A0A3Q0KMS2_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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	49.3	Very low	49.3	Very low	186 Å²	186	111.5 Å²	111.5	92%	0.916	56%	0.564	S	S	*	*				0	-72.6	0	-79.7	-174.4	69.6	0	0	113.2
2	I	51.3	Low	50.1	Low	136 Å²	136	109.1 Å²	109.1	70%	0.697	56%	0.559	S	S	*	*	H	α-helix	trans	-69.3	-41.3	-177	-64.7	170.5	0	0	0	112.2	Q4 L6	I2-Q4 PolarHBondContact O-N 3.08Å; I2-L6 HydrophobicContact CG2-CD1 3.68Å; I2-L6 HydrophobicContact CG2-CG 4.32Å; I2-L6 WeakPolarHBondContact O-CB 3.46Å; I2-L6 WeakPolarHBondContact O-CD1 3.06Å; I2-L6 VanDerWaalsContact O-CG 3.23Å; I2-L6 WeakPolarHBondContact O-CG 3.42Å; I2-L6 PolarHBondContact O-N 3.19Å
3	Y	42.8	Very low	50.1	Low	188 Å²	188	107.5 Å²	107.5	74%	0.737	55%	0.553	S	S	*	*	H	α-helix	trans	-66.4	-37.1	-175.7	-132.1	-95.6	0	0	0	113.9	L6 I7	Y3-L6 PolarHBondContact O-N 3.07Å; Y3-I7 HydrophobicContact CD1-CD1 4.2Å; Y3-I7 VanDerWaalsContact O-CG1 3.29Å; Y3-I7 WeakPolarHBondContact O-CG1 3.03Å; Y3-I7 PolarHBondContact O-N 3.24Å; Y3-I7 VanDerWaalsContact O-N 3.08Å
4	Q	45.3	Very low	50.3	Low	91 Å²	91	105.8 Å²	105.8	43%	0.425	55%	0.549	S	S	.	.	H	α-helix	trans	-77.3	-38.2	-177.2	-70.7	164.1	-54.3	0	0	112.6	I2 L6 I7 L8	I2-Q4 PolarHBondContact O-N 3.08Å; Q4-L6 VanDerWaalsContact C-N 3.3Å; Q4-I7 PolarHBondContact O-N 2.96Å; Q4-L8 PolarHBondContact O-N 3.37Å; Q4-L8 VanDerWaalsContact O-N 3.13Å
5	L	47.2	Very low	50.1	Low	126 Å²	126	106.7 Å²	106.7	66%	0.66	55%	0.554	S	S	*	*	H	α-helix	trans	-66.7	-33.9	171.4	-79.9	164.5	0	0	0	111.6	S9	L5-S9 WeakPolarHBondContact O-CB 3.23Å; L5-S9 PolarHBondContact O-N 3.17Å
6	L	47.8	Very low	49.9	Very low	88 Å²	88	106.4 Å²	106.4	46%	0.461	56%	0.559	S	S	.	*	H	α-helix	trans	-63.5	-42.9	171.4	-77.8	168.1	0	0	0	111.5	I2 Y3 Q4 S9 L10	I2-L6 HydrophobicContact CG2-CD1 3.68Å; I2-L6 HydrophobicContact CG2-CG 4.32Å; I2-L6 WeakPolarHBondContact O-CB 3.46Å; I2-L6 WeakPolarHBondContact O-CD1 3.06Å; I2-L6 VanDerWaalsContact O-CG 3.23Å; I2-L6 WeakPolarHBondContact O-CG 3.42Å; I2-L6 PolarHBondContact O-N 3.19Å; Y3-L6 PolarHBondContact O-N 3.07Å; Q4-L6 VanDerWaalsContact C-N 3.3Å; L6-S9 PolarHBondContact O-N 3.39Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 WeakPolarHBondContact O-CD1 3.49Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.06Å
7	I	55	Low	49.4	Very low	87 Å²	87	102.9 Å²	102.9	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-46.8	179.7	-65.7	161.2	0	0	0	111.4	Y3 Q4 S9 L10 V11	Y3-I7 HydrophobicContact CD1-CD1 4.2Å; Y3-I7 VanDerWaalsContact O-CG1 3.29Å; Y3-I7 WeakPolarHBondContact O-CG1 3.03Å; Y3-I7 PolarHBondContact O-N 3.24Å; Y3-I7 VanDerWaalsContact O-N 3.08Å; Q4-I7 PolarHBondContact O-N 2.96Å; I7-S9 PolarHBondContact O-N 3Å; I7-L10 PolarHBondContact O-N 2.81Å; I7-V11 HydrophobicContact CG2-CG2 4.34Å; I7-V11 VanDerWaalsContact O-CG2 3.3Å; I7-V11 WeakPolarHBondContact O-CG2 3.38Å; I7-V11 PolarHBondContact O-N 3.4Å
8	L	50.3	Low	49.2	Very low	87 Å²	87	102 Å²	102	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-64.3	-41.4	177.9	-76.6	166.1	0	0	0	112.1	Q4 L10 V11 V12 V164	Q4-L8 PolarHBondContact O-N 3.37Å; Q4-L8 VanDerWaalsContact O-N 3.13Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-V11 PolarHBondContact O-N 2.04Å; L8-V12 WeakPolarHBondContact O-CG2 3.27Å; L8-V12 PolarHBondContact O-N 2.97Å; L8-V164 HydrophobicContact CD1-CG1 4.09Å
9	S	49.7	Very low	49.1	Very low	60 Å²	60	99.6 Å²	99.6	42%	0.42	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-40.8	172.8	179	0	0	0	0	111.6	L5 L6 I7 N13	L5-S9 WeakPolarHBondContact O-CB 3.23Å; L5-S9 PolarHBondContact O-N 3.17Å; L6-S9 PolarHBondContact O-N 3.39Å; I7-S9 PolarHBondContact O-N 3Å; S9-N13 WeakPolarHBondContact O-CB 3.18Å; S9-N13 PolarHBondContact O-N 2.8Å; S9-N13 PolarHBondContact O-ND2 3.26Å; S9-N13 PolarHBondContact OG-ND2 2.9Å; S9-N13 VanDerWaalsContact OG-ND2 3.16Å
10	L	50.8	Low	48.8	Very low	102 Å²	102	97.5 Å²	97.5	53%	0.534	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-41.9	176.4	-76.2	164.7	0	0	0	111.2	L6 I7 L8 N13 V14	L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 WeakPolarHBondContact O-CD1 3.49Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.06Å; I7-L10 PolarHBondContact O-N 2.81Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-N13 PolarHBondContact O-N 2.71Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.41Å
11	V	52.8	Low	48.6	Very low	75 Å²	75	100.9 Å²	100.9	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-67.3	-46.2	179	172.6	0	0	0	0	111	I7 L8 V14 L15	I7-V11 HydrophobicContact CG2-CG2 4.34Å; I7-V11 VanDerWaalsContact O-CG2 3.3Å; I7-V11 WeakPolarHBondContact O-CG2 3.38Å; I7-V11 PolarHBondContact O-N 3.4Å; L8-V11 PolarHBondContact O-N 2.04Å; V11-V14 PolarHBondContact O-N 3.23Å; V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.25Å; V11-L15 PolarHBondContact O-N 3.16Å
12	V	58.3	Low	48.5	Very low	83 Å²	83	97.5 Å²	97.5	50%	0.503	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-46.9	175.9	174.6	0	0	0	0	110.1	L8 V14 L15 T16	L8-V12 WeakPolarHBondContact O-CG2 3.27Å; L8-V12 PolarHBondContact O-N 2.97Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 PolarHBondContact O-N 3.5Å; V12-L15 PolarHBondContact O-N 3.04Å; V12-T16 HydrophobicContact CG1-CG2 4.21Å; V12-T16 WeakPolarHBondContact O-CB 3.42Å; V12-T16 WeakPolarHBondContact O-CG2 3.17Å; V12-T16 PolarHBondContact O-N 3.08Å; V12-T16 PolarHBondContact O-OG1 3.05Å
13	N	50.5	Low	48	Very low	89 Å²	89	99.7 Å²	99.7	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-64.7	-35.1	177.3	-73.9	-39.6	0	0	0	112.3	S9 L10 S17	S9-N13 WeakPolarHBondContact O-CB 3.18Å; S9-N13 PolarHBondContact O-N 2.8Å; S9-N13 PolarHBondContact O-ND2 3.26Å; S9-N13 PolarHBondContact OG-ND2 2.9Å; S9-N13 VanDerWaalsContact OG-ND2 3.16Å; L10-N13 PolarHBondContact O-N 2.71Å; N13-S17 VanDerWaalsContact O-CA 3.27Å; N13-S17 WeakPolarHBondContact O-CA 3.44Å; N13-S17 WeakPolarHBondContact O-CB 3.33Å; N13-S17 PolarHBondContact O-N 2.83Å; N13-S17 PolarHBondContact O-OG 3.37Å
14	V	52.9	Low	48	Very low	83 Å²	83	96.6 Å²	96.6	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-47.1	174.6	165.4	0	0	0	0	109.4	L10 V11 V12 T16 S17 V20	L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.41Å; V11-V14 PolarHBondContact O-N 3.23Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 PolarHBondContact O-N 3.5Å; V14-T16 PolarHBondContact O-N 3.34Å; V14-S17 PolarHBondContact O-OG 3.48Å; V14-V20 HydrophobicContact CG1-CG2 4.42Å; V14-V20 WeakPolarHBondContact O-CG2 3.36Å
15	L	48.1	Very low	48	Very low	120 Å²	120	98 Å²	98	63%	0.628	53%	0.532	S	S	*	.	H	α-helix	trans	-69.7	-31.7	-179.2	-67.8	171.6	0	0	0	113.6	V11 V12	V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.25Å; V11-L15 PolarHBondContact O-N 3.16Å; V12-L15 PolarHBondContact O-N 3.04Å
16	T	45.8	Very low	47.7	Very low	102 Å²	102	95 Å²	95	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-100.3	-12.7	-179.9	65.1	0	0	0	0	114.2	V12 V14	V12-T16 HydrophobicContact CG1-CG2 4.21Å; V12-T16 WeakPolarHBondContact O-CB 3.42Å; V12-T16 WeakPolarHBondContact O-CG2 3.17Å; V12-T16 PolarHBondContact O-N 3.08Å; V12-T16 PolarHBondContact O-OG1 3.05Å; V14-T16 PolarHBondContact O-N 3.34Å
17	S	42	Very low	47.5	Very low	47 Å²	47	98 Å²	98	33%	0.329	53%	0.526	S	S	.	.	S	Bend	trans	-66.7	143.8	175.7	65.8	0	0	0	0	109.1	N13 V14 A19 V20	N13-S17 VanDerWaalsContact O-CA 3.27Å; N13-S17 WeakPolarHBondContact O-CA 3.44Å; N13-S17 WeakPolarHBondContact O-CB 3.33Å; N13-S17 PolarHBondContact O-N 2.83Å; N13-S17 PolarHBondContact O-OG 3.37Å; V14-S17 PolarHBondContact O-OG 3.48Å; S17-A19 PolarHBondContact O-N 2.94Å; S17-V20 PolarHBondContact O-N 3.49Å
18	S	46.7	Very low	46.9	Very low	86 Å²	86	100.3 Å²	100.3	60%	0.601	54%	0.539	S	S	*	.	H	α-helix	trans	-48.6	-20.8	172.6	48.4	0	0	0	0	113.2	V20 K21 E22	S18-V20 PolarHBondContact O-N 2.96Å; S18-K21 CarbonylContact O-C 3.49Å; S18-K21 PolarHBondContact O-N 3.34Å; S18-E22 WeakPolarHBondContact O-CB 3.23Å; S18-E22 PolarHBondContact O-N 3.43Å
19	A	45.6	Very low	46.3	Very low	57 Å²	57	101.8 Å²	101.8	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-34	178.7	0	0	0	0	0	114.6	S17 Y23	S17-A19 PolarHBondContact O-N 2.94Å; A19-Y23 WeakPolarHBondContact O-CB 3.38Å; A19-Y23 PolarHBondContact O-N 2.83Å
20	V	44.3	Very low	45.5	Very low	57 Å²	57	107 Å²	107	35%	0.345	56%	0.56	S	S	.	*	H	α-helix	trans	-77.7	-35.6	174.3	173.9	0	0	0	0	110.7	V14 S17 S18 E22 Y23 I24	V14-V20 HydrophobicContact CG1-CG2 4.42Å; V14-V20 WeakPolarHBondContact O-CG2 3.36Å; S17-V20 PolarHBondContact O-N 3.49Å; S18-V20 PolarHBondContact O-N 2.96Å; V20-E22 PolarHBondContact O-N 2.84Å; V20-Y23 PolarHBondContact O-N 3.44Å; V20-I24 PolarHBondContact O-N 3.41Å; V20-I24 VanDerWaalsContact O-N 3.13Å
21	K	44.6	Very low	45.2	Very low	168 Å²	168	108.8 Å²	108.8	73%	0.73	57%	0.569	S	S	*	*	H	α-helix	trans	-67.9	-28	173.3	-147.3	165.5	-173	175.7	0	111.8	S18 N25	S18-K21 CarbonylContact O-C 3.49Å; S18-K21 PolarHBondContact O-N 3.34Å; K21-N25 PolarHBondContact O-N 2.81Å
22	E	46.5	Very low	44.6	Very low	115 Å²	115	111.6 Å²	111.6	54%	0.537	58%	0.582	S	S	.	*	H	α-helix	trans	-81	-32.6	173.9	-156.3	150.3	-148.6	0	0	110.6	S18 V20 I24 N25 H26	S18-E22 WeakPolarHBondContact O-CB 3.23Å; S18-E22 PolarHBondContact O-N 3.43Å; V20-E22 PolarHBondContact O-N 2.84Å; E22-I24 VanDerWaalsContact C-N 3.35Å; E22-I24 PolarHBondContact O-N 3.35Å; E22-N25 CarbonylContact O-C 3.3Å; E22-N25 VanDerWaalsContact O-C 3.3Å; E22-N25 WeakPolarHBondContact O-CA 3.39Å; E22-N25 PolarHBondContact O-N 3.37Å; E22-H26 WeakPolarHBondContact O-CA 3.1Å; E22-H26 VanDerWaalsContact O-CB 3.24Å; E22-H26 WeakPolarHBondContact O-CB 3.42Å; E22-H26 PolarHBondContact O-N 2.99Å
