 3.48Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 PolarHBondContact O-N 2.94Å
73	L	74.2	Confident	66.2	Low	2 Å²	2	66 Å²	66	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-48.8	173.2	-175	136.9	0	0	0	111.1	I35 I54 L58 I65 N69 F70 R76 A77	I35-L73 HydrophobicContact CD1-CD1 4.24Å; I35-L73 HydrophobicContact CG2-CD1 3.94Å; I35-L73 HydrophobicContact CG2-CD2 3.83Å; I54-L73 HydrophobicContact CB-CD1 4.29Å; I54-L73 HydrophobicContact CG2-CD1 3.42Å; I54-L73 VanDerWaalsContact CG2-CD1 3.42Å; I54-L73 HydrophobicContact CG2-CG 3.85Å; L58-L73 HydrophobicContact CD1-CB 3.42Å; L58-L73 VanDerWaalsContact CD1-CB 3.42Å; L58-L73 HydrophobicContact CD1-CD1 3.98Å; L58-L73 HydrophobicContact CD1-CG 3.97Å; I65-L73 HydrophobicContact CD1-CB 3.95Å; I65-L73 HydrophobicContact CD1-CD1 3.56Å; I65-L73 HydrophobicContact CD1-CG 4.21Å; N69-L73 WeakPolarHBondContact O-CB 3.46Å; N69-L73 PolarHBondContact O-N 2.65Å; F70-L73 PolarHBondContact O-N 3.32Å; L73-R76 CarbonylContact O-C 3.54Å; L73-R76 PolarHBondContact O-N 3.36Å; L73-A77 WeakPolarHBondContact O-CA 3.41Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 3.44Å
74	L	68.6	Low	64.8	Low	8 Å²	8	66.9 Å²	66.9	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-38.5	177.7	-92.5	173.1	0	0	0	111.3	L15 L38 L42 F70 I71 A77 L78	L15-L74 HydrophobicContact CD2-CB 4.04Å; L15-L74 HydrophobicContact CD2-CD1 3.27Å; L15-L74 HydrophobicContact CD2-CG 4.25Å; L38-L74 HydrophobicContact CD2-CD1 4.16Å; L38-L74 HydrophobicContact CD2-CD2 4.13Å; L38-L74 HydrophobicContact CD2-CG 4.18Å; L42-L74 HydrophobicContact CD1-CD2 3.66Å; F70-L74 HydrophobicContact CD1-CD1 3.95Å; F70-L74 HydrophobicContact CE1-CD1 3.24Å; F70-L74 HydrophobicContact CE1-CG 4.26Å; F70-L74 HydrophobicContact CE2-CD1 4.04Å; F70-L74 HydrophobicContact CE2-CG 4.35Å; F70-L74 HydrophobicContact CZ-CD1 3.31Å; F70-L74 HydrophobicContact CZ-CG 4.1Å; F70-L74 WeakPolarHBondContact O-CB 3.36Å; F70-L74 PolarHBondContact O-N 2.8Å; I71-L74 PolarHBondContact O-N 2.87Å; L74-A77 PolarHBondContact O-N 2.82Å; L74-L78 WeakPolarHBondContact O-CA 3.34Å; L74-L78 WeakPolarHBondContact O-CB 3.13Å; L74-L78 WeakPolarHBondContact O-CD1 3.43Å; L74-L78 WeakPolarHBondContact O-CG 3.1Å; L74-L78 PolarHBondContact O-N 3Å
75	G	65.6	Low	63.2	Low	29 Å²	29	68.1 Å²	68.1	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-56.2	-51	170.7	0	0	0	0	0	110.8	I71 E72 L78 E79	I71-G75 PolarHBondContact O-N 2.71Å; E72-G75 PolarHBondContact O-N 3.46Å; G75-L78 CarbonylContact O-C 3.54Å; G75-L78 PolarHBondContact O-N 2.59Å; G75-E79 WeakPolarHBondContact O-CB 3.25Å; G75-E79 VanDerWaalsContact O-CG 3.27Å; G75-E79 WeakPolarHBondContact O-CG 3.09Å; G75-E79 PolarHBondContact O-N 3.2Å
76	R	63.5	Low	61.9	Low	126 Å²	126	71.8 Å²	71.8	48%	0.475	37%	0.369	S	S	.	.	H	α-helix	trans	-69.9	-32.7	177.9	-73	-178.8	109.2	168.9	6.1	113.9	E72 L73 S80	E72-R76 WeakPolarHBondContact O-CB 3.48Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 PolarHBondContact O-N 2.94Å; L73-R76 CarbonylContact O-C 3.54Å; L73-R76 PolarHBondContact O-N 3.36Å; R76-S80 WeakPolarHBondContact O-CA 3.27Å; R76-S80 WeakPolarHBondContact O-CB 3.25Å; R76-S80 PolarHBondContact O-N 3.32Å; R76-S80 PolarHBondContact O-OG 2.86Å
77	A	58.4	Low	60.7	Low	9 Å²	9	64.9 Å²	64.9	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-75.4	-36.1	178	0	0	0	0	0	110.6	L39 L73 L74 S80 L81	L39-A77 HydrophobicContact CD2-CB 3.95Å; L73-A77 WeakPolarHBondContact O-CA 3.41Å; L73-A77 WeakPolarHBondContact O-CB 3.24Å; L73-A77 PolarHBondContact O-N 3.44Å; L74-A77 PolarHBondContact O-N 2.82Å; A77-S80 CarbonylContact O-C 3.58Å; A77-L81 WeakPolarHBondContact O-CD1 3.38Å; A77-L81 PolarHBondContact O-N 2.89Å
78	L	54.8	Low	59.9	Low	91 Å²	91	69.2 Å²	69.2	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-74.5	-27.8	170.9	-71.1	166.3	0	0	0	112.3	L74 G75 L81	L74-L78 WeakPolarHBondContact O-CA 3.34Å; L74-L78 WeakPolarHBondContact O-CB 3.13Å; L74-L78 WeakPolarHBondContact O-CD1 3.43Å; L74-L78 WeakPolarHBondContact O-CG 3.1Å; L74-L78 PolarHBondContact O-N 3Å; G75-L78 CarbonylContact O-C 3.54Å; G75-L78 PolarHBondContact O-N 2.59Å; L78-L81 CarbonylContact O-C 3.54Å; L78-L81 VanDerWaalsContact O-CB 3.31Å; L78-L81 WeakPolarHBondContact O-CB 3.26Å
79	E	49.7	Very low	59.3	Low	151 Å²	151	68.1 Å²	68.1	71%	0.706	35%	0.354	S	S	*	.	H	α-helix	trans	-80.3	-31.1	170.2	-80	-179.8	85.9	0	0	111.9	G75 L81 D82	G75-E79 WeakPolarHBondContact O-CB 3.25Å; G75-E79 VanDerWaalsContact O-CG 3.27Å; G75-E79 WeakPolarHBondContact O-CG 3.09Å; G75-E79 PolarHBondContact O-N 3.2Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 CarbonylContact O-C 3.56Å; E79-D82 PolarHBondContact O-N 2.83Å
80	S	46.9	Very low	58.7	Low	92 Å²	92	67.8 Å²	67.8	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-79.1	-18.4	172.2	-62.8	0	0	0	0	111.7	R76 A77 D82	R76-S80 WeakPolarHBondContact O-CA 3.27Å; R76-S80 WeakPolarHBondContact O-CB 3.25Å; R76-S80 PolarHBondContact O-N 3.32Å; R76-S80 PolarHBondContact O-OG 2.86Å; A77-S80 CarbonylContact O-C 3.58Å; S80-D82 PolarHBondContact O-N 3.22Å
81	L	44.2	Very low	58.4	Low	39 Å²	39	68 Å²	68	20%	0.204	35%	0.353	C	S	.	.	S	Bend	trans	-64.4	77.9	140	-92.4	86.1	0	0	0	106.2	I44 A77 L78 E79 Q85	I44-L81 HydrophobicContact CB-CD1 4.37Å; I44-L81 HydrophobicContact CD1-CD1 3.36Å; I44-L81 HydrophobicContact CG1-CD1 3.62Å; I44-L81 HydrophobicContact CG2-CD1 3.89Å; A77-L81 WeakPolarHBondContact O-CD1 3.38Å; A77-L81 PolarHBondContact O-N 2.89Å; L78-L81 CarbonylContact O-C 3.54Å; L78-L81 VanDerWaalsContact O-CB 3.31Å; L78-L81 WeakPolarHBondContact O-CB 3.26Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 CarbonylContact O-C 3.56Å; L81-Q85 HydrophobicContact CB-CB 3.99Å; L81-Q85 HydrophobicContact CB-CG 3.93Å; L81-Q85 HydrophobicContact CD2-CB 4.28Å; L81-Q85 HydrophobicContact CD2-CG 4.48Å; L81-Q85 HydrophobicContact CG-CB 4.32Å; L81-Q85 VanDerWaalsContact CG-CD 3.49Å; L81-Q85 HydrophobicContact CG-CG 4.1Å
82	D	40.9	Very low	58.2	Low	80 Å²	80	75.5 Å²	75.5	43%	0.428	38%	0.379	S	S	.	.			trans	-8.3	135.8	166.2	-130.1	-94.8	0	0	0	113.1	E79 S80 N84 Q85	E79-D82 PolarHBondContact O-N 2.83Å; S80-D82 PolarHBondContact O-N 3.22Å; D82-N84 HydrophobicContact CB-CB 4.24Å; D82-N84 CarbonylContact O-C 3.6Å; D82-N84 PolarHBondContact O-N 3.4Å; D82-N84 WeakPolarHBondContact OD1-CB 3.08Å; D82-N84 PolarHBondContact OD1-ND2 3.41Å; D82-Q85 HydrophobicContact CB-CB 4.5Å; D82-Q85 HydrophobicContact CB-CG 3.7Å; D82-Q85 WeakPolarHBondContact O-CA 3.24Å; D82-Q85 WeakPolarHBondContact O-CB 3.07Å; D82-Q85 PolarHBondContact O-N 2.98Å
83	E	41.6	Very low	57.8	Low	168 Å²	168	73.2 Å²	73.2	79%	0.785	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-11.8	162.6	52.2	-174.9	89.5	0	0	113.9	P86	E83-P86 WeakPolarHBondContact O-CD 3.2Å
84	N	43.6	Very low	57.5	Low	93 Å²	93	73.2 Å²	73.2	50%	0.497	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.8	168.3	-62	-72.2	0	0	0	115.5	D82 V87 K88	D82-N84 HydrophobicContact CB-CB 4.24Å; D82-N84 CarbonylContact O-C 3.6Å; D82-N84 PolarHBondContact O-N 3.4Å; D82-N84 WeakPolarHBondContact OD1-CB 3.08Å; D82-N84 PolarHBondContact OD1-ND2 3.41Å; N84-V87 WeakPolarHBondContact O-CB 3.4Å; N84-V87 PolarHBondContact O-N 2.71Å; N84-K88 PolarHBondContact O-N 3.35Å
85	Q	48.3	Very low	57.8	Low	58 Å²	58	73.5 Å²	73.5	27%	0.271	37%	0.371	S	S	.	.	H	α-helix	trans	-73.9	-28.6	176.9	-72.6	-120.7	15.6	0	0	116.3	L81 D82 V87 K88 T89	L81-Q85 HydrophobicContact CB-CB 3.99Å; L81-Q85 HydrophobicContact CB-CG 3.93Å; L81-Q85 HydrophobicContact CD2-CB 4.28Å; L81-Q85 HydrophobicContact CD2-CG 4.48Å; L81-Q85 HydrophobicContact CG-CB 4.32Å; L81-Q85 VanDerWaalsContact CG-CD 3.49Å; L81-Q85 HydrophobicContact CG-CG 4.1Å; D82-Q85 HydrophobicContact CB-CB 4.5Å; D82-Q85 HydrophobicContact CB-CG 3.7Å; D82-Q85 WeakPolarHBondContact O-CA 3.24Å; D82-Q85 WeakPolarHBondContact O-CB 3.07Å; D82-Q85 PolarHBondContact O-N 2.98Å; Q85-V87 PolarHBondContact O-N 3.5Å; Q85-K88 PolarHBondContact O-N 3.23Å; Q85-T89 VanDerWaalsContact O-CB 3.26Å; Q85-T89 WeakPolarHBondContact O-CB 3.42Å; Q85-T89 PolarHBondContact O-N 2.76Å; Q85-T89 PolarHBondContact O-OG1 2.79Å
86	P	56.5	Low	57.8	Low	77 Å²	77	82.9 Å²	82.9	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-37.8	172.2	23.8	-32.7	0	0	0	109.6	E83 L90	E83-P86 WeakPolarHBondContact O-CD 3.2Å; P86-L90 WeakPolarHBondContact O-CA 3.37Å; P86-L90 WeakPolarHBondContact O-CB 3.13Å; P86-L90 VanDerWaalsContact O-CD1 3.28Å; P86-L90 WeakPolarHBondContact O-CD1 3.31Å; P86-L90 WeakPolarHBondContact O-CG 3.21Å; P86-L90 PolarHBondContact O-N 2.74Å
87	V	57.9	Low	58.3	Low	20 Å²	20	81.1 Å²	81.1	12%	0.121	40%	0.398	C	S	.	.	H	α-helix	trans	-62	-53.7	171.3	179.1	0	0	0	0	110.5	N84 Q85 T89 L90 F91 C140 F143 G144 L147	N84-V87 WeakPolarHBondContact O-CB 3.4Å; N84-V87 PolarHBondContact O-N 2.71Å; Q85-V87 PolarHBondContact O-N 3.5Å; V87-T89 PolarHBondContact O-N 3.44Å; V87-L90 CarbonylContact O-C 3.56Å; V87-L90 PolarHBondContact O-N 2.72Å; V87-F91 WeakPolarHBondContact O-CA 3.27Å; V87-F91 WeakPolarHBondContact O-CB 3.22Å; V87-F91 PolarHBondContact O-N 2.96Å; V87-C140 WeakPolarHBondContact CG1-O 3.21Å; V87-F143 HydrophobicContact CG1-CB 4.48Å; V87-F143 HydrophobicContact CG1-CD1 3.64Å; V87-F143 HydrophobicContact CG1-CE1 4.41Å; V87-F143 HydrophobicContact CG1-CG 4.49Å; V87-G144 VanDerWaalsContact CG2-CA 3.49Å; V87-L147 HydrophobicContact CB-CD1 4.18Å; V87-L147 HydrophobicContact CG1-CD1 4.26Å; V87-L147 HydrophobicContact CG2-CB 4.49Å; V87-L147 HydrophobicContact CG2-CD1 3.82Å
88	K	62.4	Low	58.8	Low	126 Å²	126	83.5 Å²	83.5	55%	0.548	42%	0.423	S	S	.	.	H	α-helix	trans	-67	-36.2	-174.9	-150.7	170.7	-171	170.3	0	113.5	N84 Q85 F91 R92	N84-K88 PolarHBondContact O-N 3.35Å; Q85-K88 PolarHBondContact O-N 3.23Å; K88-F91 WeakPolarHBondContact O-CB 3.44Å; K88-R92 VanDerWaalsContact O-CB 3.3Å; K88-R92 WeakPolarHBondContact O-CB 3.38Å; K88-R92 PolarHBondContact O-N 2.73Å
89	T	64.5	Low	59.9	Low	60 Å²	60	82.9 Å²	82.9	37%	0.368	42%	0.42	S	S	.	.	H	α-helix	trans	-71	-46.4	173	-47.4	0	0	0	0	110.2	Q85 V87 F91 R92 I93	Q85-T89 VanDerWaalsContact O-CB 3.26Å; Q85-T89 WeakPolarHBondContact O-CB 3.42Å; Q85-T89 PolarHBondContact O-N 2.76Å; Q85-T89 PolarHBondContact O-OG1 2.79Å; V87-T89 PolarHBondContact O-N 3.44Å; T89-F91 VanDerWaalsContact C-N 3.26Å; T89-F91 PolarHBondContact O-N 2.82Å; T89-R92 PolarHBondContact O-N 2.75Å; T89-I93 HydrophobicContact CG2-CD1 3.93Å; T89-I93 VanDerWaalsContact O-CB 3.24Å; T89-I93 WeakPolarHBondContact O-CB 3.45Å; T89-I93 WeakPolarHBondContact O-CD1 3.39Å; T89-I93 WeakPolarHBondContact O-CG1 3.41Å; T89-I93 PolarHBondContact O-N 3.5Å
90	L	67.3	Low	61	Low	35 Å²	35	77.2 Å²	77.2	18%	0.183	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-41.5	171.3	-84.3	157.9	0	0	0	110.7	P86 V87 I93 V94 I114 F143 L147	P86-L90 WeakPolarHBondContact O-CA 3.37Å; P86-L90 WeakPolarHBondContact O-CB 3.13Å; P86-L90 VanDerWaalsContact O-CD1 3.28Å; P86-L90 WeakPolarHBondContact O-CD1 3.31Å; P86-L90 WeakPolarHBondContact O-CG 3.21Å; P86-L90 PolarHBondContact O-N 2.74Å; V87-L90 CarbonylContact O-C 3.56Å; V87-L90 PolarHBondContact O-N 2.72Å; L90-I93 CarbonylContact O-C 3.54Å; L90-I93 WeakPolarHBondContact O-CB 3.09Å; L90-I93 PolarHBondContact O-N 2.69Å; L90-I93 VanDerWaalsContact O-N 3.15Å; L90-V94 WeakPolarHBondContact O-CB 3.49Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.28Å; L90-I114 HydrophobicContact CD2-CD1 3.68Å; L90-I114 HydrophobicContact CD2-CG2 4.28Å; L90-F143 HydrophobicContact CB-CE1 3.73Å; L90-F143 HydrophobicContact CB-CZ 4.22Å; L90-L147 HydrophobicContact CD1-CD1 3.94Å; L90-L147 HydrophobicContact CD1-CD2 4.44Å
91	F	68.7	Low	62.5	Low	5 Å²	5	76 Å²	76	2%	0.022	39%	0.386	C	S	.	.	H	α-helix	trans	-59.7	-54.2	179.8	-168.3	-83.5	0	0	0	109.1	V87 K88 T89 I93 V94 D95 G100 L102 L138 D139 C140 F143	V87-F91 WeakPolarHBondContact O-CA 3.27Å; V87-F91 WeakPolarHBondContact O-CB 3.22Å; V87-F91 PolarHBondContact O-N 2.96Å; K88-F91 WeakPolarHBondContact O-CB 3.44Å; T89-F91 VanDerWaalsContact C-N 3.26Å; T89-F91 PolarHBondContact O-N 2.82Å; F91-I93 PolarHBondContact O-N 2.79Å; F91-V94 CarbonylContact O-C 3.57Å; F91-V94 PolarHBondContact O-N 2.75Å; F91-D95 HydrophobicContact CD1-CB 4.04Å; F91-D95 HydrophobicContact CE1-CB 4.03Å; F91-D95 WeakPolarHBondContact O-CB 3.33Å; F91-D95 PolarHBondContact O-N 2.75Å; F91-G100 VanDerWaalsContact CE1-C 3.46Å; F91-G100 VanDerWaalsContact CE1-O 3.25Å; F91-G100 WeakPolarHBondContact CE1-O 3.45Å; F91-G100 WeakPolarHBondContact CZ-O 3.4Å; F91-L102 HydrophobicContact CD1-CD1 4.42Å; F91-L102 HydrophobicContact CD1-CG 4.49Å; F91-L102 HydrophobicContact CD2-CD1 3.26Å; F91-L102 HydrophobicContact CD2-CG 3.96Å; F91-L102 HydrophobicContact CE1-CD1 4.44Å; F91-L102 HydrophobicContact CE1-CG 4.14Å; F91-L102 HydrophobicContact CE2-CB 4.07Å; F91-L102 HydrophobicContact CE2-CD1 3.31Å; F91-L102 HydrophobicContact CE2-CG 3.57Å; F91-L102 HydrophobicContact CG-CD1 3.86Å; F91-L102 HydrophobicContact CG-CG 4.41Å; F91-L102 HydrophobicContact CZ-CB 4.2Å; F91-L102 HydrophobicContact CZ-CD1 3.95Å; F91-L102 HydrophobicContact CZ-CG 3.68Å; F91-L138 VanDerWaalsContact CE2-O 3.27Å; F91-L138 WeakPolarHBondContact CE2-O 3.36Å; F91-L138 VanDerWaalsContact CZ-O 3.24Å; F91-L138 WeakPolarHBondContact CZ-O 3.48Å; F91-D139 WeakPolarHBondContact CE2-O 3.15Å; F91-C140 WeakPolarHBondContact CD1-SG 3.22Å; F91-C140 HydrophobicContact CD2-CB 4.34Å; F91-C140 HydrophobicContact CE2-CB 4.44Å; F91-C140 VanDerWaalsContact CE2-N 3.28Å; F91-C140 HydrophobicContact CG-CB 4.46Å; F91-C140 WeakPolarHBondContact CG-SG 3.18Å; F91-F143 HydrophobicContact CB-CD1 3.98Å; F91-F143 HydrophobicContact CB-CE1 4.31Å; F91-F143 HydrophobicContact CD2-CB 3.5Å; F91-F143 VanDerWaalsContact CD2-CB 3.5Å; F91-F143 AromaticContact CD2-CD1 3.67Å; F91-F143 HydrophobicContact CD2-CD1 3.67Å; F91-F143 AromaticContact CD2-CG 3.68Å; F91-F143 HydrophobicContact CD2-CG 3.68Å; F91-F143 HydrophobicContact CE2-CB 3.77Å; F91-F143 HydrophobicContact CE2-CG 4.3Å; F91-F143 HydrophobicContact CG-CD1 4.34Å