23	Y	40.5	Very low	43.4	Very low	183 Å²	183	113.4 Å²	113.4	72%	0.718	59%	0.587	S	S	*	*	H	α-helix	trans	-62.5	-38.4	170.8	-161.8	-97	0	0	0	112.6	A19 V20 N25 H26	A19-Y23 WeakPolarHBondContact O-CB 3.38Å; A19-Y23 PolarHBondContact O-N 2.83Å; V20-Y23 PolarHBondContact O-N 3.44Å; Y23-N25 VanDerWaalsContact C-N 3.26Å; Y23-N25 PolarHBondContact O-N 3.43Å; Y23-H26 PolarHBondContact O-N 3Å
24	I	44	Very low	43.1	Very low	122 Å²	122	113.9 Å²	113.9	63%	0.626	59%	0.587	S	S	*	*	H	α-helix	trans	-68	-26.4	171.9	-63.1	173.3	0	0	0	111.4	V20 E22	V20-I24 PolarHBondContact O-N 3.41Å; V20-I24 VanDerWaalsContact O-N 3.13Å; E22-I24 VanDerWaalsContact C-N 3.35Å; E22-I24 PolarHBondContact O-N 3.35Å
25	N	45.4	Very low	42.5	Very low	120 Å²	120	118.3 Å²	118.3	64%	0.642	60%	0.6	S	S	*	*	H	α-helix	trans	-89.1	-14.9	171.4	-87.4	-5.4	0	0	0	113.9	K21 E22 Y23 E27 N28	K21-N25 PolarHBondContact O-N 2.81Å; E22-N25 CarbonylContact O-C 3.3Å; E22-N25 VanDerWaalsContact O-C 3.3Å; E22-N25 WeakPolarHBondContact O-CA 3.39Å; E22-N25 PolarHBondContact O-N 3.37Å; Y23-N25 VanDerWaalsContact C-N 3.26Å; Y23-N25 PolarHBondContact O-N 3.43Å; N25-E27 PolarHBondContact O-N 3.23Å; N25-N28 PolarHBondContact O-N 3.4Å
26	H	41.1	Very low	42.3	Very low	63 Å²	63	117.6 Å²	117.6	29%	0.292	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-80	-6.2	-175.2	-130.6	-73	0	0	0	112.8	E22 Y23 N28 E29 F30	E22-H26 WeakPolarHBondContact O-CA 3.1Å; E22-H26 VanDerWaalsContact O-CB 3.24Å; E22-H26 WeakPolarHBondContact O-CB 3.42Å; E22-H26 PolarHBondContact O-N 2.99Å; Y23-H26 PolarHBondContact O-N 3Å; H26-N28 PolarHBondContact O-N 3.23Å; H26-N28 VanDerWaalsContact O-N 3.1Å; H26-E29 IonicContact CE1-OE2 3.21Å; H26-E29 IonicContact NE2-OE2 3.62Å; H26-E29 PolarHBondContact O-N 2.93Å; H26-F30 PolarHBondContact O-N 3.13Å
27	E	43.5	Very low	42	Very low	151 Å²	151	118.3 Å²	118.3	71%	0.706	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-55.4	-20.8	165.3	-159	171.7	-173.3	0	0	111.4	N25	N25-E27 PolarHBondContact O-N 3.23Å
28	N	41.5	Very low	41.9	Very low	136 Å²	136	121.8 Å²	121.8	73%	0.727	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-93.2	-13.1	175.1	-68.6	-44.4	0	0	0	115.7	N25 H26	N25-N28 PolarHBondContact O-N 3.4Å; H26-N28 PolarHBondContact O-N 3.23Å; H26-N28 VanDerWaalsContact O-N 3.1Å
29	E	37	Very low	41.8	Very low	119 Å²	119	124.2 Å²	124.2	56%	0.556	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-16	-178.5	-86.4	-163.6	164.3	0	0	115.3	H26 N31 N32	H26-E29 IonicContact CE1-OE2 3.21Å; H26-E29 IonicContact NE2-OE2 3.62Å; H26-E29 PolarHBondContact O-N 2.93Å; E29-N31 PolarHBondContact O-N 2.96Å; E29-N31 VanDerWaalsContact O-N 3.08Å; E29-N32 PolarHBondContact O-N 3.31Å; E29-N32 VanDerWaalsContact O-N 3.12Å
30	F	34.3	Very low	41.6	Very low	170 Å²	170	130.3 Å²	130.3	75%	0.746	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-13	173	-125.2	-85.5	0	0	0	113.3	H26	H26-F30 PolarHBondContact O-N 3.13Å
31	N	43.4	Very low	41.5	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-4.4	175.1	-72.9	-38.9	0	0	0	114.7	E29	E29-N31 PolarHBondContact O-N 2.96Å; E29-N31 VanDerWaalsContact O-N 3.08Å
32	N	40.1	Very low	41.5	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	-8.4	-174.4	-107.1	-27.5	0	0	0	117.1	E29 Q34	E29-N32 PolarHBondContact O-N 3.31Å; E29-N32 VanDerWaalsContact O-N 3.12Å; N32-Q34 PolarHBondContact O-N 2.71Å
33	I	34.7	Very low	41.5	Very low	120 Å²	120	131.4 Å²	131.4	62%	0.615	62%	0.62	S	S	*	*	S	Bend	trans	-83.9	93.7	178.1	-56.9	179.7	0	0	0	110	F35	I33-F35 PolarHBondContact O-N 3.19Å
34	Q	42.6	Very low	41.8	Very low	100 Å²	100	129.6 Å²	129.6	47%	0.467	62%	0.618	S	S	.	*	S	Bend	trans	71.8	10.9	149.5	-65.1	-79.2	-46.4	0	0	119.5	N32 N36 Q37 L38	N32-Q34 PolarHBondContact O-N 2.71Å; Q34-N36 PolarHBondContact O-N 3.18Å; Q34-Q37 PolarHBondContact O-N 2.85Å; Q34-Q37 VanDerWaalsContact OE1-CB 3.27Å; Q34-Q37 VanDerWaalsContact OE1-CD 3.24Å; Q34-Q37 VanDerWaalsContact OE1-CG 3.28Å; Q34-Q37 VanDerWaalsContact OE1-OE1 3.12Å; Q34-L38 PolarHBondContact O-N 3.2Å
35	F	41.2	Very low	41.7	Very low	175 Å²	175	132 Å²	132	77%	0.768	62%	0.624	S	S	*	*	H	α-helix	trans	-59.3	-30.3	163.4	-105.5	-80.4	0	0	0	112	I33 K39	I33-F35 PolarHBondContact O-N 3.19Å; F35-K39 WeakPolarHBondContact O-CB 3.27Å; F35-K39 PolarHBondContact O-N 3.4Å
36	N	42.8	Very low	41.8	Very low	105 Å²	105	129.5 Å²	129.5	56%	0.561	61%	0.61	S	S	*	*	H	α-helix	trans	-70.3	-36.9	-179.7	-75.5	-24.9	0	0	0	113.5	Q34 K39 Y40	Q34-N36 PolarHBondContact O-N 3.18Å; N36-K39 PolarHBondContact O-N 2.73Å; N36-Y40 WeakPolarHBondContact O-CD2 3.5Å; N36-Y40 PolarHBondContact O-N 2.93Å
37	Q	40.4	Very low	41.8	Very low	117 Å²	117	131.9 Å²	131.9	55%	0.547	63%	0.625	S	S	.	*	H	α-helix	trans	-75.9	-38.7	177.5	-66.5	-155.6	-7	0	0	112	Q34 K39 Y40 I41	Q34-Q37 PolarHBondContact O-N 2.85Å; Q34-Q37 VanDerWaalsContact OE1-CB 3.27Å; Q34-Q37 VanDerWaalsContact OE1-CD 3.24Å; Q34-Q37 VanDerWaalsContact OE1-CG 3.28Å; Q34-Q37 VanDerWaalsContact OE1-OE1 3.12Å; Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 3.49Å; Q37-Y40 PolarHBondContact O-N 3.36Å; Q37-I41 WeakPolarHBondContact O-CG1 3.17Å; Q37-I41 PolarHBondContact O-N 2.88Å
38	L	40.2	Very low	41.4	Very low	120 Å²	120	130.9 Å²	130.9	63%	0.628	62%	0.624	S	S	*	*	H	α-helix	trans	-62.6	-40.4	170.6	-116.1	86.7	0	0	0	111.1	Q34 Y40 I41 Y42	Q34-L38 PolarHBondContact O-N 3.2Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; L38-Y40 PolarHBondContact O-N 2.82Å; L38-I41 PolarHBondContact O-N 2.99Å; L38-Y42 WeakPolarHBondContact O-CB 2.89Å; L38-Y42 PolarHBondContact O-N 2.77Å
39	K	44	Very low	41.6	Very low	138 Å²	138	129.4 Å²	129.4	60%	0.6	61%	0.613	S	S	*	*	H	α-helix	trans	-60.2	-41.8	175	-173.7	174.8	-176.2	177.3	0	111.4	F35 N36 Q37 H43	F35-K39 WeakPolarHBondContact O-CB 3.27Å; F35-K39 PolarHBondContact O-N 3.4Å; N36-K39 PolarHBondContact O-N 2.73Å; Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 3.49Å; K39-H43 WeakPolarHBondContact O-CB 3.22Å; K39-H43 PolarHBondContact O-N 2.83Å
40	Y	41.7	Very low	41.9	Very low	184 Å²	184	128.9 Å²	128.9	72%	0.722	61%	0.614	S	S	*	*	H	α-helix	trans	-68.2	-41.1	177.2	-98.1	-83.6	0	0	0	113.2	N36 Q37 L38 H44	N36-Y40 WeakPolarHBondContact O-CD2 3.5Å; N36-Y40 PolarHBondContact O-N 2.93Å; Q37-Y40 PolarHBondContact O-N 3.36Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; L38-Y40 PolarHBondContact O-N 2.82Å; Y40-H44 WeakPolarHBondContact O-CB 3.21Å; Y40-H44 PolarHBondContact O-N 3.13Å
41	I	42.9	Very low	42.5	Very low	121 Å²	121	126.9 Å²	126.9	62%	0.621	62%	0.618	S	S	*	*	H	α-helix	trans	-69.1	-42.3	178.7	-65.5	168.5	0	0	0	110.7	Q37 L38 F45	Q37-I41 WeakPolarHBondContact O-CG1 3.17Å; Q37-I41 PolarHBondContact O-N 2.88Å; L38-I41 PolarHBondContact O-N 2.99Å; I41-F45 PolarHBondContact O-N 3.2Å; I41-F45 VanDerWaalsContact O-N 3.16Å
42	Y	44.8	Very low	43.1	Very low	137 Å²	137	124.3 Å²	124.3	54%	0.537	62%	0.616	S	S	.	*	H	α-helix	trans	-68.1	-42.1	177.3	-144.8	-104.6	0	0	0	111.2	L38 H44 F45 L46	L38-Y42 WeakPolarHBondContact O-CB 2.89Å; L38-Y42 PolarHBondContact O-N 2.77Å; Y42-H44 PolarHBondContact O-N 3.49Å; Y42-F45 PolarHBondContact O-N 3.45Å; Y42-L46 HydrophobicContact CD1-CD1 3.33Å; Y42-L46 HydrophobicContact CD1-CG 3.99Å; Y42-L46 HydrophobicContact CE1-CD1 3.51Å; Y42-L46 HydrophobicContact CE1-CD2 4.45Å; Y42-L46 HydrophobicContact CE1-CG 4.16Å; Y42-L46 HydrophobicContact CG-CD1 4.37Å; Y42-L46 VanDerWaalsContact O-CB 3.32Å; Y42-L46 WeakPolarHBondContact O-CB 3.37Å; Y42-L46 WeakPolarHBondContact O-CG 3.08Å; Y42-L46 PolarHBondContact O-N 3.28Å
43	H	46.3	Very low	44.6	Very low	105 Å²	105	119.5 Å²	119.5	49%	0.486	59%	0.59	S	S	.	*	H	α-helix	trans	-67.7	-36	178.9	-160.6	-106.9	0	0	0	112.2	K39 L46 L47	K39-H43 WeakPolarHBondContact O-CB 3.22Å; K39-H43 PolarHBondContact O-N 2.83Å; H43-L46 PolarHBondContact O-N 3Å; H43-L47 WeakPolarHBondContact CE1-CD1 3.08Å; H43-L47 WeakPolarHBondContact ND1-CD1 3.13Å; H43-L47 VanDerWaalsContact O-CB 3.23Å; H43-L47 WeakPolarHBondContact O-CB 3.48Å; H43-L47 VanDerWaalsContact O-CG 3.22Å; H43-L47 WeakPolarHBondContact O-CG 3.23Å; H43-L47 PolarHBondContact O-N 3.44Å
44	H	47	Very low	46.7	Very low	145 Å²	145	117.1 Å²	117.1	67%	0.671	58%	0.583	S	S	*	*	H	α-helix	trans	-71.3	-32.9	176.2	-168.6	-86.7	0	0	0	112.8	Y40 Y42	Y40-H44 WeakPolarHBondContact O-CB 3.21Å; Y40-H44 PolarHBondContact O-N 3.13Å; Y42-H44 PolarHBondContact O-N 3.49Å
45	F	41.3	Very low	48.7	Very low	174 Å²	174	115.5 Å²	115.5	76%	0.763	58%	0.583	S	S	*	*	H	α-helix	trans	-74.1	-36.1	174	-171.2	-102.9	0	0	0	112.2	I41 Y42	I41-F45 PolarHBondContact O-N 3.2Å; I41-F45 VanDerWaalsContact O-N 3.16Å; Y42-F45 PolarHBondContact O-N 3.45Å
46	L	46.2	Very low	50.9	Low	66 Å²	66	107.8 Å²	107.8	35%	0.346	55%	0.55	S	S	.	*	H	α-helix	trans	-78.9	-33.6	-179.9	-69.8	-179.8	0	0	0	114.4	Y42 H43 N48 G123	Y42-L46 HydrophobicContact CD1-CD1 3.33Å; Y42-L46 HydrophobicContact CD1-CG 3.99Å; Y42-L46 HydrophobicContact CE1-CD1 3.51Å; Y42-L46 HydrophobicContact CE1-CD2 4.45Å; Y42-L46 HydrophobicContact CE1-CG 4.16Å; Y42-L46 HydrophobicContact CG-CD1 4.37Å; Y42-L46 VanDerWaalsContact O-CB 3.32Å; Y42-L46 WeakPolarHBondContact O-CB 3.37Å; Y42-L46 WeakPolarHBondContact O-CG 3.08Å; Y42-L46 PolarHBondContact O-N 3.28Å; H43-L46 PolarHBondContact O-N 3Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 3.08Å; L46-G123 WeakPolarHBondContact CD1-O 3.46Å; L46-G123 WeakPolarHBondContact CD2-O 3.31Å
47	L	42.1	Very low	52.9	Low	113 Å²	113	109.7 Å²	109.7	59%	0.592	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-13.5	-175.4	-77.5	-171.3	0	0	0	114.7	H43 Q49	H43-L47 WeakPolarHBondContact CE1-CD1 3.08Å; H43-L47 WeakPolarHBondContact ND1-CD1 3.13Å; H43-L47 VanDerWaalsContact O-CB 3.23Å; H43-L47 WeakPolarHBondContact O-CB 3.48Å; H43-L47 VanDerWaalsContact O-CG 3.22Å; H43-L47 WeakPolarHBondContact O-CG 3.23Å; H43-L47 PolarHBondContact O-N 3.44Å; L47-Q49 PolarHBondContact O-N 3.06Å; L47-Q49 VanDerWaalsContact O-N 3.08Å
48	N	35.7	Very low	55.1	Low	131 Å²	131	106 Å²	106	70%	0.701	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	7	-168	-157.2	21.3	0	0	0	114.7	L46	L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 3.08Å
49	Q	44.9	Very low	57.5	Low	104 Å²	104	101.6 Å²	101.6	49%	0.486	53%	0.526	S	S	.	.			trans	-142.3	88.5	174.4	-61.5	-170.2	5.5	0	0	112.8	L47 N53	L47-Q49 PolarHBondContact O-N 3.06Å; L47-Q49 VanDerWaalsContact O-N 3.08Å; Q49-N53 WeakPolarHBondContact O-CA 3.41Å; Q49-N53 WeakPolarHBondContact O-CB 3.47Å
50	N	44.3	Very low	59.6	Low	109 Å²	109	99 Å²	99	58%	0.583	52%	0.515	S	S	*	.			trans	-133.1	125	147.6	-158.1	10.2	0	0	0	105.6	A52	N50-A52 PolarHBondContact OD1-N 3.39Å
51	P	45.8	Very low	61.6	Low	128 Å²	128	92.1 Å²	92.1	83%	0.831	49%	0.494	S	S	*	.	S	Bend		-121.3	117.6	68.8	29.4	-15.2	0	0	0	112.4
52	A	56.5	Low	63.7	Low	84 Å²	84	87.6 Å²	87.6	69%	0.694	48%	0.476	S	S	*	.	S	Bend	trans	67.4	60.8	-166.4	0	0	0	0	0	113.8	N50 P54	N50-A52 PolarHBondContact OD1-N 3.39Å; A52-P54 WeakPolarHBondContact O-CD 3.47Å
53	N	70.7	Confident	65.6	Low	34 Å²	34	83 Å²	83	18%	0.182	46%	0.461	C	S	.	.			trans	-11.1	91.4	172.4	-176.5	-16.2	0	0	0	114.5	Q49 S55 C56 F57 I124	Q49-N53 WeakPolarHBondContact O-CA 3.41Å; Q49-N53 WeakPolarHBondContact O-CB 3.47Å; N53-S55 PolarHBondContact O-N 2.94Å; N53-S55 WeakPolarHBondContact OD1-CB 3.38Å; N53-S55 PolarHBondContact OD1-N 3.4Å; N53-C56 HydrophobicContact CB-CB 3.84Å; N53-C56 WeakPolarHBondContact O-CB 3.26Å; N53-C56 PolarHBondContact O-N 3.31Å; N53-C56 VanDerWaalsContact O-N 3.07Å; N53-C56 PolarHBondContact OD1-N 2.93Å; N53-F57 PolarHBondContact O-N 2.83Å; N53-I124 PolarHBondContact ND2-O 3.18Å
54	P	80.3	Confident	67.4	Low	70 Å²	70	85.4 Å²	85.4	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-60	-33.3	-176.9	-23.7	34	0	0	0	112	A52 F57 G58	A52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-F57 PolarHBondContact O-N 3.37Å; P54-G58 PolarHBondContact O-N 2.88Å
55	S	83.5	Confident	68.9	Low	66 Å²	66	83.2 Å²	83.2	46%	0.462	46%	0.457	S	S	.	.	H	α-helix	trans	-64.9	-42.4	176.2	-54.6	0	0	0	0	111.5	N53 G58 C59 I124	N53-S55 PolarHBondContact O-N 2.94Å; N53-S55 WeakPolarHBondContact OD1-CB 3.38Å; N53-S55 PolarHBondContact OD1-N 3.4Å; S55-G58 PolarHBondContact O-N 3.21Å; S55-C59 VanDerWaalsContact O-CB 3.27Å; S55-C59 WeakPolarHBondContact O-CB 3.49Å; S55-C59 PolarHBondContact O-N 2.92Å; S55-I124 WeakPolarHBondContact O-CG2 2.99Å
56	C	86.7	Confident	70.7	Confident	13 Å²	13	78.1 Å²	78.1	9%	0.088	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-42.3	173.9	174.9	0	0	0	0	111.2	N53 C59 K60 I124 C125	N53-C56 HydrophobicContact CB-CB 3.84Å; N53-C56 WeakPolarHBondContact O-CB 3.26Å; N53-C56 PolarHBondContact O-N 3.31Å; N53-C56 VanDerWaalsContact O-N 3.07Å; N53-C56 PolarHBondContact OD1-N 2.93Å; C56-C59 PolarHBondContact O-N 3.09Å; C56-K60 WeakPolarHBondContact O-CB 3.37Å; C56-K60 VanDerWaalsContact O-CG 3.22Å; C56-K60 WeakPolarHBondContact O-CG 3.32Å; C56-K60 PolarHBondContact O-N 2.96Å; C56-K60 WeakPolarHBondContact SG-CE 3.46Å; C56-I124 HydrophobicContact CB-CG2 4.44Å; C56-C125 VanDerWaalsContact CA-SG 3.52Å; C56-C125 HydrophobicContact CB-CB 4.08Å; C56-C125 WeakPolarHBondContact CB-SG 3.31Å; C56-C125 WeakPolarHBondContact SG-CB 3.22Å; C56-C125 CovalentContact SG-SG 2.03Å; C56-C125 PolarHBondContact SG-SG 3.4Å
57	F	86.5	Confident	72	Confident	145 Å²	145	76.4 Å²	76.4	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-62.5	-46	174.6	179.2	-95.9	0	0	0	112.5	N53 P54 K60 S61	N53-F57 PolarHBondContact O-N 2.83Å; P54-F57 PolarHBondContact O-N 3.37Å; F57-K60 PolarHBondContact O-N 3.45Å; F57-S61 WeakPolarHBondContact O-CB 3.25Å; F57-S61 PolarHBondContact O-N 2.86Å; F57-S61 PolarHBondContact O-OG 3.13Å
58	G	85.8	Confident	73.5	Confident	40 Å²	40	74.4 Å²	74.4	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-44.2	177	0	0	0	0	0	112.2	P54 S55 S61 G62	P54-G58 PolarHBondContact O-N 2.88Å; S55-G58 PolarHBondContact O-N 3.21Å; G58-S61 PolarHBondContact O-N 3.17Å; G58-G62 PolarHBondContact O-N 2.9Å
59	C	90.6	Very high	75.1	Confident	26 Å²	26	75.6 Å²	75.6	18%	0.176	42%	0.419	C	S	.	.	H	α-helix	trans	-61.6	-47.9	175.5	176.4	0	0	0	0	111.6	S55 C56 S61 G62 L63 C119 I124	S55-C59 VanDerWaalsContact O-CB 3.27Å; S55-C59 WeakPolarHBondContact O-CB 3.49Å; S55-C59 PolarHBondContact O-N 2.92Å; C56-C59 PolarHBondContact O-N 3.09Å; C59-S61 VanDerWaalsContact C-N 3.29Å; C59-S61 PolarHBondContact O-N 3.39Å; C59-G62 PolarHBondContact O-N 3.38Å; C59-L63 WeakPolarHBondContact O-CB 3.47Å; C59-L63 PolarHBondContact O-N 2.96Å; C59-C119 HydrophobicContact CB-CB 3.95Å; C59-C119 WeakPolarHBondContact CB-SG 3.07Å; C59-C119 VanDerWaalsContact SG-CA 3.55Å; C59-C119 WeakPolarHBondContact SG-CB 3.25Å; C59-C119 CovalentContact SG-SG 2.03Å; C59-C119 PolarHBondContact SG-SG 3.15Å; C59-I124 HydrophobicContact CB-CD1 4.05Å; C59-I124 HydrophobicContact CB-CG2 3.94Å
60	K	87.8	Confident	76.2	Confident	84 Å²	84	75 Å²	75	37%	0.365	42%	0.422	S	S	.	.	H	α-helix	trans	-56.1	-46.8	178.1	-78	172.1	178.7	179.2	0	111.3	C56 F57 W64 S115 A116 C119	C56-K60 WeakPolarHBondContact O-CB 3.37Å; C56-K60 VanDerWaalsContact O-CG 3.22Å; C56-K60 WeakPolarHBondContact O-CG 3.32Å; C56-K60 PolarHBondContact O-N 2.96Å; C56-K60 WeakPolarHBondContact SG-CE 3.46Å; F57-K60 PolarHBondContact O-N 3.45Å; K60-W64 WeakPolarHBondContact O-CB 3.42Å; K60-W64 PolarHBondContact O-N 3.15Å; K60-S115 WeakPolarHBondContact O-CB 3.41Å; K60-A116 HydrophobicContact CD-CB 4.32Å; K60-A116 VanDerWaalsContact CE-CB 3.43Å; K60-A116 HydrophobicContact CG-CB 4.38Å; K60-C119 PolarHBondContact N-SG 2.96Å
61	S	84.2	Confident	77.2	Confident	40 Å²	40	73.3 Å²	73.3	28%	0.28	41%	0.41	S	S	.	.	H	α-helix	trans	-66	-43.4	179.9	-55.4	0	0	0	0	111.7	F57 G58 C59 W64 M65	F57-S61 WeakPolarHBondContact O-CB 3.25Å; F57-S61 PolarHBondContact O-N 2.86Å; F57-S61 PolarHBondContact O-OG 3.13Å; G58-S61 PolarHBondContact O-N 3.17Å; C59-S61 VanDerWaalsContact C-N 3.29Å; C59-S61 PolarHBondContact O-N 3.39Å; S61-W64 PolarHBondContact O-N 3.44Å; S61-M65 PolarHBondContact O-N 3.46Å
62	G	86.4	Confident	78.1	Confident	25 Å²	25	69.9 Å²	69.9	26%	0.258	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-46.9	177.3	0	0	0	0	0	112.8	G58 C59 W64 M65 L66	G58-G62 PolarHBondContact O-N 2.9Å; C59-G62 PolarHBondContact O-N 3.38Å; G62-W64 VanDerWaalsContact C-N 3.34Å; G62-W64 PolarHBondContact O-N 3.36Å; G62-M65 PolarHBondContact O-N 3.2Å; G62-L66 WeakPolarHBondContact O-CB 3.3Å; G62-L66 WeakPolarHBondContact O-CG 3.45Å; G62-L66 PolarHBondContact O-N 3.03Å
63	L	85.8	Confident	78.7	Confident	41 Å²	41	68.6 Å²	68.6	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-66.4	-35.8	177.2	-73.8	-176.9	0	0	0	112.5	C59 L66 K67 L118 C119	C59-L63 WeakPolarHBondContact O-CB 3.47Å; C59-L63 PolarHBondContact O-N 2.96Å; L63-L66 HydrophobicContact CD2-CD1 4.07Å; L63-L66 PolarHBondContact O-N 2.86Å; L63-K67 WeakPolarHBondContact O-CB 3.24Å; L63-K67 WeakPolarHBondContact O-CG 3.29Å; L63-K67 PolarHBondContact O-N 3.33Å; L63-L118 HydrophobicContact CD1-CB 3.44Å; L63-L118 VanDerWaalsContact CD1-CB 3.44Å; L63-L118 HydrophobicContact CD1-CD1 4.13Å; L63-L118 HydrophobicContact CD1-CG 4.46Å; L63-C119 WeakPolarHBondContact CD1-SG 3.29Å
64	W	82.9	Confident	78.9	Confident	155 Å²	155	70.9 Å²	70.9	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-45.4	173.2	-179.9	83.7	0	0	0	111.5	K60 S61 G62 T68 S115	K60-W64 WeakPolarHBondContact O-CB 3.42Å; K60-W64 PolarHBondContact O-N 3.15Å; S61-W64 PolarHBondContact O-N 3.44Å; G62-W64 VanDerWaalsContact C-N 3.34Å; G62-W64 PolarHBondContact O-N 3.36Å; W64-T68 WeakPolarHBondContact O-CB 3.33Å; W64-T68 PolarHBondContact O-N 2.65Å; W64-T68 VanDerWaalsContact O-N 3.14Å; W64-T68 PolarHBondContact O-OG1 3.33Å; W64-S115 PolarHBondContact N-OG 2.92Å
65	M	78.5	Confident	78.7	Confident	99 Å²	99	74.5 Å²	74.5	49%	0.488	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-44.8	173.7	-77	-170.6	-82.6	0	0	112	S61 G62 K67 T68 F69	S61-M65 PolarHBondContact O-N 3.46Å; G62-M65 PolarHBondContact O-N 3.2Å; M65-K67 PolarHBondContact O-N 3.26Å; M65-T68 PolarHBondContact O-N 3.48Å; M65-F69 HydrophobicContact CB-CD2 4.43Å; M65-F69 WeakPolarHBondContact O-CD2 3.1Å; M65-F69 PolarHBondContact O-N 3.21Å
66	L	79.4	Confident	78.2	Confident	67 Å²	67	77.9 Å²	77.9	35%	0.351	41%	0.405	S	S	.	.	H	α-helix	trans	-60.4	-46	179.4	-79.7	165	0	0	0	112.6	G62 L63 T68 V70 F71	G62-L66 WeakPolarHBondContact O-CB 3.3Å; G62-L66 WeakPolarHBondContact O-CG 3.45Å; G62-L66 PolarHBondContact O-N 3.03Å; L63-L66 HydrophobicContact CD2-CD1 4.07Å; L63-L66 PolarHBondContact O-N 2.86Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.17Å; L66-V70 HydrophobicContact CD2-CB 4Å; L66-V70 HydrophobicContact CD2-CG1 4.33Å; L66-V70 HydrophobicContact CD2-CG2 3.84Å; L66-V70 WeakPolarHBondContact O-CB 3.42Å; L66-V70 PolarHBondContact O-N 3.1Å; L66-F71 HydrophobicContact CB-CD2 4.39Å; L66-F71 HydrophobicContact CB-CE2 4.38Å; L66-F71 HydrophobicContact CD2-CE2 4.41Å; L66-F71 PolarHBondContact O-N 3.17Å; L66-F71 VanDerWaalsContact O-N 3.16Å
67	K	74.1	Confident	77.6	Confident	30 Å²	30	78.6 Å²	78.6	13%	0.13	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-36.4	176.9	-75.9	178	174.4	-173.7	0	112.6	L63 M65 I110 Y111 Y113 L118	L63-K67 WeakPolarHBondContact O-CB 3.24Å; L63-K67 WeakPolarHBondContact O-CG 3.29Å; L63-K67 PolarHBondContact O-N 3.33Å; M65-K67 PolarHBondContact O-N 3.26Å; K67-I110 WeakPolarHBondContact CE-O 3.45Å; K67-I110 HydrophobicContact CG-CG2 4.3Å; K67-I110 PolarHBondContact NZ-O 3.25Å; K67-Y111 HydrophobicContact CB-CE1 4.3Å; K67-Y111 PolarHBondContact O-OH 2.97Å; K67-Y113 PolarHBondContact NZ-O 3.48Å; K67-L118 VanDerWaalsContact NZ-CD1 3.35Å