92	R	69.5	Low	64	Low	201 Å²	201	74.2 Å²	74.2	76%	0.758	38%	0.377	S	S	*	.	H	α-helix	trans	-65.7	-23.1	177.8	-163.1	172	173.6	-168.6	-2.6	113.9	K88 T89	K88-R92 VanDerWaalsContact O-CB 3.3Å; K88-R92 WeakPolarHBondContact O-CB 3.38Å; K88-R92 PolarHBondContact O-N 2.73Å; T89-R92 PolarHBondContact O-N 2.75Å
93	I	67.5	Low	65.9	Low	67 Å²	67	73 Å²	73	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-75.6	-43.7	172	-76.2	170.3	0	0	0	109.1	T89 L90 F91 R110	T89-I93 HydrophobicContact CG2-CD1 3.93Å; T89-I93 VanDerWaalsContact O-CB 3.24Å; T89-I93 WeakPolarHBondContact O-CB 3.45Å; T89-I93 WeakPolarHBondContact O-CD1 3.39Å; T89-I93 WeakPolarHBondContact O-CG1 3.41Å; T89-I93 PolarHBondContact O-N 3.5Å; L90-I93 CarbonylContact O-C 3.54Å; L90-I93 WeakPolarHBondContact O-CB 3.09Å; L90-I93 PolarHBondContact O-N 2.69Å; L90-I93 VanDerWaalsContact O-N 3.15Å; F91-I93 PolarHBondContact O-N 2.79Å; I93-R110 PolarHBondContact O-NE 3.47Å; I93-R110 PolarHBondContact O-NH2 3.32Å
94	V	67.6	Low	67.5	Low	3 Å²	3	66.5 Å²	66.5	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-73.7	-41.5	-177.2	-179.4	0	0	0	0	110.6	L90 F91 R96 L102 I107 R110 I114 F143	L90-V94 WeakPolarHBondContact O-CB 3.49Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.28Å; F91-V94 CarbonylContact O-C 3.57Å; F91-V94 PolarHBondContact O-N 2.75Å; V94-R96 PolarHBondContact O-N 3.36Å; V94-L102 VanDerWaalsContact C-CD2 3.5Å; V94-L102 HydrophobicContact CB-CD1 4.04Å; V94-L102 HydrophobicContact CB-CD2 3.69Å; V94-L102 HydrophobicContact CG1-CD1 3.87Å; V94-L102 HydrophobicContact CG1-CD2 3.24Å; V94-L102 HydrophobicContact CG1-CG 4.21Å; V94-I107 HydrophobicContact CG1-CG1 4.22Å; V94-R110 HydrophobicContact CB-CB 4.09Å; V94-R110 HydrophobicContact CB-CG 4.39Å; V94-R110 HydrophobicContact CG1-CB 3.73Å; V94-R110 HydrophobicContact CG1-CG 4.32Å; V94-R110 HydrophobicContact CG2-CB 3.87Å; V94-R110 HydrophobicContact CG2-CG 4.44Å; V94-I114 HydrophobicContact CG2-CD1 4.3Å; V94-F143 HydrophobicContact CG2-CZ 4.09Å
95	D	73.6	Confident	69.1	Low	14 Å²	14	66.5 Å²	66.5	8%	0.075	34%	0.342	C	S	.	.			trans	-73	99.2	-178.6	176.5	9.6	0	0	0	108.7	F91 N97 G98 D99 G100 L102	F91-D95 HydrophobicContact CD1-CB 4.04Å; F91-D95 HydrophobicContact CE1-CB 4.03Å; F91-D95 WeakPolarHBondContact O-CB 3.33Å; F91-D95 PolarHBondContact O-N 2.75Å; D95-N97 PolarHBondContact OD1-OD1 3.3Å; D95-G98 WeakPolarHBondContact OD1-CA 3.31Å; D95-G98 PolarHBondContact OD1-N 2.83Å; D95-G98 WeakPolarHBondContact OD2-CA 3.33Å; D95-D99 PolarHBondContact OD1-N 3.37Å; D95-D99 PolarHBondContact OD2-N 3.37Å; D95-G100 WeakPolarHBondContact OD2-CA 3.05Å; D95-G100 PolarHBondContact OD2-N 3.31Å; D95-L102 VanDerWaalsContact CA-CD2 3.49Å; D95-L102 HydrophobicContact CB-CD2 3.8Å; D95-L102 HydrophobicContact CB-CG 4.23Å; D95-L102 VanDerWaalsContact N-CD2 3.31Å
96	R	67.5	Low	70.6	Confident	225 Å²	225	64.9 Å²	64.9	85%	0.849	34%	0.335	S	S	*	.	S	Bend	trans	-89.9	-34.9	-169.4	-167	-172	-177.7	-162.5	-0.2	111.2	V94 E106	V94-R96 PolarHBondContact O-N 3.36Å; R96-E106 WeakPolarHBondContact CA-OE1 3.47Å; R96-E106 WeakPolarHBondContact CB-OE1 3.45Å; R96-E106 PolarHBondContact N-OE1 2.83Å
97	N	73.8	Confident	71.4	Confident	90 Å²	90	61.2 Å²	61.2	48%	0.481	31%	0.311	S	S	.	.	S	Bend	trans	-71.9	-21.6	170.5	51.6	-23.3	0	0	0	111.5	D95 D99 E106	D95-N97 PolarHBondContact OD1-OD1 3.3Å; N97-D99 PolarHBondContact ND2-OD1 2.88Å; N97-D99 PolarHBondContact O-N 3.1Å; N97-E106 PolarHBondContact OD1-OE1 2.68Å; N97-E106 VanDerWaalsContact OD1-OE1 3.09Å; N97-E106 PolarHBondContact OD1-OE2 3.3Å
98	G	69.1	Low	72.2	Confident	58 Å²	58	60.8 Å²	60.8	60%	0.598	31%	0.309	S	S	*	.			trans	65.9	25.4	179.1	0	0	0	0	0	111.6	D95	D95-G98 WeakPolarHBondContact OD1-CA 3.31Å; D95-G98 PolarHBondContact OD1-N 2.83Å; D95-G98 WeakPolarHBondContact OD2-CA 3.33Å
99	D	76.2	Confident	72.7	Confident	78 Å²	78	60.8 Å²	60.8	42%	0.417	32%	0.315	S	S	.	.	S	Bend	trans	-81.7	-9.9	-176.7	99	-84.9	0	0	0	111.8	D95 N97 H101	D95-D99 PolarHBondContact OD1-N 3.37Å; D95-D99 PolarHBondContact OD2-N 3.37Å; N97-D99 PolarHBondContact ND2-OD1 2.88Å; N97-D99 PolarHBondContact O-N 3.1Å; D99-H101 PolarHBondContact OD1-N 3.46Å; D99-H101 IonicContact OD2-CE1 3.63Å; D99-H101 IonicContact OD2-CG 3.46Å; D99-H101 IonicContact OD2-ND1 3.76Å; D99-H101 PolarHBondContact OD2-ND1 2.91Å
100	G	72.9	Confident	72.9	Confident	32 Å²	32	62.7 Å²	62.7	33%	0.33	32%	0.315	S	S	.	.	S	Bend	trans	90.1	2.9	-178.2	0	0	0	0	0	113.4	F91 D95	F91-G100 VanDerWaalsContact CE1-C 3.46Å; F91-G100 VanDerWaalsContact CE1-O 3.25Å; F91-G100 WeakPolarHBondContact CE1-O 3.45Å; F91-G100 WeakPolarHBondContact CZ-O 3.4Å; D95-G100 WeakPolarHBondContact OD2-CA 3.05Å; D95-G100 PolarHBondContact OD2-N 3.31Å
101	H	78.7	Confident	72.9	Confident	68 Å²	68	61.2 Å²	61.2	32%	0.315	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.3	174.9	-44.5	82.1	0	0	0	110.9	D99 T137 L138 D139	D99-H101 PolarHBondContact OD1-N 3.46Å; D99-H101 IonicContact OD2-CE1 3.63Å; D99-H101 IonicContact OD2-CG 3.46Å; D99-H101 IonicContact OD2-ND1 3.76Å; D99-H101 PolarHBondContact OD2-ND1 2.91Å; H101-T137 VanDerWaalsContact CB-CB 3.44Å; H101-T137 HydrophobicContact CB-CG2 4.21Å; H101-T137 WeakPolarHBondContact CB-OG1 3.03Å; H101-L138 CarbonylContact C-O 3.51Å; H101-L138 WeakPolarHBondContact CA-O 3.32Å; H101-D139 IonicContact CD2-OD1 2.75Å; H101-D139 PolarHBondContact CD2-OD1 3.15Å
102	L	76.7	Confident	72.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114	-175.6	-85	175.2	0	0	0	111.3	F91 V94 D95 E106 I107 T137 L138 F143	F91-L102 HydrophobicContact CD1-CD1 4.42Å; F91-L102 HydrophobicContact CD1-CG 4.49Å; F91-L102 HydrophobicContact CD2-CD1 3.26Å; F91-L102 HydrophobicContact CD2-CG 3.96Å; F91-L102 HydrophobicContact CE1-CD1 4.44Å; F91-L102 HydrophobicContact CE1-CG 4.14Å; F91-L102 HydrophobicContact CE2-CB 4.07Å; F91-L102 HydrophobicContact CE2-CD1 3.31Å; F91-L102 HydrophobicContact CE2-CG 3.57Å; F91-L102 HydrophobicContact CG-CD1 3.86Å; F91-L102 HydrophobicContact CG-CG 4.41Å; F91-L102 HydrophobicContact CZ-CB 4.2Å; F91-L102 HydrophobicContact CZ-CD1 3.95Å; F91-L102 HydrophobicContact CZ-CG 3.68Å; V94-L102 VanDerWaalsContact C-CD2 3.5Å; V94-L102 HydrophobicContact CB-CD1 4.04Å; V94-L102 HydrophobicContact CB-CD2 3.69Å; V94-L102 HydrophobicContact CG1-CD1 3.87Å; V94-L102 HydrophobicContact CG1-CD2 3.24Å; V94-L102 HydrophobicContact CG1-CG 4.21Å; D95-L102 VanDerWaalsContact CA-CD2 3.49Å; D95-L102 HydrophobicContact CB-CD2 3.8Å; D95-L102 HydrophobicContact CB-CG 4.23Å; D95-L102 VanDerWaalsContact N-CD2 3.31Å; L102-E106 HydrophobicContact CD2-CB 4.13Å; L102-I107 HydrophobicContact CB-CD1 3.74Å; L102-I107 HydrophobicContact CB-CG1 3.69Å; L102-I107 HydrophobicContact CD1-CD1 4.42Å; L102-I107 HydrophobicContact CD1-CG1 4.08Å; L102-I107 HydrophobicContact CD2-CG1 4.26Å; L102-I107 HydrophobicContact CG-CG1 4.26Å; L102-T137 CarbonylContact O-C 3.57Å; L102-T137 WeakPolarHBondContact O-CA 3.45Å; L102-L138 HydrophobicContact CB-CB 4.12Å; L102-L138 PolarHBondContact N-O 2.71Å; L102-L138 PolarHBondContact O-N 2.97Å; L102-F143 HydrophobicContact CD1-CB 4.38Å; L102-F143 HydrophobicContact CD1-CD1 4.32Å; L102-F143 HydrophobicContact CD1-CD2 3.64Å; L102-F143 HydrophobicContact CD1-CE2 3.92Å; L102-F143 HydrophobicContact CD1-CG 3.87Å; L102-F143 HydrophobicContact CD1-CZ 4.38Å