68	T	74	Confident	77.2	Confident	72 Å²	72	74.2 Å²	74.2	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-77.6	-41	-176.9	-54.4	0	0	0	0	112	W64 M65 L66	W64-T68 WeakPolarHBondContact O-CB 3.33Å; W64-T68 PolarHBondContact O-N 2.65Å; W64-T68 VanDerWaalsContact O-N 3.14Å; W64-T68 PolarHBondContact O-OG1 3.33Å; M65-T68 PolarHBondContact O-N 3.48Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.17Å
69	F	69.3	Low	76.8	Confident	156 Å²	156	76.4 Å²	76.4	68%	0.684	39%	0.391	S	S	*	.	H	α-helix	trans	-111	-31.4	-168.3	-66.2	-67.8	0	0	0	115.2	M65	M65-F69 HydrophobicContact CB-CD2 4.43Å; M65-F69 WeakPolarHBondContact O-CD2 3.1Å; M65-F69 PolarHBondContact O-N 3.21Å
70	V	66.1	Low	76.2	Confident	90 Å²	90	81.2 Å²	81.2	55%	0.545	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-49.5	-167.8	179.5	0	0	0	0	112	L66 G72	L66-V70 HydrophobicContact CD2-CB 4Å; L66-V70 HydrophobicContact CD2-CG1 4.33Å; L66-V70 HydrophobicContact CD2-CG2 3.84Å; L66-V70 WeakPolarHBondContact O-CB 3.42Å; L66-V70 PolarHBondContact O-N 3.1Å; V70-G72 PolarHBondContact O-N 3.49Å
71	F	65.7	Low	75.8	Confident	75 Å²	75	77.3 Å²	77.3	33%	0.329	39%	0.394	S	S	.	.	S	Bend	trans	-87.8	13	-176.7	-66.3	-67.2	0	0	0	114.2	L66 S73 Y111	L66-F71 HydrophobicContact CB-CD2 4.39Å; L66-F71 HydrophobicContact CB-CE2 4.38Å; L66-F71 HydrophobicContact CD2-CE2 4.41Å; L66-F71 PolarHBondContact O-N 3.17Å; L66-F71 VanDerWaalsContact O-N 3.16Å; F71-S73 PolarHBondContact O-N 3.35Å; F71-Y111 HydrophobicContact CB-CE2 3.93Å; F71-Y111 WeakPolarHBondContact CB-OH 3.35Å; F71-Y111 PolarHBondContact O-OH 3.43Å
72	G	64.4	Low	75.7	Confident	55 Å²	55	79.9 Å²	79.9	57%	0.567	40%	0.401	S	S	*	.			trans	-59.2	-4.3	-165.4	0	0	0	0	0	117.3	V70	V70-G72 PolarHBondContact O-N 3.49Å
73	S	70.3	Confident	75.5	Confident	57 Å²	57	83 Å²	83	40%	0.399	42%	0.415	S	S	.	.			trans	-143.1	130.4	169.5	75.6	0	0	0	0	113.3	F71 K75 F76	F71-S73 PolarHBondContact O-N 3.35Å; S73-K75 PolarHBondContact O-N 3.02Å; S73-F76 PolarHBondContact O-N 3.4Å; S73-F76 PolarHBondContact OG-N 2.87Å
74	R	74.2	Confident	75.2	Confident	83 Å²	83	83.8 Å²	83.8	31%	0.313	42%	0.422	S	S	.	.	H	α-helix	trans	-53.4	-31.9	169.6	-161.9	-169.9	-74.7	-95.6	-1.7	111.8	F76 I77 H78 D104 Y107 D108	R74-F76 PolarHBondContact O-N 3.49Å; R74-I77 WeakPolarHBondContact O-CB 3.48Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-I77 VanDerWaalsContact O-N 3.14Å; R74-H78 WeakPolarHBondContact CD-NE2 3.45Å; R74-H78 WeakPolarHBondContact CG-NE2 3.33Å; R74-H78 PolarHBondContact O-CD2 3.2Å; R74-H78 PolarHBondContact O-N 2.77Å; R74-D104 WeakPolarHBondContact CD-OD1 3Å; R74-D104 IonicContact CZ-OD1 3.7Å; R74-D104 IonicContact NE-OD1 3.95Å; R74-D104 VanDerWaalsContact NH1-CG 3.28Å; R74-D104 IonicContact NH1-OD1 3.83Å; R74-D104 PolarHBondContact NH1-OD1 3.27Å; R74-Y107 HydrophobicContact CB-CE2 4.43Å; R74-D108 IonicContact CZ-OD1 2.71Å; R74-D108 IonicContact NH1-OD1 2.71Å; R74-D108 IonicContact NH2-OD1 3.6Å; R74-D108 PolarHBondContact NH2-OD1 2.94Å; R74-D108 IonicContact NH2-OD2 3.6Å
75	K	75.7	Confident	75.3	Confident	146 Å²	146	76.4 Å²	76.4	64%	0.635	39%	0.394	S	S	*	.	H	α-helix	trans	-56.1	-45.3	177.4	-177.7	167.7	179.9	150.2	0	113.3	S73 I77 H78 D79	S73-K75 PolarHBondContact O-N 3.02Å; K75-I77 PolarHBondContact O-N 3.07Å; K75-H78 PolarHBondContact O-N 3.37Å; K75-D79 PolarHBondContact O-N 3.38Å
76	F	73.4	Confident	75.7	Confident	136 Å²	136	75.1 Å²	75.1	60%	0.596	39%	0.392	S	S	*	.	H	α-helix	trans	-58.4	-36.4	179.4	178.8	-98.1	0	0	0	112	S73 R74	S73-F76 PolarHBondContact O-N 3.4Å; S73-F76 PolarHBondContact OG-N 2.87Å; R74-F76 PolarHBondContact O-N 3.49Å
77	I	73.8	Confident	75.8	Confident	28 Å²	28	78.3 Å²	78.3	14%	0.144	41%	0.409	C	S	.	.	H	α-helix	trans	-69.8	-47.3	179.5	-62.5	172.7	0	0	0	110.3	R74 K75 D79 H80 L103 Y107	R74-I77 WeakPolarHBondContact O-CB 3.48Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-I77 VanDerWaalsContact O-N 3.14Å; K75-I77 PolarHBondContact O-N 3.07Å; I77-D79 PolarHBondContact O-N 3.38Å; I77-H80 PolarHBondContact O-N 3.08Å; I77-L103 HydrophobicContact CG2-CB 3.64Å; I77-L103 HydrophobicContact CG2-CD1 3.75Å; I77-L103 HydrophobicContact CG2-CD2 3.88Å; I77-L103 HydrophobicContact CG2-CG 3.95Å; I77-Y107 HydrophobicContact CD1-CD2 3.48Å; I77-Y107 VanDerWaalsContact CD1-CD2 3.48Å; I77-Y107 HydrophobicContact CD1-CE2 4.17Å; I77-Y107 HydrophobicContact CD1-CG 4.38Å
78	H	78.7	Confident	76	Confident	54 Å²	54	82 Å²	82	25%	0.25	43%	0.425	C	S	.	.	H	α-helix	trans	-65.3	-34.3	179.5	-66.2	-67.7	0	0	0	113.9	R74 K75 H80 I81 E82 D104	R74-H78 WeakPolarHBondContact CD-NE2 3.45Å; R74-H78 WeakPolarHBondContact CG-NE2 3.33Å; R74-H78 PolarHBondContact O-CD2 3.2Å; R74-H78 PolarHBondContact O-N 2.77Å; K75-H78 PolarHBondContact O-N 3.37Å; H78-H80 PolarHBondContact O-N 2.97Å; H78-I81 HydrophobicContact CB-CD1 4.5Å; H78-I81 VanDerWaalsContact O-CB 3.32Å; H78-I81 WeakPolarHBondContact O-CB 3.25Å; H78-I81 PolarHBondContact O-N 2.8Å; H78-E82 PolarHBondContact O-N 3.02Å; H78-D104 IonicContact CE1-OD1 3.13Å; H78-D104 PolarHBondContact CE1-OD1 3.47Å; H78-D104 IonicContact CE1-OD2 3.47Å; H78-D104 PolarHBondContact CE1-OD2 2.96Å; H78-D104 IonicContact NE2-OD1 3.27Å; H78-D104 PolarHBondContact NE2-OD1 3.33Å
79	D	78.6	Confident	76.2	Confident	86 Å²	86	87.2 Å²	87.2	46%	0.46	44%	0.442	S	S	.	.	H	α-helix	trans	-60.9	-31.7	178.1	-70.6	-13.3	0	0	0	111.1	K75 I77	K75-D79 PolarHBondContact O-N 3.38Å; I77-D79 PolarHBondContact O-N 3.38Å
80	H	77.5	Confident	76.8	Confident	126 Å²	126	87.3 Å²	87.3	58%	0.583	45%	0.45	S	S	*	.	H	α-helix	trans	-75.3	-26.2	177.1	-137.6	73.5	0	0	0	113.5	I77 H78 E82 T84	I77-H80 PolarHBondContact O-N 3.08Å; H78-H80 PolarHBondContact O-N 2.97Å; H80-E82 VanDerWaalsContact C-N 3.34Å; H80-T84 PolarHBondContact O-N 2.93Å; H80-T84 VanDerWaalsContact O-N 3.09Å; H80-T84 PolarHBondContact O-OG1 2.98Å
81	I	79.7	Confident	77.3	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.015	44%	0.441	C	S	.	.	H	α-helix	trans	-65	-43.4	176.2	-58.9	176.1	0	0	0	110.2	H78 V83 T84 C85 K96 L99 L103	H78-I81 HydrophobicContact CB-CD1 4.5Å; H78-I81 VanDerWaalsContact O-CB 3.32Å; H78-I81 WeakPolarHBondContact O-CB 3.25Å; H78-I81 PolarHBondContact O-N 2.8Å; I81-V83 VanDerWaalsContact C-N 3.31Å; I81-V83 PolarHBondContact O-N 3.06Å; I81-T84 PolarHBondContact O-N 3.12Å; I81-T84 VanDerWaalsContact O-N 3.12Å; I81-C85 PolarHBondContact O-N 3.46Å; I81-K96 HydrophobicContact CG2-CG 4.15Å; I81-L99 HydrophobicContact CD1-CB 4.42Å; I81-L99 HydrophobicContact CG1-CB 4.31Å; I81-L99 HydrophobicContact CG2-CB 3.72Å; I81-L99 HydrophobicContact CG2-CD1 4.23Å; I81-L103 HydrophobicContact CD1-CB 4.34Å; I81-L103 HydrophobicContact CD1-CD1 3.42Å; I81-L103 VanDerWaalsContact CD1-CD1 3.42Å; I81-L103 HydrophobicContact CD1-CG 4.45Å; I81-L103 HydrophobicContact CG1-CD1 3.32Å
82	E	80.5	Confident	78.1	Confident	93 Å²	93	85.8 Å²	85.8	44%	0.435	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-44.5	-177.9	-174.6	155.9	-158.6	0	0	111.2	H78 H80 T84 T86	H78-E82 PolarHBondContact O-N 3.02Å; H80-E82 VanDerWaalsContact C-N 3.34Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.08Å; E82-T86 HydrophobicContact CG-CG2 4.5Å; E82-T86 WeakPolarHBondContact O-CG2 3.36Å; E82-T86 PolarHBondContact O-N 3.02Å; E82-T86 VanDerWaalsContact O-N 3.07Å; E82-T86 PolarHBondContact O-OG1 3.13Å; E82-T86 VanDerWaalsContact O-OG1 3.08Å
83	V	82.1	Confident	79.1	Confident	91 Å²	91	90.8 Å²	90.8	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-62.5	-41.9	174.8	-179.9	0	0	0	0	111.3	I81 T86	I81-V83 VanDerWaalsContact C-N 3.31Å; I81-V83 PolarHBondContact O-N 3.06Å; V83-T86 PolarHBondContact O-OG1 2.77Å
84	T	81.2	Confident	79.5	Confident	57 Å²	57	89.6 Å²	89.6	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-44.8	-178.2	-56.4	0	0	0	0	111.8	H80 I81 E82 L99	H80-T84 PolarHBondContact O-N 2.93Å; H80-T84 VanDerWaalsContact O-N 3.09Å; H80-T84 PolarHBondContact O-OG1 2.98Å; I81-T84 PolarHBondContact O-N 3.12Å; I81-T84 VanDerWaalsContact O-N 3.12Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.08Å; T84-L99 HydrophobicContact CG2-CD1 3.86Å
85	C	85.1	Confident	80	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-80.9	-23.8	-175	-69.8	0	0	0	0	114.5	I81 N87 F88 Y92 C95 K96	I81-C85 PolarHBondContact O-N 3.46Å; C85-N87 PolarHBondContact O-N 2.93Å; C85-N87 VanDerWaalsContact O-N 3.14Å; C85-F88 PolarHBondContact O-N 2.88Å; C85-Y92 HydrophobicContact CB-CD2 3.9Å; C85-Y92 HydrophobicContact CB-CE2 4.15Å; C85-Y92 WeakPolarHBondContact O-CD2 3.38Å; C85-C95 WeakPolarHBondContact CA-SG 3.32Å; C85-C95 HydrophobicContact CB-CB 3.84Å; C85-C95 WeakPolarHBondContact CB-SG 3.47Å; C85-C95 WeakPolarHBondContact SG-CB 3.46Å; C85-C95 CovalentContact SG-SG 2.06Å; C85-C95 PolarHBondContact SG-SG 3.33Å; C85-K96 HydrophobicContact CB-CB 4.46Å; C85-K96 VanDerWaalsContact SG-CA 3.54Å; C85-K96 PolarHBondContact SG-N 3.37Å
86	T	85.2	Confident	80.5	Confident	73 Å²	73	83.1 Å²	83.1	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-22.9	177.5	45	0	0	0	0	113.1	E82 V83 F88 Y92	E82-T86 HydrophobicContact CG-CG2 4.5Å; E82-T86 WeakPolarHBondContact O-CG2 3.36Å; E82-T86 PolarHBondContact O-N 3.02Å; E82-T86 VanDerWaalsContact O-N 3.07Å; E82-T86 PolarHBondContact O-OG1 3.13Å; E82-T86 VanDerWaalsContact O-OG1 3.08Å; V83-T86 PolarHBondContact O-OG1 2.77Å; T86-F88 PolarHBondContact O-N 3.41Å; T86-Y92 HydrophobicContact CG2-CD2 4.37Å; T86-Y92 HydrophobicContact CG2-CE2 3.89Å