103	D	79.2	Confident	72.6	Confident	56 Å²	56	62.5 Å²	62.5	30%	0.299	33%	0.326	S	S	.	.			trans	-75.7	153.5	173.3	32.5	-115.5	0	0	0	113	D105 E106 I107 T137	D103-D105 PolarHBondContact O-N 3.48Å; D103-E106 PolarHBondContact N-OE2 3.23Å; D103-E106 PolarHBondContact O-N 3.34Å; D103-E106 VanDerWaalsContact OD2-CG 3.26Å; D103-E106 WeakPolarHBondContact OD2-CG 3.34Å; D103-I107 PolarHBondContact O-N 2.81Å; D103-T137 HydrophobicContact CB-CG2 4.18Å
104	P	76.2	Confident	72.2	Confident	31 Å²	31	62.5 Å²	62.5	20%	0.201	33%	0.326	C	S	.	.	H	α-helix	trans	-52.4	-30.9	179.4	13.2	-28.7	0	0	0	114.1	A108 L127 Q136	P104-A108 WeakPolarHBondContact O-CB 3.13Å; P104-A108 PolarHBondContact O-N 3.3Å; P104-L127 HydrophobicContact CB-CD1 3.66Å; P104-Q136 VanDerWaalsContact CD-O 3.25Å; P104-Q136 WeakPolarHBondContact CD-O 3.43Å
105	D	78	Confident	71.8	Confident	92 Å²	92	66 Å²	66	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-71.9	-44.4	177.2	-103.8	-83.4	0	0	0	111.8	D103 A108 L109 K120	D103-D105 PolarHBondContact O-N 3.48Å; D105-A108 PolarHBondContact O-N 3.37Å; D105-L109 VanDerWaalsContact O-CB 3.31Å; D105-L109 WeakPolarHBondContact O-CB 3.45Å; D105-L109 PolarHBondContact O-N 2.76Å; D105-K120 WeakPolarHBondContact OD1-CE 3.45Å; D105-K120 IonicContact OD1-NZ 2.67Å; D105-K120 PolarHBondContact OD1-NZ 3.28Å; D105-K120 WeakPolarHBondContact OD2-CE 3.32Å; D105-K120 IonicContact OD2-NZ 2.65Å; D105-K120 PolarHBondContact OD2-NZ 3.27Å
106	E	78.8	Confident	71.1	Confident	25 Å²	25	72.1 Å²	72.1	12%	0.117	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-47.9	175	-82.9	180	128.5	0	0	112.3	R96 N97 L102 D103 A108 L109 R110	R96-E106 WeakPolarHBondContact CA-OE1 3.47Å; R96-E106 WeakPolarHBondContact CB-OE1 3.45Å; R96-E106 PolarHBondContact N-OE1 2.83Å; N97-E106 PolarHBondContact OD1-OE1 2.68Å; N97-E106 VanDerWaalsContact OD1-OE1 3.09Å; N97-E106 PolarHBondContact OD1-OE2 3.3Å; L102-E106 HydrophobicContact CD2-CB 4.13Å; D103-E106 PolarHBondContact N-OE2 3.23Å; D103-E106 PolarHBondContact O-N 3.34Å; D103-E106 VanDerWaalsContact OD2-CG 3.26Å; D103-E106 WeakPolarHBondContact OD2-CG 3.34Å; E106-A108 PolarHBondContact O-N 3.01Å; E106-L109 PolarHBondContact O-N 3.22Å; E106-R110 WeakPolarHBondContact O-CB 3.39Å; E106-R110 PolarHBondContact O-N 2.79Å
107	I	73.5	Confident	70.7	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-49.8	178.4	-61.2	174.4	0	0	0	110	V94 L102 D103 L109 R110 M111 V123 L127 L138 F143	V94-I107 HydrophobicContact CG1-CG1 4.22Å; L102-I107 HydrophobicContact CB-CD1 3.74Å; L102-I107 HydrophobicContact CB-CG1 3.69Å; L102-I107 HydrophobicContact CD1-CD1 4.42Å; L102-I107 HydrophobicContact CD1-CG1 4.08Å; L102-I107 HydrophobicContact CD2-CG1 4.26Å; L102-I107 HydrophobicContact CG-CG1 4.26Å; D103-I107 PolarHBondContact O-N 2.81Å; I107-L109 VanDerWaalsContact C-N 3.31Å; I107-L109 PolarHBondContact O-N 3.45Å; I107-R110 PolarHBondContact O-N 2.92Å; I107-M111 HydrophobicContact CG2-CB 4.44Å; I107-M111 HydrophobicContact CG2-CG 3.77Å; I107-M111 HydrophobicContact CG2-SD 3.8Å; I107-M111 WeakPolarHBondContact O-CA 3.48Å; I107-M111 WeakPolarHBondContact O-CB 3.5Å; I107-M111 WeakPolarHBondContact O-CG 3.29Å; I107-M111 PolarHBondContact O-N 2.68Å; I107-V123 HydrophobicContact CB-CG1 3.84Å; I107-V123 HydrophobicContact CG2-CG1 3.61Å; I107-V123 HydrophobicContact CG2-CG2 4.07Å; I107-L127 HydrophobicContact CD1-CD1 4.44Å; I107-L138 HydrophobicContact CD1-CB 4.06Å; I107-L138 HydrophobicContact CD1-CD1 3.22Å; I107-L138 HydrophobicContact CD1-CG 4.18Å; I107-F143 HydrophobicContact CD1-CD2 4.46Å; I107-F143 HydrophobicContact CG2-CE2 4.47Å
108	A	73.9	Confident	70.1	Confident	10 Å²	10	67 Å²	67	8%	0.083	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-42.9	-179.8	0	0	0	0	0	111.9	P104 D105 E106 S112 K120 V123	P104-A108 WeakPolarHBondContact O-CB 3.13Å; P104-A108 PolarHBondContact O-N 3.3Å; D105-A108 PolarHBondContact O-N 3.37Å; E106-A108 PolarHBondContact O-N 3.01Å; A108-S112 WeakPolarHBondContact O-CB 3.48Å; A108-S112 PolarHBondContact O-N 3.44Å; A108-K120 HydrophobicContact CB-CB 4.02Å; A108-K120 HydrophobicContact CB-CD 4.46Å; A108-K120 HydrophobicContact CB-CG 3.79Å; A108-V123 HydrophobicContact CB-CB 4.42Å; A108-V123 HydrophobicContact CB-CG1 4.43Å; A108-V123 HydrophobicContact CB-CG2 4.3Å
109	L	73.1	Confident	70.1	Confident	126 Å²	126	67.9 Å²	67.9	66%	0.66	35%	0.348	S	S	*	.	H	α-helix	trans	-65.6	-45.7	-178.9	-164.5	80.8	0	0	0	112.1	D105 E106 I107 K113	D105-L109 VanDerWaalsContact O-CB 3.31Å; D105-L109 WeakPolarHBondContact O-CB 3.45Å; D105-L109 PolarHBondContact O-N 2.76Å; E106-L109 PolarHBondContact O-N 3.22Å; I107-L109 VanDerWaalsContact C-N 3.31Å; I107-L109 PolarHBondContact O-N 3.45Å; L109-K113 PolarHBondContact O-N 3.48Å
110	R	69.3	Low	69.8	Low	101 Å²	101	68.8 Å²	68.8	38%	0.381	35%	0.348	S	S	.	.	H	α-helix	trans	-82.6	-41.2	-175.5	-95.6	-97.4	-163.7	-166.8	10.8	112.6	I93 V94 E106 I107 S112 K113 I114	I93-R110 PolarHBondContact O-NE 3.47Å; I93-R110 PolarHBondContact O-NH2 3.32Å; V94-R110 HydrophobicContact CB-CB 4.09Å; V94-R110 HydrophobicContact CB-CG 4.39Å; V94-R110 HydrophobicContact CG1-CB 3.73Å; V94-R110 HydrophobicContact CG1-CG 4.32Å; V94-R110 HydrophobicContact CG2-CB 3.87Å; V94-R110 HydrophobicContact CG2-CG 4.44Å; E106-R110 WeakPolarHBondContact O-CB 3.39Å; E106-R110 PolarHBondContact O-N 2.79Å; I107-R110 PolarHBondContact O-N 2.92Å; R110-S112 VanDerWaalsContact C-N 3.3Å; R110-S112 PolarHBondContact O-N 2.76Å; R110-K113 CarbonylContact O-C 3.6Å; R110-K113 WeakPolarHBondContact O-CA 3.47Å; R110-K113 VanDerWaalsContact O-CB 3.3Å; R110-K113 WeakPolarHBondContact O-CB 3.42Å; R110-K113 PolarHBondContact O-N 2.88Å; R110-I114 WeakPolarHBondContact O-CD1 3.46Å; R110-I114 VanDerWaalsContact O-CG1 3.24Å; R110-I114 WeakPolarHBondContact O-CG1 3.25Å; R110-I114 PolarHBondContact O-N 3.4Å
111	M	66.9	Low	70	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.02	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-33.5	173.9	-72.5	-152.9	134.2	0	0	111.9	I107 K113 I114 F115 I118 F143 L146 L147	I107-M111 HydrophobicContact CG2-CB 4.44Å; I107-M111 HydrophobicContact CG2-CG 3.77Å; I107-M111 HydrophobicContact CG2-SD 3.8Å; I107-M111 WeakPolarHBondContact O-CA 3.48Å; I107-M111 WeakPolarHBondContact O-CB 3.5Å; I107-M111 WeakPolarHBondContact O-CG 3.29Å; I107-M111 PolarHBondContact O-N 2.68Å; M111-K113 VanDerWaalsContact C-N 3.26Å; M111-K113 PolarHBondContact O-N 3.11Å; M111-I114 PolarHBondContact O-N 3.26Å; M111-F115 HydrophobicContact CE-CD2 4.4Å; M111-F115 HydrophobicContact CE-CE2 4.35Å; M111-F115 WeakPolarHBondContact O-CB 3.49Å; M111-F115 PolarHBondContact O-N 2.83Å; M111-I118 HydrophobicContact CB-CG2 3.43Å; M111-I118 VanDerWaalsContact CB-CG2 3.43Å; M111-I118 HydrophobicContact SD-CD1 4.11Å; M111-I118 HydrophobicContact SD-CG2 4.47Å; M111-F143 HydrophobicContact CE-CE2 3.81Å; M111-F143 HydrophobicContact CE-CZ 3.86Å; M111-F143 HydrophobicContact SD-CE2 4.42Å; M111-L146 HydrophobicContact CE-CD2 4.25Å; M111-L146 HydrophobicContact SD-CD2 4.21Å; M111-L147 HydrophobicContact CE-CD2 3.44Å; M111-L147 VanDerWaalsContact CE-CD2 3.44Å; M111-L147 HydrophobicContact CE-CG 4.07Å