87	N	83.1	Confident	81	Confident	133 Å²	133	83 Å²	83	71%	0.711	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.4	172.1	-68	-37.3	0	0	0	113.4	C85	C85-N87 PolarHBondContact O-N 2.93Å; C85-N87 VanDerWaalsContact O-N 3.14Å
88	F	78.3	Confident	81.3	Confident	107 Å²	107	84 Å²	84	47%	0.469	41%	0.41	S	S	.	.			trans	-108.8	69.9	-176.4	-64.5	-80.4	0	0	0	111.8	C85 T86 N90 I91 Y92	C85-F88 PolarHBondContact O-N 2.88Å; T86-F88 PolarHBondContact O-N 3.41Å; F88-N90 PolarHBondContact O-N 3.45Å; F88-I91 HydrophobicContact CB-CD1 4.23Å; F88-I91 HydrophobicContact CB-CG1 3.6Å; F88-I91 HydrophobicContact CD1-CD1 4.08Å; F88-I91 HydrophobicContact CD1-CG1 4.32Å; F88-I91 HydrophobicContact CG-CD1 4.34Å; F88-I91 HydrophobicContact CG-CG1 4.24Å; F88-I91 CarbonylContact O-C 3.37Å; F88-I91 PolarHBondContact O-N 2.89Å; F88-I91 VanDerWaalsContact O-N 3.14Å; F88-Y92 VanDerWaalsContact O-CA 3.24Å; F88-Y92 WeakPolarHBondContact O-CA 3.33Å; F88-Y92 WeakPolarHBondContact O-CB 3.34Å; F88-Y92 PolarHBondContact O-N 3.25Å
89	K	78.2	Confident	81.6	Confident	183 Å²	183	83.7 Å²	83.7	80%	0.796	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-48	-49.5	-173.2	-68.5	-177	-180	178.8	0	114.5
90	N	80.8	Confident	81.9	Confident	158 Å²	158	81 Å²	81	85%	0.845	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-71.7	-31.9	-174.6	-65.8	-9.7	0	0	0	113	F88	F88-N90 PolarHBondContact O-N 3.45Å
91	I	76.1	Confident	82.1	Confident	71 Å²	71	79 Å²	79	36%	0.364	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-112.8	21.5	-178.6	64.2	173	0	0	0	112	F88 K93 P94 C95 I147	F88-I91 HydrophobicContact CB-CD1 4.23Å; F88-I91 HydrophobicContact CB-CG1 3.6Å; F88-I91 HydrophobicContact CD1-CD1 4.08Å; F88-I91 HydrophobicContact CD1-CG1 4.32Å; F88-I91 HydrophobicContact CG-CD1 4.34Å; F88-I91 HydrophobicContact CG-CG1 4.24Å; F88-I91 CarbonylContact O-C 3.37Å; F88-I91 PolarHBondContact O-N 2.89Å; F88-I91 VanDerWaalsContact O-N 3.14Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.83Å; I91-P94 HydrophobicContact CB-CG 4.47Å; I91-P94 VanDerWaalsContact O-CD 3.28Å; I91-P94 WeakPolarHBondContact O-CD 3.5Å; I91-C95 WeakPolarHBondContact O-CB 3.5Å; I91-C95 PolarHBondContact O-N 3.49Å; I91-I147 HydrophobicContact CG2-CG2 4.15Å
92	Y	82.9	Confident	82.2	Confident	61 Å²	61	83.6 Å²	83.6	24%	0.239	41%	0.408	C	S	.	.	H	α-helix	trans	-56.4	-48.3	-175.5	165.8	-95.7	0	0	0	111.4	C85 T86 F88 K96	C85-Y92 HydrophobicContact CB-CD2 3.9Å; C85-Y92 HydrophobicContact CB-CE2 4.15Å; C85-Y92 WeakPolarHBondContact O-CD2 3.38Å; T86-Y92 HydrophobicContact CG2-CD2 4.37Å; T86-Y92 HydrophobicContact CG2-CE2 3.89Å; F88-Y92 VanDerWaalsContact O-CA 3.24Å; F88-Y92 WeakPolarHBondContact O-CA 3.33Å; F88-Y92 WeakPolarHBondContact O-CB 3.34Å; F88-Y92 PolarHBondContact O-N 3.25Å; Y92-K96 HydrophobicContact CE1-CD 4.34Å; Y92-K96 VanDerWaalsContact O-CB 3.29Å; Y92-K96 WeakPolarHBondContact O-CB 3.47Å; Y92-K96 PolarHBondContact O-N 3.16Å
93	K	85.6	Confident	82.3	Confident	161 Å²	161	81.5 Å²	81.5	70%	0.7	40%	0.4	S	S	*	.	H	α-helix	trans	-64.7	-51.8	-179.5	-70.2	-177.7	-176.6	179.6	0	111.6	I91 K96 R97	I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 2.83Å; K93-K96 PolarHBondContact O-N 3.36Å; K93-R97 PolarHBondContact O-N 2.91Å; K93-R97 VanDerWaalsContact O-N 3.08Å
94	P	79.7	Confident	82.5	Confident	31 Å²	31	78.6 Å²	78.6	20%	0.201	38%	0.381	C	S	.	.	H	α-helix	trans	-59.1	-44.8	174.1	-19.6	23.8	0	0	0	114	I91 K96 R97 I98 I147	I91-P94 HydrophobicContact CB-CG 4.47Å; I91-P94 VanDerWaalsContact O-CD 3.28Å; I91-P94 WeakPolarHBondContact O-CD 3.5Å; P94-K96 VanDerWaalsContact C-N 3.33Å; P94-K96 PolarHBondContact O-N 3.41Å; P94-R97 PolarHBondContact O-N 3.09Å; P94-I98 WeakPolarHBondContact O-CG1 3.18Å; P94-I98 PolarHBondContact O-N 2.86Å; P94-I147 HydrophobicContact CB-CD1 3.26Å; P94-I147 HydrophobicContact CB-CG1 3.42Å; P94-I147 VanDerWaalsContact CB-CG1 3.42Å; P94-I147 HydrophobicContact CG-CD1 4.25Å; P94-I147 HydrophobicContact CG-CG1 3.94Å
95	C	83.2	Confident	82.6	Confident	19 Å²	19	78.5 Å²	78.5	13%	0.128	38%	0.375	C	S	.	.	H	α-helix	trans	-54.4	-50.7	175.4	172.3	0	0	0	0	111.1	C85 I91 R97 I98 L99	C85-C95 WeakPolarHBondContact CA-SG 3.32Å; C85-C95 HydrophobicContact CB-CB 3.84Å; C85-C95 WeakPolarHBondContact CB-SG 3.47Å; C85-C95 WeakPolarHBondContact SG-CB 3.46Å; C85-C95 CovalentContact SG-SG 2.06Å; C85-C95 PolarHBondContact SG-SG 3.33Å; I91-C95 WeakPolarHBondContact O-CB 3.5Å; I91-C95 PolarHBondContact O-N 3.49Å; C95-R97 VanDerWaalsContact C-N 3.25Å; C95-R97 PolarHBondContact O-N 3.25Å; C95-I98 PolarHBondContact O-N 3.08Å; C95-L99 WeakPolarHBondContact O-CB 3.47Å; C95-L99 PolarHBondContact O-N 2.93Å
96	K	86.4	Confident	82.4	Confident	75 Å²	75	79.7 Å²	79.7	33%	0.326	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-41.1	-178.1	-175.4	172.5	-174.6	170.8	0	110.3	I81 C85 Y92 K93 P94 T100	I81-K96 HydrophobicContact CG2-CG 4.15Å; C85-K96 HydrophobicContact CB-CB 4.46Å; C85-K96 VanDerWaalsContact SG-CA 3.54Å; C85-K96 PolarHBondContact SG-N 3.37Å; Y92-K96 HydrophobicContact CE1-CD 4.34Å; Y92-K96 VanDerWaalsContact O-CB 3.29Å; Y92-K96 WeakPolarHBondContact O-CB 3.47Å; Y92-K96 PolarHBondContact O-N 3.16Å; K93-K96 PolarHBondContact O-N 3.36Å; P94-K96 VanDerWaalsContact C-N 3.33Å; P94-K96 PolarHBondContact O-N 3.41Å; K96-T100 WeakPolarHBondContact O-CB 3.25Å; K96-T100 PolarHBondContact O-N 3.23Å; K96-T100 PolarHBondContact O-OG1 3.41Å
97	R	83.7	Confident	82.4	Confident	133 Å²	133	78 Å²	78	50%	0.502	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-54.3	178.4	-160.5	-173.2	-47.4	-178.6	0.6	111.7	K93 P94 C95 L99 T100 E101 E143	K93-R97 PolarHBondContact O-N 2.91Å; K93-R97 VanDerWaalsContact O-N 3.08Å; P94-R97 PolarHBondContact O-N 3.09Å; C95-R97 VanDerWaalsContact C-N 3.25Å; C95-R97 PolarHBondContact O-N 3.25Å; R97-L99 PolarHBondContact O-N 3.49Å; R97-T100 WeakPolarHBondContact O-CB 3.24Å; R97-T100 PolarHBondContact O-N 3.01Å; R97-T100 VanDerWaalsContact O-N 3.11Å; R97-E101 WeakPolarHBondContact O-CG 3.46Å; R97-E101 PolarHBondContact O-N 3.39Å; R97-E143 WeakPolarHBondContact CD-OE1 3.24Å; R97-E143 IonicContact CZ-OE1 2.63Å; R97-E143 IonicContact NE-OE1 4Å; R97-E143 PolarHBondContact NE-OE1 3.2Å; R97-E143 IonicContact NH1-OE1 3.37Å; R97-E143 PolarHBondContact NH1-OE1 2.06Å
98	I	81.3	Confident	82.5	Confident	48 Å²	48	75.8 Å²	75.8	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-56.3	-50	179.8	-68.4	171.9	0	0	0	111.2	P94 C95 T100 E101 F102 E143 I147	P94-I98 WeakPolarHBondContact O-CG1 3.18Å; P94-I98 PolarHBondContact O-N 2.86Å; C95-I98 PolarHBondContact O-N 3.08Å; I98-T100 VanDerWaalsContact C-N 3.31Å; I98-T100 PolarHBondContact O-N 3.36Å; I98-E101 PolarHBondContact O-N 2.88Å; I98-F102 VanDerWaalsContact O-CB 3.24Å; I98-F102 WeakPolarHBondContact O-CB 3.45Å; I98-F102 PolarHBondContact O-N 2.98Å; I98-E143 HydrophobicContact CD1-CB 4.08Å; I98-E143 HydrophobicContact CD1-CG 4.21Å; I98-E143 HydrophobicContact CG1-CB 3.77Å; I98-E143 HydrophobicContact CG1-CG 3.7Å; I98-I147 HydrophobicContact CD1-CD1 3.53Å
99	L	84.3	Confident	82.6	Confident	49 Å²	49	72.2 Å²	72.2	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-35.7	180	-75.3	-177.8	0	0	0	112.1	I81 T84 C95 R97 L103	I81-L99 HydrophobicContact CD1-CB 4.42Å; I81-L99 HydrophobicContact CG1-CB 4.31Å; I81-L99 HydrophobicContact CG2-CB 3.72Å; I81-L99 HydrophobicContact CG2-CD1 4.23Å; T84-L99 HydrophobicContact CG2-CD1 3.86Å; C95-L99 WeakPolarHBondContact O-CB 3.47Å; C95-L99 PolarHBondContact O-N 2.93Å; R97-L99 PolarHBondContact O-N 3.49Å; L99-L103 WeakPolarHBondContact O-CB 3.05Å; L99-L103 WeakPolarHBondContact O-CD1 3.42Å; L99-L103 WeakPolarHBondContact O-CG 3.22Å; L99-L103 PolarHBondContact O-N 3.39Å
100	T	85.2	Confident	82.8	Confident	29 Å²	29	66 Å²	66	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-52.9	176.5	-63.7	0	0	0	0	110.3	K96 R97 I98 F102 L103 D104	K96-T100 WeakPolarHBondContact O-CB 3.25Å; K96-T100 PolarHBondContact O-N 3.23Å; K96-T100 PolarHBondContact O-OG1 3.41Å; R97-T100 WeakPolarHBondContact O-CB 3.24Å; R97-T100 PolarHBondContact O-N 3.01Å; R97-T100 VanDerWaalsContact O-N 3.11Å; I98-T100 VanDerWaalsContact C-N 3.31Å; I98-T100 PolarHBondContact O-N 3.36Å; T100-F102 PolarHBondContact O-N 3.12Å; T100-L103 PolarHBondContact O-N 2.03Å; T100-D104 WeakPolarHBondContact CG2-OD2 3.13Å; T100-D104 VanDerWaalsContact O-CB 3.29Å; T100-D104 WeakPolarHBondContact O-CB 3.14Å; T100-D104 VanDerWaalsContact O-CG 3.31Å; T100-D104 PolarHBondContact O-N 3.34Å
101	E	81.9	Confident	82.9	Confident	83 Å²	83	62 Å²	62	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-45.4	179	-64.6	-61.9	156.2	0	0	111.9	R97 I98 L103 D104 Y105 M139	R97-E101 WeakPolarHBondContact O-CG 3.46Å; R97-E101 PolarHBondContact O-N 3.39Å; I98-E101 PolarHBondContact O-N 2.88Å; E101-L103 VanDerWaalsContact C-N 3.35Å; E101-L103 PolarHBondContact O-N 3.24Å; E101-D104 PolarHBondContact O-N 2.81Å; E101-Y105 WeakPolarHBondContact O-CB 3.32Å; E101-Y105 PolarHBondContact O-N 3.5Å; E101-M139 HydrophobicContact CB-SD 3.88Å; E101-M139 HydrophobicContact CG-SD 3.73Å
102	F	81.5	Confident	83.4	Confident	101 Å²	101	61.8 Å²	61.8	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-44.5	177.7	179.2	-94.2	0	0	0	112	I98 T100 A106 L136	I98-F102 VanDerWaalsContact O-CB 3.24Å; I98-F102 WeakPolarHBondContact O-CB 3.45Å; I98-F102 PolarHBondContact O-N 2.98Å; T100-F102 PolarHBondContact O-N 3.12Å; F102-A106 VanDerWaalsContact O-CB 3.29Å; F102-A106 WeakPolarHBondContact O-CB 3.41Å; F102-A106 PolarHBondContact O-N 3.23Å; F102-L136 HydrophobicContact CD2-CD1 4.29Å; F102-L136 HydrophobicContact CD2-CD2 3.99Å; F102-L136 HydrophobicContact CE2-CD2 4.13Å
103	L	82.5	Confident	83.5	Confident	48 Å²	48	61.8 Å²	61.8	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-75	-32.7	-178.9	-74	167.8	0	0	0	112.5	I77 I81 L99 T100 E101 A106 Y107	I77-L103 HydrophobicContact CG2-CB 3.64Å; I77-L103 HydrophobicContact CG2-CD1 3.75Å; I77-L103 HydrophobicContact CG2-CD2 3.88Å; I77-L103 HydrophobicContact CG2-CG 3.95Å; I81-L103 HydrophobicContact CD1-CB 4.34Å; I81-L103 HydrophobicContact CD1-CD1 3.42Å; I81-L103 VanDerWaalsContact CD1-CD1 3.42Å; I81-L103 HydrophobicContact CD1-CG 4.45Å; I81-L103 HydrophobicContact CG1-CD1 3.32Å; L99-L103 WeakPolarHBondContact O-CB 3.05Å; L99-L103 WeakPolarHBondContact O-CD1 3.42Å; L99-L103 WeakPolarHBondContact O-CG 3.22Å; L99-L103 PolarHBondContact O-N 3.39Å; T100-L103 PolarHBondContact O-N 2.03Å; E101-L103 VanDerWaalsContact C-N 3.35Å; E101-L103 PolarHBondContact O-N 3.24Å; L103-A106 PolarHBondContact O-N 2.9Å; L103-Y107 WeakPolarHBondContact O-CB 3.25Å; L103-Y107 PolarHBondContact O-N 3.3Å
104	D	86.1	Confident	83.5	Confident	30 Å²	30	56.7 Å²	56.7	16%	0.16	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-45.9	172.8	-79.4	-28.4	0	0	0	110.9	R74 H78 T100 E101 Y107 D108	R74-D104 WeakPolarHBondContact CD-OD1 3Å; R74-D104 IonicContact CZ-OD1 3.7Å; R74-D104 IonicContact NE-OD1 3.95Å; R74-D104 VanDerWaalsContact NH1-CG 3.28Å; R74-D104 IonicContact NH1-OD1 3.83Å; R74-D104 PolarHBondContact NH1-OD1 3.27Å; H78-D104 IonicContact CE1-OD1 3.13Å; H78-D104 PolarHBondContact CE1-OD1 3.47Å; H78-D104 IonicContact CE1-OD2 3.47Å; H78-D104 PolarHBondContact CE1-OD2 2.96Å; H78-D104 IonicContact NE2-OD1 3.27Å; H78-D104 PolarHBondContact NE2-OD1 3.33Å; T100-D104 WeakPolarHBondContact CG2-OD2 3.13Å; T100-D104 VanDerWaalsContact O-CB 3.29Å; T100-D104 WeakPolarHBondContact O-CB 3.14Å; T100-D104 VanDerWaalsContact O-CG 3.31Å; T100-D104 PolarHBondContact O-N 3.34Å; E101-D104 PolarHBondContact O-N 2.81Å; D104-Y107 WeakPolarHBondContact O-CB 2.98Å; D104-Y107 PolarHBondContact O-N 3.3Å; D104-D108 WeakPolarHBondContact O-CB 3.32Å; D104-D108 VanDerWaalsContact O-CG 3.24Å; D104-D108 PolarHBondContact O-N 3.08Å
105	Y	83.6	Confident	83.7	Confident	55 Å²	55	56.1 Å²	56.1	22%	0.216	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-46.7	172.3	179.1	-86.6	0	0	0	111.5	E101 Y107 D108 L109 I131 D132 F133 L136	E101-Y105 WeakPolarHBondContact O-CB 3.32Å; E101-Y105 PolarHBondContact O-N 3.5Å; Y105-Y107 VanDerWaalsContact C-N 3.28Å; Y105-Y107 PolarHBondContact O-N 2.77Å; Y105-D108 PolarHBondContact O-N 3.41Å; Y105-L109 HydrophobicContact CE1-CB 4.46Å; Y105-L109 HydrophobicContact CE1-CD1 4.32Å; Y105-L109 HydrophobicContact CE1-CD2 4.44Å; Y105-L109 VanDerWaalsContact O-CB 3.24Å; Y105-L109 WeakPolarHBondContact O-CB 3.14Å; Y105-L109 PolarHBondContact O-N 3.49Å; Y105-I131 WeakPolarHBondContact OH-CG2 3.08Å; Y105-D132 PolarHBondContact OH-O 2.97Å; Y105-D132 VanDerWaalsContact OH-O 3.07Å; Y105-F133 AromaticContact CE1-CD1 3.95Å; Y105-F133 HydrophobicContact CE1-CD1 3.95Å; Y105-F133 HydrophobicContact CE1-CE1 4.04Å; Y105-L136 HydrophobicContact CD1-CB 4.25Å; Y105-L136 HydrophobicContact CD1-CD1 4.35Å; Y105-L136 HydrophobicContact CD1-CD2 3.49Å; Y105-L136 VanDerWaalsContact CD1-CD2 3.49Å; Y105-L136 HydrophobicContact CD1-CG 4.22Å; Y105-L136 HydrophobicContact CD2-CB 4.06Å; Y105-L136 HydrophobicContact CE1-CB 4.23Å; Y105-L136 HydrophobicContact CE1-CD2 3.72Å; Y105-L136 HydrophobicContact CE2-CB 4.06Å; Y105-L136 HydrophobicContact CG-CB 4.15Å; Y105-L136 HydrophobicContact CG-CD1 4.06Å; Y105-L136 HydrophobicContact CG-CD2 4.04Å; Y105-L136 HydrophobicContact CG-CG 4.29Å
106	A	80.9	Confident	83.7	Confident	25 Å²	25	56.7 Å²	56.7	21%	0.207	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-38.1	178.7	0	0	0	0	0	111.7	F102 L103 I110	F102-A106 VanDerWaalsContact O-CB 3.29Å; F102-A106 WeakPolarHBondContact O-CB 3.41Å; F102-A106 PolarHBondContact O-N 3.23Å; L103-A106 PolarHBondContact O-N 2.9Å; A106-I110 WeakPolarHBondContact O-CB 3.42Å; A106-I110 WeakPolarHBondContact O-CD1 3.35Å; A106-I110 WeakPolarHBondContact O-CG1 3.04Å; A106-I110 PolarHBondContact O-N 2.82Å
107	Y	84.3	Confident	83.8	Confident	38 Å²	38	55.4 Å²	55.4	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-50.8	174.3	-175.9	-91.5	0	0	0	110.9	R74 I77 L103 D104 Y105 L109 I110 Y111	R74-Y107 HydrophobicContact CB-CE2 4.43Å; I77-Y107 HydrophobicContact CD1-CD2 3.48Å; I77-Y107 VanDerWaalsContact CD1-CD2 3.48Å; I77-Y107 HydrophobicContact CD1-CE2 4.17Å; I77-Y107 HydrophobicContact CD1-CG 4.38Å; L103-Y107 WeakPolarHBondContact O-CB 3.25Å; L103-Y107 PolarHBondContact O-N 3.3Å; D104-Y107 WeakPolarHBondContact O-CB 2.98Å; D104-Y107 PolarHBondContact O-N 3.3Å; Y105-Y107 VanDerWaalsContact C-N 3.28Å; Y105-Y107 PolarHBondContact O-N 2.77Å; Y107-L109 VanDerWaalsContact C-N 3.26Å; Y107-L109 PolarHBondContact O-N 3.36Å; Y107-I110 PolarHBondContact O-N 3.21Å; Y107-I110 VanDerWaalsContact O-N 3.17Å; Y107-Y111 AromaticContact CD1-CD2 3.99Å; Y107-Y111 HydrophobicContact CD1-CD2 3.99Å; Y107-Y111 AromaticContact CD2-CD2 3.72Å; Y107-Y111 HydrophobicContact CD2-CD2 3.72Å; Y107-Y111 AromaticContact CD2-CE2 3.64Å; Y107-Y111 HydrophobicContact CD2-CE2 3.64Å; Y107-Y111 AromaticContact CE1-CD2 3.74Å; Y107-Y111 HydrophobicContact CE1-CD2 3.74Å; Y107-Y111 HydrophobicContact CE1-CE2 4.2Å; Y107-Y111 HydrophobicContact CE1-CG 4.23Å; Y107-Y111 AromaticContact CE2-CD2 3.49Å; Y107-Y111 HydrophobicContact CE2-CD2 3.49Å; Y107-Y111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-Y111 AromaticContact CE2-CE2 3.13Å; Y107-Y111 HydrophobicContact CE2-CE2 3.13Å; Y107-Y111 AromaticContact CE2-CZ 4Å; Y107-Y111 AromaticContact CG-CD2 3.99Å; Y107-Y111 HydrophobicContact CG-CD2 3.99Å; Y107-Y111 HydrophobicContact CG-CE2 4.38Å; Y107-Y111 AromaticContact CZ-CD2 3.48Å; Y107-Y111 VanDerWaalsContact CZ-CD2 3.48Å; Y107-Y111 AromaticContact CZ-CE2 3.44Å; Y107-Y111 VanDerWaalsContact CZ-CE2 3.44Å; Y107-Y111 WeakPolarHBondContact O-CB 3.38Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.39Å; Y107-Y111 PolarHBondContact O-N 2.83Å
108	D	85.6	Confident	83.9	Confident	86 Å²	86	50.4 Å²	50.4	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-35.2	179.6	-69.2	-15.8	0	0	0	111.4	R74 D104 Y105 G112	R74-D108 IonicContact CZ-OD1 2.71Å; R74-D108 IonicContact NH1-OD1 2.71Å; R74-D108 IonicContact NH2-OD1 3.6Å; R74-D108 PolarHBondContact NH2-OD1 2.94Å; R74-D108 IonicContact NH2-OD2 3.6Å; D104-D108 WeakPolarHBondContact O-CB 3.32Å; D104-D108 VanDerWaalsContact O-CG 3.24Å; D104-D108 PolarHBondContact O-N 3.08Å; Y105-D108 PolarHBondContact O-N 3.41Å; D108-G112 VanDerWaalsContact O-CA 3.3Å; D108-G112 WeakPolarHBondContact O-CA 3.26Å; D108-G112 PolarHBondContact O-N 2.86Å
109	L	79.9	Confident	84.3	Confident	32 Å²	32	48.1 Å²	48.1	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-52.4	171.8	-168.9	82.1	0	0	0	111.1	Y105 Y107 Y111 G112 Y113 I131 F133	Y105-L109 HydrophobicContact CE1-CB 4.46Å; Y105-L109 HydrophobicContact CE1-CD1 4.32Å; Y105-L109 HydrophobicContact CE1-CD2 4.44Å; Y105-L109 VanDerWaalsContact O-CB 3.24Å; Y105-L109 WeakPolarHBondContact O-CB 3.14Å; Y105-L109 PolarHBondContact O-N 3.49Å; Y107-L109 VanDerWaalsContact C-N 3.26Å; Y107-L109 PolarHBondContact O-N 3.36Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.4Å; L109-G112 PolarHBondContact O-N 2.9Å; L109-Y113 HydrophobicContact CD1-CD2 3.77Å; L109-Y113 HydrophobicContact CD1-CE2 3.4Å; L109-Y113 VanDerWaalsContact CD1-CE2 3.4Å; L109-Y113 HydrophobicContact CG-CD2 4.06Å; L109-Y113 HydrophobicContact CG-CE2 4.21Å; L109-Y113 WeakPolarHBondContact O-CB 3.31Å; L109-Y113 VanDerWaalsContact O-CD2 3.25Å; L109-Y113 WeakPolarHBondContact O-CD2 3.38Å; L109-Y113 PolarHBondContact O-N 3.47Å; L109-I131 HydrophobicContact CD1-CD1 3.79Å; L109-I131 HydrophobicContact CD1-CG1 4.07Å; L109-I131 HydrophobicContact CD1-CG2 3.65Å; L109-I131 HydrophobicContact CD2-CD1 3.95Å; L109-I131 HydrophobicContact CG-CD1 4.26Å; L109-F133 HydrophobicContact CD2-CE1 4.33Å
110	I	82.3	Confident	84.6	Confident	52 Å²	52	46 Å²	46	27%	0.267	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-45.7	-179.7	-72	164.8	0	0	0	109.8	K67 A106 Y107 L118	K67-I110 WeakPolarHBondContact CE-O 3.45Å; K67-I110 HydrophobicContact CG-CG2 4.3Å; K67-I110 PolarHBondContact NZ-O 3.25Å; A106-I110 WeakPolarHBondContact O-CB 3.42Å; A106-I110 WeakPolarHBondContact O-CD1 3.35Å; A106-I110 WeakPolarHBondContact O-CG1 3.04Å; A106-I110 PolarHBondContact O-N 2.82Å; Y107-I110 PolarHBondContact O-N 3.21Å; Y107-I110 VanDerWaalsContact O-N 3.17Å; I110-L118 HydrophobicContact CG2-CD1 4.27Å
111	Y	84.2	Confident	84.6	Confident	75 Å²	75	47.8 Å²	47.8	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-82.8	-27.3	-175.3	-80.9	-85.2	0	0	0	114.4	K67 F71 Y107 L109	K67-Y111 HydrophobicContact CB-CE1 4.3Å; K67-Y111 PolarHBondContact O-OH 2.97Å; F71-Y111 HydrophobicContact CB-CE2 3.93Å; F71-Y111 WeakPolarHBondContact CB-OH 3.35Å; F71-Y111 PolarHBondContact O-OH 3.43Å; Y107-Y111 AromaticContact CD1-CD2 3.99Å; Y107-Y111 HydrophobicContact CD1-CD2 3.99Å; Y107-Y111 AromaticContact CD2-CD2 3.72Å; Y107-Y111 HydrophobicContact CD2-CD2 3.72Å; Y107-Y111 AromaticContact CD2-CE2 3.64Å; Y107-Y111 HydrophobicContact CD2-CE2 3.64Å; Y107-Y111 AromaticContact CE1-CD2 3.74Å; Y107-Y111 HydrophobicContact CE1-CD2 3.74Å; Y107-Y111 HydrophobicContact CE1-CE2 4.2Å; Y107-Y111 HydrophobicContact CE1-CG 4.23Å; Y107-Y111 AromaticContact CE2-CD2 3.49Å; Y107-Y111 HydrophobicContact CE2-CD2 3.49Å; Y107-Y111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-Y111 AromaticContact CE2-CE2 3.13Å; Y107-Y111 HydrophobicContact CE2-CE2 3.13Å; Y107-Y111 AromaticContact CE2-CZ 4Å; Y107-Y111 AromaticContact CG-CD2 3.99Å; Y107-Y111 HydrophobicContact CG-CD2 3.99Å; Y107-Y111 HydrophobicContact CG-CE2 4.38Å; Y107-Y111 AromaticContact CZ-CD2 3.48Å; Y107-Y111 VanDerWaalsContact CZ-CD2 3.48Å; Y107-Y111 AromaticContact CZ-CE2 3.44Å; Y107-Y111 VanDerWaalsContact CZ-CE2 3.44Å; Y107-Y111 WeakPolarHBondContact O-CB 3.38Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.39Å; Y107-Y111 PolarHBondContact O-N 2.83Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.4Å