112	S	66.5	Low	69.7	Low	56 Å²	56	75.6 Å²	75.6	39%	0.392	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-36.9	169.4	-173.9	0	0	0	0	111.1	A108 R110 D116	A108-S112 WeakPolarHBondContact O-CB 3.48Å; A108-S112 PolarHBondContact O-N 3.44Å; R110-S112 VanDerWaalsContact C-N 3.3Å; R110-S112 PolarHBondContact O-N 2.76Å; S112-D116 WeakPolarHBondContact O-CA 3.46Å; S112-D116 PolarHBondContact O-N 3.07Å
113	K	65.3	Low	69.4	Low	177 Å²	177	75.6 Å²	75.6	77%	0.77	37%	0.372	S	S	*	.	H	α-helix	trans	-71	-33.6	174.8	-112.2	-179.7	178.5	178.4	0	115	L109 R110 M111	L109-K113 PolarHBondContact O-N 3.48Å; R110-K113 CarbonylContact O-C 3.6Å; R110-K113 WeakPolarHBondContact O-CA 3.47Å; R110-K113 VanDerWaalsContact O-CB 3.3Å; R110-K113 WeakPolarHBondContact O-CB 3.42Å; R110-K113 PolarHBondContact O-N 2.88Å; M111-K113 VanDerWaalsContact C-N 3.26Å; M111-K113 PolarHBondContact O-N 3.11Å
114	I	60	Low	69.2	Low	67 Å²	67	81.1 Å²	81.1	34%	0.344	39%	0.388	S	S	.	.	H	α-helix	trans	-89.2	-39.6	-174	-64.6	160.4	0	0	0	110.7	L90 V94 R110 M111	L90-I114 HydrophobicContact CD2-CD1 3.68Å; L90-I114 HydrophobicContact CD2-CG2 4.28Å; V94-I114 HydrophobicContact CG2-CD1 4.3Å; R110-I114 WeakPolarHBondContact O-CD1 3.46Å; R110-I114 VanDerWaalsContact O-CG1 3.24Å; R110-I114 WeakPolarHBondContact O-CG1 3.25Å; R110-I114 PolarHBondContact O-N 3.4Å; M111-I114 PolarHBondContact O-N 3.26Å
115	F	59.7	Low	69.2	Low	77 Å²	77	85.3 Å²	85.3	34%	0.338	41%	0.409	S	S	.	.	H	α-helix	trans	-113.1	0.4	-172.9	-72	-66.5	0	0	0	114.4	M111 K117 L147 F151	M111-F115 HydrophobicContact CE-CD2 4.4Å; M111-F115 HydrophobicContact CE-CE2 4.35Å; M111-F115 WeakPolarHBondContact O-CB 3.49Å; M111-F115 PolarHBondContact O-N 2.83Å; F115-K117 WeakPolarHBondContact O-CB 3.48Å; F115-K117 PolarHBondContact O-N 3.27Å; F115-L147 HydrophobicContact CE2-CD2 4.4Å; F115-F151 HydrophobicContact CD1-CE1 4.16Å; F115-F151 HydrophobicContact CD1-CE2 4.41Å; F115-F151 AromaticContact CD1-CZ 3.45Å; F115-F151 HydrophobicContact CD1-CZ 3.45Å; F115-F151 VanDerWaalsContact CD1-CZ 3.45Å; F115-F151 HydrophobicContact CD2-CE2 4.35Å; F115-F151 HydrophobicContact CD2-CZ 4.14Å; F115-F151 AromaticContact CE1-CE1 3.65Å; F115-F151 HydrophobicContact CE1-CE1 3.65Å; F115-F151 AromaticContact CE1-CE2 3.96Å; F115-F151 HydrophobicContact CE1-CE2 3.96Å; F115-F151 AromaticContact CE1-CZ 3.06Å; F115-F151 HydrophobicContact CE1-CZ 3.06Å; F115-F151 AromaticContact CE2-CE2 3.87Å; F115-F151 HydrophobicContact CE2-CE2 3.87Å; F115-F151 AromaticContact CE2-CZ 3.79Å; F115-F151 HydrophobicContact CE2-CZ 3.79Å; F115-F151 AromaticContact CG-CZ 3.97Å; F115-F151 HydrophobicContact CG-CZ 3.97Å; F115-F151 HydrophobicContact CZ-CE1 4.08Å; F115-F151 AromaticContact CZ-CE2 3.65Å; F115-F151 HydrophobicContact CZ-CE2 3.65Å; F115-F151 AromaticContact CZ-CZ 3.24Å; F115-F151 HydrophobicContact CZ-CZ 3.24Å
116	D	57.6	Low	68.8	Low	141 Å²	141	82.6 Å²	82.6	75%	0.754	39%	0.394	S	S	*	.	S	Bend	trans	52.3	1.6	175.4	-147.4	-110.2	0	0	0	115.8	S112	S112-D116 WeakPolarHBondContact O-CA 3.46Å; S112-D116 PolarHBondContact O-N 3.07Å
117	K	59	Low	68.6	Low	178 Å²	178	82 Å²	82	77%	0.774	39%	0.391	S	S	*	.			trans	-140.1	-2.5	-165.5	-77.4	-165.2	172.6	-177.1	0	116.8	F115	F115-K117 WeakPolarHBondContact O-CB 3.48Å; F115-K117 PolarHBondContact O-N 3.27Å
118	I	61.9	Low	68.8	Low	29 Å²	29	88.6 Å²	88.6	15%	0.149	43%	0.427	C	S	.	.			trans	-94	123.1	176	-131.8	166.5	0	0	0	109.4	M111 E122 V123 L126	M111-I118 HydrophobicContact CB-CG2 3.43Å; M111-I118 VanDerWaalsContact CB-CG2 3.43Å; M111-I118 HydrophobicContact SD-CD1 4.11Å; M111-I118 HydrophobicContact SD-CG2 4.47Å; I118-E122 HydrophobicContact CG1-CB 3.94Å; I118-V123 HydrophobicContact CB-CG2 4.46Å; I118-V123 HydrophobicContact CD1-CG2 4.37Å; I118-V123 HydrophobicContact CG1-CG2 4.26Å; I118-V123 HydrophobicContact CG2-CG2 3.49Å; I118-V123 VanDerWaalsContact CG2-CG2 3.49Å; I118-L126 HydrophobicContact CD1-CD1 3.55Å; I118-L126 HydrophobicContact CG1-CD1 4.36Å
119	T	68.3	Low	68.8	Low	78 Å²	78	92.6 Å²	92.6	48%	0.479	45%	0.45	S	S	.	.			trans	-87.6	158.6	173.9	43.9	0	0	0	0	111.5	E121 E122 V123	T119-E121 PolarHBondContact O-N 3.38Å; T119-E121 VanDerWaalsContact O-N 3.16Å; T119-E122 PolarHBondContact N-OE2 3.46Å; T119-E122 PolarHBondContact O-N 2.99Å; T119-E122 PolarHBondContact OG1-OE2 2.81Å; T119-V123 PolarHBondContact O-N 3.04Å
120	K	70.9	Confident	68.8	Low	96 Å²	96	87.2 Å²	87.2	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-57.5	-29.5	177.8	-161.5	170.2	-177.6	175	0	112.8	D105 A108 R124	D105-K120 WeakPolarHBondContact OD1-CE 3.45Å; D105-K120 IonicContact OD1-NZ 2.67Å; D105-K120 PolarHBondContact OD1-NZ 3.28Å; D105-K120 WeakPolarHBondContact OD2-CE 3.32Å; D105-K120 IonicContact OD2-NZ 2.65Å; D105-K120 PolarHBondContact OD2-NZ 3.27Å; A108-K120 HydrophobicContact CB-CB 4.02Å; A108-K120 HydrophobicContact CB-CD 4.46Å; A108-K120 HydrophobicContact CB-CG 3.79Å; K120-R124 WeakPolarHBondContact O-CG 3.13Å; K120-R124 PolarHBondContact O-N 3.41Å; K120-R124 VanDerWaalsContact O-N 3.11Å
121	E	76	Confident	68.8	Low	154 Å²	154	84.2 Å²	84.2	72%	0.72	41%	0.412	S	S	*	.	H	α-helix	trans	-71	-44.8	173.4	-73.3	-179.8	81.6	0	0	112.5	T119 V123 R124 L125	T119-E121 PolarHBondContact O-N 3.38Å; T119-E121 VanDerWaalsContact O-N 3.16Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 2.84Å; E121-R124 PolarHBondContact O-N 3.46Å; E121-L125 PolarHBondContact O-N 3.16Å
122	E	72.5	Confident	68.8	Low	89 Å²	89	90.4 Å²	90.4	42%	0.416	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-41.2	173.1	-84.2	171.1	89	0	0	111.9	I118 T119 R124 L125 L126	I118-E122 HydrophobicContact CG1-CB 3.94Å; T119-E122 PolarHBondContact N-OE2 3.46Å; T119-E122 PolarHBondContact O-N 2.99Å; T119-E122 PolarHBondContact OG1-OE2 2.81Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 2.64Å; E122-L125 PolarHBondContact O-N 3.42Å; E122-L126 WeakPolarHBondContact O-CB 3.42Å; E122-L126 VanDerWaalsContact O-CG 3.3Å; E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 2.88Å