112	G	85.6	Confident	84.8	Confident	67 Å²	67	46.2 Å²	46.2	69%	0.691	26%	0.262	S	S	*	.	H	α-helix	trans	-75.4	-27.3	177.7	0	0	0	0	0	113.6	D108 L109	D108-G112 VanDerWaalsContact O-CA 3.3Å; D108-G112 WeakPolarHBondContact O-CA 3.26Å; D108-G112 PolarHBondContact O-N 2.86Å; L109-G112 PolarHBondContact O-N 2.9Å
113	Y	86	Confident	85.1	Confident	61 Å²	61	42.8 Å²	42.8	24%	0.239	26%	0.256	C	S	.	.	S	Bend	trans	-92.3	153.1	177.8	-79.5	-84	0	0	0	112.3	K67 L109 D117 P129 K130 I131	K67-Y113 PolarHBondContact NZ-O 3.48Å; L109-Y113 HydrophobicContact CD1-CD2 3.77Å; L109-Y113 HydrophobicContact CD1-CE2 3.4Å; L109-Y113 VanDerWaalsContact CD1-CE2 3.4Å; L109-Y113 HydrophobicContact CG-CD2 4.06Å; L109-Y113 HydrophobicContact CG-CE2 4.21Å; L109-Y113 WeakPolarHBondContact O-CB 3.31Å; L109-Y113 VanDerWaalsContact O-CD2 3.25Å; L109-Y113 WeakPolarHBondContact O-CD2 3.38Å; L109-Y113 PolarHBondContact O-N 3.47Å; Y113-D117 HydrophobicContact CD1-CB 3.61Å; Y113-D117 HydrophobicContact CG-CB 4.21Å; Y113-P129 HydrophobicContact CD1-CB 4.14Å; Y113-P129 HydrophobicContact CD1-CG 3.77Å; Y113-P129 HydrophobicContact CE1-CB 3.49Å; Y113-P129 VanDerWaalsContact CE1-CB 3.49Å; Y113-P129 HydrophobicContact CE1-CG 3.49Å; Y113-P129 VanDerWaalsContact CE1-CG 3.49Å; Y113-K130 PolarHBondContact OH-O 2.84Å; Y113-I131 HydrophobicContact CE2-CG1 4.14Å
114	S	84.9	Confident	85.3	Confident	54 Å²	54	43 Å²	43	38%	0.378	26%	0.257	S	S	.	.			trans	-72.6	164.2	172.4	74.6	0	0	0	0	111.2	A116 D117 L118	S114-A116 PolarHBondContact O-N 3.31Å; S114-A116 WeakPolarHBondContact OG-CB 3.36Å; S114-A116 PolarHBondContact OG-N 3.37Å; S114-D117 VanDerWaalsContact CB-OD2 3.26Å; S114-D117 WeakPolarHBondContact CB-OD2 3.47Å; S114-D117 PolarHBondContact N-OD2 2.99Å; S114-D117 PolarHBondContact O-N 3.22Å; S114-D117 PolarHBondContact OG-N 3.27Å; S114-D117 VanDerWaalsContact OG-N 3.15Å; S114-D117 PolarHBondContact OG-OD2 3.02Å; S114-L118 PolarHBondContact O-N 2.98Å
115	S	84.3	Confident	85.4	Confident	19 Å²	19	42 Å²	42	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-30.9	170.7	-57	0	0	0	0	111.9	K60 W64 C119	K60-S115 WeakPolarHBondContact O-CB 3.41Å; W64-S115 PolarHBondContact N-OG 2.92Å; S115-C119 WeakPolarHBondContact O-CB 3.03Å; S115-C119 PolarHBondContact O-N 3.26Å; S115-C119 VanDerWaalsContact O-N 3.14Å; S115-C119 PolarHBondContact O-SG 2.72Å
116	A	83.8	Confident	85.6	Confident	31 Å²	31	46.1 Å²	46.1	26%	0.256	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-44.8	176.8	0	0	0	0	0	111.6	K60 S114 C119 A120	K60-A116 HydrophobicContact CD-CB 4.32Å; K60-A116 VanDerWaalsContact CE-CB 3.43Å; K60-A116 HydrophobicContact CG-CB 4.38Å; S114-A116 PolarHBondContact O-N 3.31Å; S114-A116 WeakPolarHBondContact OG-CB 3.36Å; S114-A116 PolarHBondContact OG-N 3.37Å; A116-C119 PolarHBondContact O-N 2.91Å; A116-A120 WeakPolarHBondContact O-CB 3.29Å; A116-A120 PolarHBondContact O-N 3.34Å
117	D	88.5	Confident	85.8	Confident	48 Å²	48	51.4 Å²	51.4	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-47.2	-179.2	-66.8	-37.8	0	0	0	112.2	Y113 S114 C119 A120 L121 P129	Y113-D117 HydrophobicContact CD1-CB 3.61Å; Y113-D117 HydrophobicContact CG-CB 4.21Å; S114-D117 VanDerWaalsContact CB-OD2 3.26Å; S114-D117 WeakPolarHBondContact CB-OD2 3.47Å; S114-D117 PolarHBondContact N-OD2 2.99Å; S114-D117 PolarHBondContact O-N 3.22Å; S114-D117 PolarHBondContact OG-N 3.27Å; S114-D117 VanDerWaalsContact OG-N 3.15Å; S114-D117 PolarHBondContact OG-OD2 3.02Å; D117-C119 VanDerWaalsContact C-N 3.33Å; D117-C119 PolarHBondContact O-N 2.02Å; D117-A120 WeakPolarHBondContact O-CB 3.4Å; D117-A120 PolarHBondContact O-N 3.45Å; D117-A120 VanDerWaalsContact O-N 3.1Å; D117-L121 WeakPolarHBondContact O-CG 3.4Å; D117-L121 PolarHBondContact O-N 2.92Å; D117-P129 HydrophobicContact CB-CG 3.91Å
118	L	86.1	Confident	85.8	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.141	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-39.7	176.4	-67.4	179.5	0	0	0	112.1	L63 K67 I110 S114 A120 L121 A122	L63-L118 HydrophobicContact CD1-CB 3.44Å; L63-L118 VanDerWaalsContact CD1-CB 3.44Å; L63-L118 HydrophobicContact CD1-CD1 4.13Å; L63-L118 HydrophobicContact CD1-CG 4.46Å; K67-L118 VanDerWaalsContact NZ-CD1 3.35Å; I110-L118 HydrophobicContact CG2-CD1 4.27Å; S114-L118 PolarHBondContact O-N 2.98Å; L118-A120 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 2.85Å; L118-L121 HydrophobicContact CD2-CD1 4.25Å; L118-L121 PolarHBondContact O-N 3.38Å; L118-A122 PolarHBondContact O-N 2.89Å; L118-A122 VanDerWaalsContact O-N 3.08Å
119	C	89	Confident	85.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-33.9	173.5	-66.4	0	0	0	0	112.4	C59 K60 L63 S115 A116 D117 A122 G123 I124 C125	C59-C119 HydrophobicContact CB-CB 3.95Å; C59-C119 WeakPolarHBondContact CB-SG 3.07Å; C59-C119 VanDerWaalsContact SG-CA 3.55Å; C59-C119 WeakPolarHBondContact SG-CB 3.25Å; C59-C119 CovalentContact SG-SG 2.03Å; C59-C119 PolarHBondContact SG-SG 3.15Å; K60-C119 PolarHBondContact N-SG 2.96Å; L63-C119 WeakPolarHBondContact CD1-SG 3.29Å; S115-C119 WeakPolarHBondContact O-CB 3.03Å; S115-C119 PolarHBondContact O-N 3.26Å; S115-C119 VanDerWaalsContact O-N 3.14Å; S115-C119 PolarHBondContact O-SG 2.72Å; A116-C119 PolarHBondContact O-N 2.91Å; D117-C119 VanDerWaalsContact C-N 3.33Å; D117-C119 PolarHBondContact O-N 2.02Å; C119-A122 PolarHBondContact O-N 2.94Å; C119-G123 PolarHBondContact O-N 2.96Å; C119-I124 HydrophobicContact CB-CB 4.45Å; C119-I124 WeakPolarHBondContact O-CA 3.18Å; C119-I124 WeakPolarHBondContact O-CB 3.22Å; C119-I124 PolarHBondContact O-N 3.44Å; C119-C125 HydrophobicContact CB-CB 4.08Å; C119-C125 WeakPolarHBondContact CB-SG 3.4Å; C119-C125 PolarHBondContact O-N 2.86Å; C119-C125 VanDerWaalsContact O-N 3.13Å
120	A	89.7	Confident	85.8	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-70.5	-38.8	176.9	0	0	0	0	0	111.3	A116 D117 L118 A122 G123 C125 P128	A116-A120 WeakPolarHBondContact O-CB 3.29Å; A116-A120 PolarHBondContact O-N 3.34Å; D117-A120 WeakPolarHBondContact O-CB 3.4Å; D117-A120 PolarHBondContact O-N 3.45Å; D117-A120 VanDerWaalsContact O-N 3.1Å; L118-A120 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 2.85Å; A120-A122 VanDerWaalsContact C-N 3.26Å; A120-A122 PolarHBondContact O-N 3.48Å; A120-G123 WeakPolarHBondContact O-CA 3.44Å; A120-G123 PolarHBondContact O-N 3.16Å; A120-C125 WeakPolarHBondContact CA-O 3.34Å; A120-C125 HydrophobicContact CB-CB 3.9Å; A120-P128 HydrophobicContact CB-CB 4.22Å
121	L	86.3	Confident	85.8	Confident	67 Å²	67	57.8 Å²	57.8	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-35.2	171.1	-72.2	162.2	0	0	0	112.8	D117 L118 G123 P128 P129 I131	D117-L121 WeakPolarHBondContact O-CG 3.4Å; D117-L121 PolarHBondContact O-N 2.92Å; L118-L121 HydrophobicContact CD2-CD1 4.25Å; L118-L121 PolarHBondContact O-N 3.38Å; L121-G123 PolarHBondContact O-N 3.14Å; L121-P128 HydrophobicContact CD2-CB 4.28Å; L121-P129 HydrophobicContact CD1-CG 3.98Å; L121-P129 HydrophobicContact CD2-CG 4.16Å; L121-P129 HydrophobicContact CG-CG 3.95Å; L121-I131 HydrophobicContact CD1-CD1 3.21Å; L121-I131 HydrophobicContact CD1-CG1 4.05Å; L121-I131 HydrophobicContact CD2-CD1 3.58Å; L121-I131 HydrophobicContact CD2-CG1 4.02Å; L121-I131 HydrophobicContact CG-CD1 4.01Å
122	A	86.6	Confident	85.8	Confident	50 Å²	50	58.6 Å²	58.6	41%	0.413	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	1.7	172.6	0	0	0	0	0	113.6	L118 C119 A120 I124	L118-A122 PolarHBondContact O-N 2.89Å; L118-A122 VanDerWaalsContact O-N 3.08Å; C119-A122 PolarHBondContact O-N 2.94Å; A120-A122 VanDerWaalsContact C-N 3.26Å; A120-A122 PolarHBondContact O-N 3.48Å; A122-I124 HydrophobicContact CB-CD1 3.95Å; A122-I124 HydrophobicContact CB-CG1 4.04Å; A122-I124 PolarHBondContact O-N 3.14Å
123	G	85.9	Confident	85.8	Confident	30 Å²	30	59.4 Å²	59.4	31%	0.309	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	9.9	-177.7	0	0	0	0	0	114.6	L46 C119 A120 L121	L46-G123 WeakPolarHBondContact CD1-O 3.46Å; L46-G123 WeakPolarHBondContact CD2-O 3.31Å; C119-G123 PolarHBondContact O-N 2.96Å; A120-G123 WeakPolarHBondContact O-CA 3.44Å; A120-G123 PolarHBondContact O-N 3.16Å; L121-G123 PolarHBondContact O-N 3.14Å
124	I	88.6	Confident	86	Confident	52 Å²	52	56.5 Å²	56.5	27%	0.267	31%	0.314	S	S	.	.	S	Bend	trans	-87.2	-37.4	-177.1	-54.7	172.1	0	0	0	110.6	N53 S55 C56 C59 C119 A122	N53-I124 PolarHBondContact ND2-O 3.18Å; S55-I124 WeakPolarHBondContact O-CG2 2.99Å; C56-I124 HydrophobicContact CB-CG2 4.44Å; C59-I124 HydrophobicContact CB-CD1 4.05Å; C59-I124 HydrophobicContact CB-CG2 3.94Å; C119-I124 HydrophobicContact CB-CB 4.45Å; C119-I124 WeakPolarHBondContact O-CA 3.18Å; C119-I124 WeakPolarHBondContact O-CB 3.22Å; C119-I124 PolarHBondContact O-N 3.44Å; A122-I124 HydrophobicContact CB-CD1 3.95Å; A122-I124 HydrophobicContact CB-CG1 4.04Å; A122-I124 PolarHBondContact O-N 3.14Å
125	C	87.2	Confident	86.1	Confident	10 Å²	10	56.7 Å²	56.7	7%	0.068	31%	0.314	C	S	.	.	S	Bend	trans	-105.8	160.3	173	-63.1	0	0	0	0	110.8	C56 C119 A120	C56-C125 VanDerWaalsContact CA-SG 3.52Å; C56-C125 HydrophobicContact CB-CB 4.08Å; C56-C125 WeakPolarHBondContact CB-SG 3.31Å; C56-C125 WeakPolarHBondContact SG-CB 3.22Å; C56-C125 CovalentContact SG-SG 2.03Å; C56-C125 PolarHBondContact SG-SG 3.4Å; C119-C125 HydrophobicContact CB-CB 4.08Å; C119-C125 WeakPolarHBondContact CB-SG 3.4Å; C119-C125 PolarHBondContact O-N 2.86Å; C119-C125 VanDerWaalsContact O-N 3.13Å; A120-C125 WeakPolarHBondContact CA-O 3.34Å; A120-C125 HydrophobicContact CB-CB 3.9Å