123	V	71.3	Confident	69	Low	1 Å²	1	93.3 Å²	93.3	1%	0.006	46%	0.461	C	S	.	.	H	α-helix	trans	-60.4	-43.2	175.9	168.7	0	0	0	0	110.7	I107 A108 I118 T119 E121 L126 L127	I107-V123 HydrophobicContact CB-CG1 3.84Å; I107-V123 HydrophobicContact CG2-CG1 3.61Å; I107-V123 HydrophobicContact CG2-CG2 4.07Å; A108-V123 HydrophobicContact CB-CB 4.42Å; A108-V123 HydrophobicContact CB-CG1 4.43Å; A108-V123 HydrophobicContact CB-CG2 4.3Å; I118-V123 HydrophobicContact CB-CG2 4.46Å; I118-V123 HydrophobicContact CD1-CG2 4.37Å; I118-V123 HydrophobicContact CG1-CG2 4.26Å; I118-V123 HydrophobicContact CG2-CG2 3.49Å; I118-V123 VanDerWaalsContact CG2-CG2 3.49Å; T119-V123 PolarHBondContact O-N 3.04Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 2.84Å; V123-L126 PolarHBondContact O-N 3.22Å; V123-L127 HydrophobicContact CG1-CD1 3.7Å; V123-L127 VanDerWaalsContact O-CB 3.28Å; V123-L127 WeakPolarHBondContact O-CB 3.43Å; V123-L127 WeakPolarHBondContact O-CD1 3.46Å; V123-L127 PolarHBondContact O-N 3.23Å
124	R	74.9	Confident	69.2	Low	171 Å²	171	92.6 Å²	92.6	65%	0.645	47%	0.466	S	S	*	.	H	α-helix	trans	-62.9	-41.9	175.3	-78.3	177.7	131.4	178	-2.9	113.1	K120 E121 E122 L127 D128	K120-R124 WeakPolarHBondContact O-CG 3.13Å; K120-R124 PolarHBondContact O-N 3.41Å; K120-R124 VanDerWaalsContact O-N 3.11Å; E121-R124 PolarHBondContact O-N 3.46Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 2.64Å; R124-L127 WeakPolarHBondContact O-CB 3.27Å; R124-L127 PolarHBondContact O-N 2.98Å; R124-D128 PolarHBondContact O-N 3.12Å
125	L	76.6	Confident	69.6	Low	120 Å²	120	93.3 Å²	93.3	63%	0.628	47%	0.471	S	S	*	.	H	α-helix	trans	-65.4	-43	176.3	-89	160.6	0	0	0	112	E121 E122 L127 D128 T129	E121-L125 PolarHBondContact O-N 3.16Å; E122-L125 PolarHBondContact O-N 3.42Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-D128 PolarHBondContact O-N 2.83Å; L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 2.94Å
126	L	69.9	Low	70.1	Confident	35 Å²	35	97.5 Å²	97.5	18%	0.183	49%	0.491	C	S	.	.	H	α-helix	trans	-65.7	-40.2	175.8	-74.2	165.1	0	0	0	111	I118 E122 V123 T129 V130 L146	I118-L126 HydrophobicContact CD1-CD1 3.55Å; I118-L126 HydrophobicContact CG1-CD1 4.36Å; E122-L126 WeakPolarHBondContact O-CB 3.42Å; E122-L126 VanDerWaalsContact O-CG 3.3Å; E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 2.88Å; V123-L126 PolarHBondContact O-N 3.22Å; L126-T129 PolarHBondContact O-N 3.43Å; L126-V130 WeakPolarHBondContact O-CB 3.32Å; L126-V130 WeakPolarHBondContact O-CG2 3.28Å; L126-V130 PolarHBondContact O-N 3.43Å; L126-L146 HydrophobicContact CB-CD1 3.66Å; L126-L146 HydrophobicContact CB-CD2 4.46Å; L126-L146 HydrophobicContact CB-CG 3.92Å; L126-L146 HydrophobicContact CD1-CD2 4.32Å
127	L	73.3	Confident	71	Confident	12 Å²	12	92 Å²	92	6%	0.063	46%	0.463	C	S	.	.	H	α-helix	trans	-55.4	-52.7	171.2	-99.4	143.1	0	0	0	111.1	P104 I107 V123 R124 L125 T129 V130 K131 L138	P104-L127 HydrophobicContact CB-CD1 3.66Å; I107-L127 HydrophobicContact CD1-CD1 4.44Å; V123-L127 HydrophobicContact CG1-CD1 3.7Å; V123-L127 VanDerWaalsContact O-CB 3.28Å; V123-L127 WeakPolarHBondContact O-CB 3.43Å; V123-L127 WeakPolarHBondContact O-CD1 3.46Å; V123-L127 PolarHBondContact O-N 3.23Å; R124-L127 WeakPolarHBondContact O-CB 3.27Å; R124-L127 PolarHBondContact O-N 2.98Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L127-T129 PolarHBondContact O-N 3.13Å; L127-V130 PolarHBondContact O-N 2.91Å; L127-K131 HydrophobicContact CD2-CD 3.85Å; L127-K131 HydrophobicContact CD2-CG 4.3Å; L127-K131 WeakPolarHBondContact O-CB 3.27Å; L127-K131 WeakPolarHBondContact O-CG 3.43Å; L127-K131 PolarHBondContact O-N 3.5Å; L127-L138 HydrophobicContact CD1-CD1 4.35Å; L127-L138 HydrophobicContact CD2-CB 4.49Å; L127-L138 HydrophobicContact CD2-CD1 3.52Å; L127-L138 HydrophobicContact CD2-CD2 4.46Å; L127-L138 HydrophobicContact CD2-CG 3.51Å; L127-L138 HydrophobicContact CG-CD1 3.52Å; L127-L138 HydrophobicContact CG-CG 4.1Å
128	D	77.3	Confident	71.9	Confident	139 Å²	139	83.5 Å²	83.5	74%	0.743	43%	0.426	S	S	*	.	H	α-helix	trans	-62.6	-29	-178.9	-157.1	-103.5	0	0	0	112.6	R124 L125	R124-D128 PolarHBondContact O-N 3.12Å; L125-D128 PolarHBondContact O-N 2.83Å
129	T	74.6	Confident	72.7	Confident	93 Å²	93	85 Å²	85	57%	0.571	43%	0.434	S	S	*	.	H	α-helix	trans	-81	-33.4	179.7	-51.9	0	0	0	0	112.7	L125 L126 L127	L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 2.94Å; L126-T129 PolarHBondContact O-N 3.43Å; L127-T129 PolarHBondContact O-N 3.13Å
130	V	73.4	Confident	72.9	Confident	14 Å²	14	83.2 Å²	83.2	9%	0.085	43%	0.425	C	S	.	.	H	α-helix	trans	-99.5	-26.8	-171.2	-172.5	0	0	0	0	111.5	L126 L127 T132 E142 A145 L146	L126-V130 WeakPolarHBondContact O-CB 3.32Å; L126-V130 WeakPolarHBondContact O-CG2 3.28Å; L126-V130 PolarHBondContact O-N 3.43Å; L127-V130 PolarHBondContact O-N 2.91Å; V130-T132 PolarHBondContact O-N 3.16Å; V130-E142 HydrophobicContact CG1-CB 4.29Å; V130-E142 WeakPolarHBondContact CG1-O 3.29Å; V130-A145 HydrophobicContact CG1-CB 3.47Å; V130-A145 VanDerWaalsContact CG1-CB 3.47Å; V130-L146 HydrophobicContact CB-CB 4.32Å; V130-L146 HydrophobicContact CG1-CB 4.15Å; V130-L146 HydrophobicContact CG2-CB 3.87Å; V130-L146 HydrophobicContact CG2-CD1 4.41Å; V130-L146 HydrophobicContact CG2-CG 4.17Å
131	K	69.8	Low	73.1	Confident	38 Å²	38	87.1 Å²	87.1	17%	0.165	44%	0.444	C	S	.	.			trans	-64.4	130	175.6	-89.5	-172.9	160.5	169.7	0	111.9	L127 D135 Q136 T137 L138 E142	L127-K131 HydrophobicContact CD2-CD 3.85Å; L127-K131 HydrophobicContact CD2-CG 4.3Å; L127-K131 WeakPolarHBondContact O-CB 3.27Å; L127-K131 WeakPolarHBondContact O-CG 3.43Å; L127-K131 PolarHBondContact O-N 3.5Å; K131-D135 WeakPolarHBondContact CE-O 3.49Å; K131-D135 VanDerWaalsContact NZ-C 3.32Å; K131-D135 PolarHBondContact NZ-O 3.36Å; K131-Q136 PolarHBondContact NZ-O 3.49Å; K131-T137 VanDerWaalsContact CE-C 3.45Å; K131-T137 WeakPolarHBondContact CE-O 3.27Å; K131-T137 PolarHBondContact NZ-O 2.88Å; K131-L138 HydrophobicContact CG-CD2 4.27Å; K131-E142 VanDerWaalsContact CA-OE1 3.27Å; K131-E142 WeakPolarHBondContact CA-OE1 3.45Å
132	T	66.5	Low	73.3	Confident	134 Å²	134	80.5 Å²	80.5	82%	0.822	41%	0.413	S	S	*	.			trans	-105.5	-16.3	173.8	-30.4	0	0	0	0	111.5	V130 E142	V130-T132 PolarHBondContact O-N 3.16Å; T132-E142 PolarHBondContact N-OE1 3.46Å
133	D	69.5	Low	73.4	Confident	116 Å²	116	76.2 Å²	76.2	62%	0.62	39%	0.393	S	S	*	.	S	Bend	trans	-114	162.4	178.5	-152.5	-83.3	0	0	0	112.3	D135	D133-D135 PolarHBondContact O-N 2.88Å
134	D	69.6	Low	73.5	Confident	163 Å²	163	76.8 Å²	76.8	87%	0.872	40%	0.4	S	S	*	.	S	Bend	trans	-83.9	11.7	-176.9	-159.4	-114.7	0	0	0	112.1
135	D	68.8	Low	73.4	Confident	82 Å²	82	70.6 Å²	70.6	44%	0.439	39%	0.385	S	S	.	.			trans	-68.1	155.1	175.3	-158.6	-84.2	0	0	0	110.7	K131 D133 T137	K131-D135 WeakPolarHBondContact CE-O 3.49Å; K131-D135 VanDerWaalsContact NZ-C 3.32Å; K131-D135 PolarHBondContact NZ-O 3.36Å; D133-D135 PolarHBondContact O-N 2.88Å; D135-T137 WeakPolarHBondContact OD1-CB 3.4Å; D135-T137 PolarHBondContact OD1-N 3.33Å; D135-T137 PolarHBondContact OD1-OG1 2.82Å
136	Q	70.8	Confident	73.3	Confident	165 Å²	165	65 Å²	65	77%	0.771	36%	0.355	S	S	*	.	S	Bend	trans	-89	-3.1	176.2	-69.1	-164.1	-85.8	0	0	113.5	P104 K131	P104-Q136 VanDerWaalsContact CD-O 3.25Å; P104-Q136 WeakPolarHBondContact CD-O 3.43Å; K131-Q136 PolarHBondContact NZ-O 3.49Å
137	T	75.8	Confident	73.3	Confident	24 Å²	24	64.2 Å²	64.2	15%	0.147	35%	0.351	C	S	.	.	S	Bend	trans	-117.3	152.1	178.7	65.2	0	0	0	0	113.6	H101 L102 D103 K131 D135	H101-T137 VanDerWaalsContact CB-CB 3.44Å; H101-T137 HydrophobicContact CB-CG2 4.21Å; H101-T137 WeakPolarHBondContact CB-OG1 3.03Å; L102-T137 CarbonylContact O-C 3.57Å; L102-T137 WeakPolarHBondContact O-CA 3.45Å; D103-T137 HydrophobicContact CB-CG2 4.18Å; K131-T137 VanDerWaalsContact CE-C 3.45Å; K131-T137 WeakPolarHBondContact CE-O 3.27Å; K131-T137 PolarHBondContact NZ-O 2.88Å; D135-T137 WeakPolarHBondContact OD1-CB 3.4Å; D135-T137 PolarHBondContact OD1-N 3.33Å; D135-T137 PolarHBondContact OD1-OG1 2.82Å
138	L	77.6	Confident	73	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.2	179.4	-96.3	162.4	0	0	0	110.5	F91 H101 L102 I107 L127 K131 E142 L146	F91-L138 VanDerWaalsContact CE2-O 3.27Å; F91-L138 WeakPolarHBondContact CE2-O 3.36Å; F91-L138 VanDerWaalsContact CZ-O 3.24Å; F91-L138 WeakPolarHBondContact CZ-O 3.48Å; H101-L138 CarbonylContact C-O 3.51Å; H101-L138 WeakPolarHBondContact CA-O 3.32Å; L102-L138 HydrophobicContact CB-CB 4.12Å; L102-L138 PolarHBondContact N-O 2.71Å; L102-L138 PolarHBondContact O-N 2.97Å; I107-L138 HydrophobicContact CD1-CB 4.06Å; I107-L138 HydrophobicContact CD1-CD1 3.22Å; I107-L138 HydrophobicContact CD1-CG 4.18Å; L127-L138 HydrophobicContact CD1-CD1 4.35Å; L127-L138 HydrophobicContact CD2-CB 4.49Å; L127-L138 HydrophobicContact CD2-CD1 3.52Å; L127-L138 HydrophobicContact CD2-CD2 4.46Å; L127-L138 HydrophobicContact CD2-CG 3.51Å; L127-L138 HydrophobicContact CG-CD1 3.52Å; L127-L138 HydrophobicContact CG-CG 4.1Å; K131-L138 HydrophobicContact CG-CD2 4.27Å; L138-E142 HydrophobicContact CD2-CB 3.12Å; L138-E142 HydrophobicContact CD2-CG 4.22Å; L138-E142 WeakPolarHBondContact CD2-OE2 3.31Å; L138-E142 HydrophobicContact CG-CB 4.45Å; L138-L146 HydrophobicContact CD1-CD1 3.65Å
139	D	78.5	Confident	72.4	Confident	60 Å²	60	72.4 Å²	72.4	32%	0.321	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	168.4	172.2	-14.5	-76.3	0	0	0	111.8	F91 H101 E141 E142 F143	F91-D139 WeakPolarHBondContact CE2-O 3.15Å; H101-D139 IonicContact CD2-OD1 2.75Å; H101-D139 PolarHBondContact CD2-OD1 3.15Å; D139-E141 VanDerWaalsContact C-N 3.27Å; D139-E141 PolarHBondContact O-N 3.46Å; D139-E142 PolarHBondContact N-OE2 3.43Å; D139-E142 PolarHBondContact O-N 2.73Å; D139-E142 VanDerWaalsContact OD2-CD 3.22Å; D139-E142 WeakPolarHBondContact OD2-CG 3.41Å; D139-F143 WeakPolarHBondContact O-CB 3.15Å; D139-F143 PolarHBondContact O-N 2.65Å
140	C	74.1	Confident	71.6	Confident	42 Å²	42	69.7 Å²	69.7	28%	0.284	37%	0.366	S	S	.	.	H	α-helix	trans	-51	-42.2	177.2	-98.9	0	0	0	0	113.9	V87 F91 G144	V87-C140 WeakPolarHBondContact CG1-O 3.21Å; F91-C140 WeakPolarHBondContact CD1-SG 3.22Å; F91-C140 HydrophobicContact CD2-CB 4.34Å; F91-C140 HydrophobicContact CE2-CB 4.44Å; F91-C140 VanDerWaalsContact CE2-N 3.28Å; F91-C140 HydrophobicContact CG-CB 4.46Å; F91-C140 WeakPolarHBondContact CG-SG 3.18Å; C140-G144 PolarHBondContact O-N 3.36Å; C140-G144 VanDerWaalsContact O-N 3.09Å
141	E	75.4	Confident	70.8	Confident	177 Å²	177	73.7 Å²	73.7	83%	0.827	38%	0.382	S	S	*	.	H	α-helix	trans	-68.2	-46.6	180	-88	178.3	67.9	0	0	111.7	D139 G144 A145	D139-E141 VanDerWaalsContact C-N 3.27Å; D139-E141 PolarHBondContact O-N 3.46Å; E141-G144 WeakPolarHBondContact O-CA 3.4Å; E141-G144 PolarHBondContact O-N 2.95Å; E141-G144 VanDerWaalsContact O-N 3.12Å; E141-A145 PolarHBondContact O-N 2.96Å
142	E	78.9	Confident	69.9	Low	15 Å²	15	76.2 Å²	76.2	7%	0.07	40%	0.404	C	S	.	.	H	α-helix	trans	-66.4	-40.4	179	-58.7	-175.6	125.4	0	0	111.1	V130 K131 T132 L138 D139 G144 A145 L146	V130-E142 HydrophobicContact CG1-CB 4.29Å; V130-E142 WeakPolarHBondContact CG1-O 3.29Å; K131-E142 VanDerWaalsContact CA-OE1 3.27Å; K131-E142 WeakPolarHBondContact CA-OE1 3.45Å; T132-E142 PolarHBondContact N-OE1 3.46Å; L138-E142 HydrophobicContact CD2-CB 3.12Å; L138-E142 HydrophobicContact CD2-CG 4.22Å; L138-E142 WeakPolarHBondContact CD2-OE2 3.31Å; L138-E142 HydrophobicContact CG-CB 4.45Å; D139-E142 PolarHBondContact N-OE2 3.43Å; D139-E142 PolarHBondContact O-N 2.73Å; D139-E142 VanDerWaalsContact OD2-CD 3.22Å; D139-E142 WeakPolarHBondContact OD2-CG 3.41Å; E142-G144 PolarHBondContact O-N 2.86Å; E142-A145 CarbonylContact O-C 3.33Å; E142-A145 WeakPolarHBondContact O-CB 3.49Å; E142-A145 PolarHBondContact O-N 3.19Å; E142-A145 VanDerWaalsContact O-N 3.13Å; E142-L146 WeakPolarHBondContact O-CB 3.04Å; E142-L146 PolarHBondContact O-N 3Å
143	F	74.3	Confident	68.7	Low	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-33.6	173.5	-177.1	-108.2	0	0	0	111.8	V87 L90 F91 V94 L102 I107 M111 D139 L146 L147	V87-F143 HydrophobicContact CG1-CB 4.48Å; V87-F143 HydrophobicContact CG1-CD1 3.64Å; V87-F143 HydrophobicContact CG1-CE1 4.41Å; V87-F143 HydrophobicContact CG1-CG 4.49Å; L90-F143 HydrophobicContact CB-CE1 3.73Å; L90-F143 HydrophobicContact CB-CZ 4.22Å; F91-F143 HydrophobicContact CB-CD1 3.98Å; F91-F143 HydrophobicContact CB-CE1 4.31Å; F91-F143 HydrophobicContact CD2-CB 3.5Å; F91-F143 VanDerWaalsContact CD2-CB 3.5Å; F91-F143 AromaticContact CD2-CD1 3.67Å; F91-F143 HydrophobicContact CD2-CD1 3.67Å; F91-F143 AromaticContact CD2-CG 3.68Å; F91-F143 HydrophobicContact CD2-CG 3.68Å; F91-F143 HydrophobicContact CE2-CB 3.77Å; F91-F143 HydrophobicContact CE2-CG 4.3Å; F91-F143 HydrophobicContact CG-CD1 4.34Å; V94-F143 HydrophobicContact CG2-CZ 4.09Å; L102-F143 HydrophobicContact CD1-CB 4.38Å; L102-F143 HydrophobicContact CD1-CD1 4.32Å; L102-F143 HydrophobicContact CD1-CD2 3.64Å; L102-F143 HydrophobicContact CD1-CE2 3.92Å; L102-F143 HydrophobicContact CD1-CG 3.87Å; L102-F143 HydrophobicContact CD1-CZ 4.38Å; I107-F143 HydrophobicContact CD1-CD2 4.46Å; I107-F143 HydrophobicContact CG2-CE2 4.47Å; M111-F143 HydrophobicContact CE-CE2 3.81Å; M111-F143 HydrophobicContact CE-CZ 3.86Å; M111-F143 HydrophobicContact SD-CE2 4.42Å; D139-F143 WeakPolarHBondContact O-CB 3.15Å; D139-F143 PolarHBondContact O-N 2.65Å; F143-L146 WeakPolarHBondContact O-CB 3.01Å; F143-L146 PolarHBondContact O-N 2.74Å; F143-L147 HydrophobicContact CD1-CD1 3.83Å; F143-L147 HydrophobicContact CE1-CD1 3.39Å; F143-L147 HydrophobicContact CE1-CG 4.2Å; F143-L147 HydrophobicContact CZ-CD1 3.89Å; F143-L147 HydrophobicContact CZ-CG 4.28Å; F143-L147 PolarHBondContact O-N 2.89Å
144	G	73.4	Confident	67.3	Low	13 Å²	13	75.7 Å²	75.7	13%	0.134	40%	0.402	C	S	.	.	H	α-helix	trans	-67.8	-41.9	173.2	0	0	0	0	0	113.2	V87 C140 E141 E142 L146 L147 R148	V87-G144 VanDerWaalsContact CG2-CA 3.49Å; C140-G144 PolarHBondContact O-N 3.36Å; C140-G144 VanDerWaalsContact O-N 3.09Å; E141-G144 WeakPolarHBondContact O-CA 3.4Å; E141-G144 PolarHBondContact O-N 2.95Å; E141-G144 VanDerWaalsContact O-N 3.12Å; E142-G144 PolarHBondContact O-N 2.86Å; G144-L146 VanDerWaalsContact C-N 3.29Å; G144-L146 PolarHBondContact O-N 2.92Å; G144-L147 PolarHBondContact O-N 2.76Å; G144-R148 WeakPolarHBondContact O-CB 3.31Å; G144-R148 PolarHBondContact O-N 3.13Å
145	A	73.4	Confident	65.6	Low	40 Å²	40	77.6 Å²	77.6	33%	0.331	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-38.2	171.6	0	0	0	0	0	111.3	V130 E141 E142 R148 F149	V130-A145 HydrophobicContact CG1-CB 3.47Å; V130-A145 VanDerWaalsContact CG1-CB 3.47Å; E141-A145 PolarHBondContact O-N 2.96Å; E142-A145 CarbonylContact O-C 3.33Å; E142-A145 WeakPolarHBondContact O-CB 3.49Å; E142-A145 PolarHBondContact O-N 3.19Å; E142-A145 VanDerWaalsContact O-N 3.13Å; A145-R148 CarbonylContact O-C 3.57Å; A145-R148 WeakPolarHBondContact O-CB 3.36Å; A145-R148 PolarHBondContact O-N 3.33Å; A145-F149 WeakPolarHBondContact O-CB 3.33Å; A145-F149 PolarHBondContact O-N 2.8Å
146	L	73.5	Confident	63.9	Low	3 Å²	3	86 Å²	86	2%	0.016	44%	0.435	C	S	.	.	H	α-helix	trans	-65.4	-46.7	178	-172.1	150.5	0	0	0	111.2	M111 L126 V130 L138 E142 F143 G144 R148 F149 G150	M111-L146 HydrophobicContact CE-CD2 4.25Å; M111-L146 HydrophobicContact SD-CD2 4.21Å; L126-L146 HydrophobicContact CB-CD1 3.66Å; L126-L146 HydrophobicContact CB-CD2 4.46Å; L126-L146 HydrophobicContact CB-CG 3.92Å; L126-L146 HydrophobicContact CD1-CD2 4.32Å; V130-L146 HydrophobicContact CB-CB 4.32Å; V130-L146 HydrophobicContact CG1-CB 4.15Å; V130-L146 HydrophobicContact CG2-CB 3.87Å; V130-L146 HydrophobicContact CG2-CD1 4.41Å; V130-L146 HydrophobicContact CG2-CG 4.17Å; L138-L146 HydrophobicContact CD1-CD1 3.65Å; E142-L146 WeakPolarHBondContact O-CB 3.04Å; E142-L146 PolarHBondContact O-N 3Å; F143-L146 WeakPolarHBondContact O-CB 3.01Å; F143-L146 PolarHBondContact O-N 2.74Å; G144-L146 VanDerWaalsContact C-N 3.29Å; G144-L146 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact C-N 3.31Å; L146-R148 PolarHBondContact O-N 2.77Å; L146-F149 PolarHBondContact O-N 3.32Å; L146-G150 PolarHBondContact O-N 3.03Å
147	L	70.1	Confident	63.6	Low	19 Å²	19	82.1 Å²	82.1	10%	0.099	42%	0.418	C	S	.	.	H	α-helix	trans	-59.7	-43.1	172.4	-80.2	167.7	0	0	0	110.9	V87 L90 M111 F115 F143 G144 F151	V87-L147 HydrophobicContact CB-CD1 4.18Å; V87-L147 HydrophobicContact CG1-CD1 4.26Å; V87-L147 HydrophobicContact CG2-CB 4.49Å; V87-L147 HydrophobicContact CG2-CD1 3.82Å; L90-L147 HydrophobicContact CD1-CD1 3.94Å; L90-L147 HydrophobicContact CD1-CD2 4.44Å; M111-L147 HydrophobicContact CE-CD2 3.44Å; M111-L147 VanDerWaalsContact CE-CD2 3.44Å; M111-L147 HydrophobicContact CE-CG 4.07Å; F115-L147 HydrophobicContact CE2-CD2 4.4Å; F143-L147 HydrophobicContact CD1-CD1 3.83Å; F143-L147 HydrophobicContact CE1-CD1 3.39Å; F143-L147 HydrophobicContact CE1-CG 4.2Å; F143-L147 HydrophobicContact CZ-CD1 3.89Å; F143-L147 HydrophobicContact CZ-CG 4.28Å; F143-L147 PolarHBondContact O-N 2.89Å; G144-L147 PolarHBondContact O-N 2.76Å; L147-F151 HydrophobicContact CD2-CD2 3.97Å; L147-F151 HydrophobicContact CD2-CE2 3.84Å; L147-F151 VanDerWaalsContact O-CB 3.24Å; L147-F151 WeakPolarHBondContact O-CB 3.09Å; L147-F151 WeakPolarHBondContact O-CD2 3.38Å; L147-F151 PolarHBondContact O-N 3.14Å
148	R	67.2	Low	62.9	Low	187 Å²	187	85.1 Å²	85.1	71%	0.706	43%	0.433	S	S	*	.	H	α-helix	trans	-62.1	-44.6	175.8	-106.5	-178.2	177.9	-145.6	1.8	112.5	G144 A145 L146 S152	G144-R148 WeakPolarHBondContact O-CB 3.31Å; G144-R148 PolarHBondContact O-N 3.13Å; A145-R148 CarbonylContact O-C 3.57Å; A145-R148 WeakPolarHBondContact O-CB 3.36Å; A145-R148 PolarHBondContact O-N 3.33Å; L146-R148 VanDerWaalsContact C-N 3.31Å; L146-R148 PolarHBondContact O-N 2.77Å; R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 3.32Å
149	F	64.6	Low	62.1	Low	136 Å²	136	89.8 Å²	89.8	60%	0.596	46%	0.457	S	S	*	.	H	α-helix	trans	-70.8	-48.7	-177.8	-121.4	-88.5	0	0	0	111.4	A145 L146 F151 S152	A145-F149 WeakPolarHBondContact O-CB 3.33Å; A145-F149 PolarHBondContact O-N 2.8Å; L146-F149 PolarHBondContact O-N 3.32Å; F149-F151 PolarHBondContact O-N 2.97Å; F149-S152 PolarHBondContact O-N 2.87Å
150	G	57.9	Low	61.1	Low	36 Å²	36	91.6 Å²	91.6	37%	0.371	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-34.1	-179.5	0	0	0	0	0	113.7	L146	L146-G150 PolarHBondContact O-N 3.03Å
151	F	56.7	Low	60.3	Low	98 Å²	98	94.7 Å²	94.7	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-88.3	-22.6	177.2	-81.2	-88.4	0	0	0	114.6	F115 L147 F149 E153 A154	F115-F151 HydrophobicContact CD1-CE1 4.16Å; F115-F151 HydrophobicContact CD1-CE2 4.41Å; F115-F151 AromaticContact CD1-CZ 3.45Å; F115-F151 HydrophobicContact CD1-CZ 3.45Å; F115-F151 VanDerWaalsContact CD1-CZ 3.45Å; F115-F151 HydrophobicContact CD2-CE2 4.35Å; F115-F151 HydrophobicContact CD2-CZ 4.14Å; F115-F151 AromaticContact CE1-CE1 3.65Å; F115-F151 HydrophobicContact CE1-CE1 3.65Å; F115-F151 AromaticContact CE1-CE2 3.96Å; F115-F151 HydrophobicContact CE1-CE2 3.96Å; F115-F151 AromaticContact CE1-CZ 3.06Å; F115-F151 HydrophobicContact CE1-CZ 3.06Å; F115-F151 AromaticContact CE2-CE2 3.87Å; F115-F151 HydrophobicContact CE2-CE2 3.87Å; F115-F151 AromaticContact CE2-CZ 3.79Å; F115-F151 HydrophobicContact CE2-CZ 3.79Å; F115-F151 AromaticContact CG-CZ 3.97Å; F115-F151 HydrophobicContact CG-CZ 3.97Å; F115-F151 HydrophobicContact CZ-CE1 4.08Å; F115-F151 AromaticContact CZ-CE2 3.65Å; F115-F151 HydrophobicContact CZ-CE2 3.65Å; F115-F151 AromaticContact CZ-CZ 3.24Å; F115-F151 HydrophobicContact CZ-CZ 3.24Å; L147-F151 HydrophobicContact CD2-CD2 3.97Å; L147-F151 HydrophobicContact CD2-CE2 3.84Å; L147-F151 VanDerWaalsContact O-CB 3.24Å; L147-F151 WeakPolarHBondContact O-CB 3.09Å; L147-F151 WeakPolarHBondContact O-CD2 3.38Å; L147-F151 PolarHBondContact O-N 3.14Å; F149-F151 PolarHBondContact O-N 2.97Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 2.68Å; F151-A154 PolarHBondContact O-N 3.21Å
152	S	51.6	Low	59.3	Low	91 Å²	91	89.2 Å²	89.2	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-67.1	-31.3	178.4	-173.5	0	0	0	0	112	R148 F149 A154	R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 3.32Å; F149-S152 PolarHBondContact O-N 2.87Å; S152-A154 VanDerWaalsContact C-N 3.3Å; S152-A154 PolarHBondContact O-N 2.65Å
153	E	41.5	Very low	57.9	Low	161 Å²	161	94.5 Å²	94.5	75%	0.752	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-70.4	-23.1	174	-78	-112.7	97.1	0	0	113.3	F151 K155	F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 2.68Å; E153-K155 VanDerWaalsContact C-N 3.27Å; E153-K155 PolarHBondContact O-N 3.3Å
154	A	39.9	Very low	56.7	Low	78 Å²	78	101.8 Å²	101.8	65%	0.645	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-79.2	-2.6	-179.1	0	0	0	0	0	114.6	F151 S152	F151-A154 PolarHBondContact O-N 3.21Å; S152-A154 VanDerWaalsContact C-N 3.3Å; S152-A154 PolarHBondContact O-N 2.65Å
155	K	34.6	Very low	55.3	Low	202 Å²	202	109.2 Å²	109.2	88%	0.878	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-107.9	13.8	-179	-104.3	-167.1	-178.4	178	0	115.4	E153	E153-K155 VanDerWaalsContact C-N 3.27Å; E153-K155 PolarHBondContact O-N 3.3Å
156	K	32.5	Very low	53.6	Low	259 Å²	259	115.5 Å²	115.5	100%	1.126	57%	0.569	S	S	*	*			trans	-101	0	172.6	-118.8	-178.7	-178.2	-177.7	0	111.9

Retrieved 156 of 156 residues in 118 ms (Link to these results)

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