126	E	87.8	Confident	86.2	Confident	140 Å²	140	56.8 Å²	56.8	65%	0.654	31%	0.313	S	S	*	.	S	Bend	trans	-75.5	159.3	174.4	-64.6	177.7	-175.8	0	0	111.7
127	N	86	Confident	86.4	Confident	137 Å²	137	56 Å²	56	73%	0.733	31%	0.305	S	S	*	.	S	Bend	trans	59.5	65.3	173.8	-53.7	-52.7	0	0	0	114
128	P	84	Confident	86.5	Confident	78 Å²	78	54.7 Å²	54.7	51%	0.506	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-56	135.4	171.7	23.6	-32.2	0	0	0	110.3	A120 L121	A120-P128 HydrophobicContact CB-CB 4.22Å; L121-P128 HydrophobicContact CD2-CB 4.28Å
129	P	83.4	Confident	86.6	Confident	31 Å²	31	57.5 Å²	57.5	20%	0.201	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.3	154.3	167.9	31.7	-40.4	0	0	0	110.1	Y113 D117 L121 I131	Y113-P129 HydrophobicContact CD1-CB 4.14Å; Y113-P129 HydrophobicContact CD1-CG 3.77Å; Y113-P129 HydrophobicContact CE1-CB 3.49Å; Y113-P129 VanDerWaalsContact CE1-CB 3.49Å; Y113-P129 HydrophobicContact CE1-CG 3.49Å; Y113-P129 VanDerWaalsContact CE1-CG 3.49Å; D117-P129 HydrophobicContact CB-CG 3.91Å; L121-P129 HydrophobicContact CD1-CG 3.98Å; L121-P129 HydrophobicContact CD2-CG 4.16Å; L121-P129 HydrophobicContact CG-CG 3.95Å; P129-I131 PolarHBondContact O-N 3.34Å
130	K	82.6	Confident	86.4	Confident	203 Å²	203	59.5 Å²	59.5	88%	0.883	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-77.8	119.2	164.5	-64.6	-177.3	-179.9	-178.1	0	107.7	Y113	Y113-K130 PolarHBondContact OH-O 2.84Å
131	I	80.6	Confident	86.4	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.149	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-95.9	129.3	168.3	-62.1	171.7	0	0	0	107.7	Y105 L109 Y113 L121 P129 F133	Y105-I131 WeakPolarHBondContact OH-CG2 3.08Å; L109-I131 HydrophobicContact CD1-CD1 3.79Å; L109-I131 HydrophobicContact CD1-CG1 4.07Å; L109-I131 HydrophobicContact CD1-CG2 3.65Å; L109-I131 HydrophobicContact CD2-CD1 3.95Å; L109-I131 HydrophobicContact CG-CD1 4.26Å; Y113-I131 HydrophobicContact CE2-CG1 4.14Å; L121-I131 HydrophobicContact CD1-CD1 3.21Å; L121-I131 HydrophobicContact CD1-CG1 4.05Å; L121-I131 HydrophobicContact CD2-CD1 3.58Å; L121-I131 HydrophobicContact CD2-CG1 4.02Å; L121-I131 HydrophobicContact CG-CD1 4.01Å; P129-I131 PolarHBondContact O-N 3.34Å; I131-F133 HydrophobicContact CB-CD2 3.96Å; I131-F133 HydrophobicContact CB-CE2 3.53Å; I131-F133 HydrophobicContact CB-CZ 3.9Å; I131-F133 HydrophobicContact CD1-CE2 4.03Å; I131-F133 HydrophobicContact CD1-CZ 3.7Å; I131-F133 HydrophobicContact CG1-CE2 4.38Å; I131-F133 HydrophobicContact CG1-CZ 4.43Å; I131-F133 HydrophobicContact CG2-CD1 3.98Å; I131-F133 HydrophobicContact CG2-CD2 3.73Å; I131-F133 HydrophobicContact CG2-CE1 3.78Å; I131-F133 HydrophobicContact CG2-CE2 3.53Å; I131-F133 HydrophobicContact CG2-CG 3.96Å; I131-F133 HydrophobicContact CG2-CZ 3.56Å; I131-F133 PolarHBondContact O-N 3.16Å
132	D	85.1	Confident	86.5	Confident	93 Å²	93	62.2 Å²	62.2	50%	0.497	34%	0.338	S	S	.	.			trans	-86	95.9	169.6	-173.5	7.2	0	0	0	109.9	Y105 C134	Y105-D132 PolarHBondContact OH-O 2.97Å; Y105-D132 VanDerWaalsContact OH-O 3.07Å; D132-C134 WeakPolarHBondContact OD1-CB 3.26Å; D132-C134 PolarHBondContact OD1-N 2.86Å
133	F	85.3	Confident	86.5	Confident	83 Å²	83	61.2 Å²	61.2	36%	0.364	33%	0.325	S	S	.	.			trans	-82.5	-1.7	175.5	-70.3	-76	0	0	0	112.9	Y105 L109 I131 L136 C137 M204	Y105-F133 AromaticContact CE1-CD1 3.95Å; Y105-F133 HydrophobicContact CE1-CD1 3.95Å; Y105-F133 HydrophobicContact CE1-CE1 4.04Å; L109-F133 HydrophobicContact CD2-CE1 4.33Å; I131-F133 HydrophobicContact CB-CD2 3.96Å; I131-F133 HydrophobicContact CB-CE2 3.53Å; I131-F133 HydrophobicContact CB-CZ 3.9Å; I131-F133 HydrophobicContact CD1-CE2 4.03Å; I131-F133 HydrophobicContact CD1-CZ 3.7Å; I131-F133 HydrophobicContact CG1-CE2 4.38Å; I131-F133 HydrophobicContact CG1-CZ 4.43Å; I131-F133 HydrophobicContact CG2-CD1 3.98Å; I131-F133 HydrophobicContact CG2-CD2 3.73Å; I131-F133 HydrophobicContact CG2-CE1 3.78Å; I131-F133 HydrophobicContact CG2-CE2 3.53Å; I131-F133 HydrophobicContact CG2-CG 3.96Å; I131-F133 HydrophobicContact CG2-CZ 3.56Å; I131-F133 PolarHBondContact O-N 3.16Å; F133-L136 PolarHBondContact O-N 3.37Å; F133-C137 WeakPolarHBondContact O-CB 3.43Å; F133-C137 PolarHBondContact O-N 3.37Å; F133-M204 HydrophobicContact CB-CB 4.35Å
134	C	90.4	Very high	86.5	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-48.7	-175.9	-176.2	0	0	0	0	112.7	D132 L136 C137 L138 M204 C205 Y209	D132-C134 WeakPolarHBondContact OD1-CB 3.26Å; D132-C134 PolarHBondContact OD1-N 2.86Å; C134-L136 VanDerWaalsContact C-N 3.33Å; C134-L136 PolarHBondContact O-N 2.63Å; C134-C137 PolarHBondContact O-N 2.74Å; C134-C137 VanDerWaalsContact O-N 3.15Å; C134-L138 WeakPolarHBondContact O-CG 3.24Å; C134-L138 PolarHBondContact O-N 2.93Å; C134-M204 WeakPolarHBondContact CA-O 3.48Å; C134-M204 VanDerWaalsContact CB-O 3.29Å; C134-M204 WeakPolarHBondContact CB-O 3.44Å; C134-M204 PolarHBondContact N-O 2.83Å; C134-C205 WeakPolarHBondContact CA-SG 3.47Å; C134-C205 HydrophobicContact CB-CB 3.91Å; C134-C205 WeakPolarHBondContact CB-SG 3.4Å; C134-C205 WeakPolarHBondContact SG-CB 3.39Å; C134-C205 CovalentContact SG-SG 2.02Å; C134-C205 PolarHBondContact SG-SG 3.31Å; C134-Y209 HydrophobicContact CB-CD2 4.47Å; C134-Y209 HydrophobicContact CB-CE2 4.36Å; C134-Y209 VanDerWaalsContact SG-CD2 3.53Å
135	P	87.9	Confident	86.5	Confident	58 Å²	58	61.3 Å²	61.3	38%	0.377	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-40.9	-178.8	-23.3	35.1	0	0	0	112.9	M139	P135-M139 WeakPolarHBondContact O-CB 3.28Å; P135-M139 PolarHBondContact O-N 2.8Å; P135-M139 VanDerWaalsContact O-N 3.14Å
136	L	84.6	Confident	86.5	Confident	21 Å²	21	65 Å²	65	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-43.4	176.7	176	66.1	0	0	0	111	F102 Y105 F133 C134 S140	F102-L136 HydrophobicContact CD2-CD1 4.29Å; F102-L136 HydrophobicContact CD2-CD2 3.99Å; F102-L136 HydrophobicContact CE2-CD2 4.13Å; Y105-L136 HydrophobicContact CD1-CB 4.25Å; Y105-L136 HydrophobicContact CD1-CD1 4.35Å; Y105-L136 HydrophobicContact CD1-CD2 3.49Å; Y105-L136 VanDerWaalsContact CD1-CD2 3.49Å; Y105-L136 HydrophobicContact CD1-CG 4.22Å; Y105-L136 HydrophobicContact CD2-CB 4.06Å; Y105-L136 HydrophobicContact CE1-CB 4.23Å; Y105-L136 HydrophobicContact CE1-CD2 3.72Å; Y105-L136 HydrophobicContact CE2-CB 4.06Å; Y105-L136 HydrophobicContact CG-CB 4.15Å; Y105-L136 HydrophobicContact CG-CD1 4.06Å; Y105-L136 HydrophobicContact CG-CD2 4.04Å; Y105-L136 HydrophobicContact CG-CG 4.29Å; F133-L136 PolarHBondContact O-N 3.37Å; C134-L136 VanDerWaalsContact C-N 3.33Å; C134-L136 PolarHBondContact O-N 2.63Å; L136-S140 VanDerWaalsContact O-CB 3.26Å; L136-S140 WeakPolarHBondContact O-CB 3.29Å; L136-S140 PolarHBondContact O-N 3.4Å; L136-S140 PolarHBondContact O-OG 3.07Å
137	C	89.5	Confident	86.3	Confident	13 Å²	13	60.2 Å²	60.2	9%	0.088	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-49.9	179.4	-177.6	0	0	0	0	111	F133 C134 M139 S140 V141 C199 M204	F133-C137 WeakPolarHBondContact O-CB 3.43Å; F133-C137 PolarHBondContact O-N 3.37Å; C134-C137 PolarHBondContact O-N 2.74Å; C134-C137 VanDerWaalsContact O-N 3.15Å; C137-M139 VanDerWaalsContact C-N 3.33Å; C137-M139 PolarHBondContact O-N 3.18Å; C137-S140 PolarHBondContact O-N 3.08Å; C137-S140 VanDerWaalsContact O-N 3.16Å; C137-V141 VanDerWaalsContact O-CG2 3.32Å; C137-V141 WeakPolarHBondContact O-CG2 3.43Å; C137-V141 PolarHBondContact O-N 3.33Å; C137-C199 HydrophobicContact CB-CB 3.85Å; C137-C199 WeakPolarHBondContact CB-SG 3.46Å; C137-C199 PolarHBondContact O-SG 3.37Å; C137-C199 WeakPolarHBondContact SG-CA 3.14Å; C137-C199 WeakPolarHBondContact SG-CB 3.41Å; C137-C199 CovalentContact SG-SG 2.03Å; C137-C199 PolarHBondContact SG-SG 3.16Å; C137-M204 HydrophobicContact CB-CB 3.97Å; C137-M204 HydrophobicContact CB-CG 4.5Å; C137-M204 HydrophobicContact CB-SD 3.72Å
138	L	90.9	Very high	86.3	Confident	22 Å²	22	57.6 Å²	57.6	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-56.9	-48.9	-179	-70.2	173.6	0	0	0	111.1	C134 S140 V141 E142 P195 H196 C199 Y209	C134-L138 WeakPolarHBondContact O-CG 3.24Å; C134-L138 PolarHBondContact O-N 2.93Å; L138-S140 PolarHBondContact O-N 3.37Å; L138-V141 PolarHBondContact O-N 2.88Å; L138-E142 VanDerWaalsContact O-CB 3.25Å; L138-E142 WeakPolarHBondContact O-CB 3.08Å; L138-E142 PolarHBondContact O-N 3.37Å; L138-P195 HydrophobicContact CD2-CB 3.8Å; L138-H196 HydrophobicContact CD2-CB 4.44Å; L138-C199 HydrophobicContact CD2-CB 4.25Å; L138-C199 PolarHBondContact N-SG 3.02Å; L138-C199 VanDerWaalsContact N-SG 3.39Å; L138-Y209 HydrophobicContact CD1-CD1 3.9Å; L138-Y209 HydrophobicContact CD1-CE1 3.3Å
139	M	86.4	Confident	86.5	Confident	85 Å²	85	55.3 Å²	55.3	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-43.4	178.1	-172	-177.5	-68.6	0	0	111.9	E101 P135 C137 E142 E143	E101-M139 HydrophobicContact CB-SD 3.88Å; E101-M139 HydrophobicContact CG-SD 3.73Å; P135-M139 WeakPolarHBondContact O-CB 3.28Å; P135-M139 PolarHBondContact O-N 2.8Å; P135-M139 VanDerWaalsContact O-N 3.14Å; C137-M139 VanDerWaalsContact C-N 3.33Å; C137-M139 PolarHBondContact O-N 3.18Å; M139-E142 PolarHBondContact O-N 2.93Å; M139-E143 WeakPolarHBondContact O-CB 3.12Å; M139-E143 PolarHBondContact O-N 3.44Å
140	S	85.5	Confident	86.8	Confident	42 Å²	42	55.8 Å²	55.8	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-41.6	-179.1	-60.8	0	0	0	0	112.2	L136 C137 L138 G144	L136-S140 VanDerWaalsContact O-CB 3.26Å; L136-S140 WeakPolarHBondContact O-CB 3.29Å; L136-S140 PolarHBondContact O-N 3.4Å; L136-S140 PolarHBondContact O-OG 3.07Å; C137-S140 PolarHBondContact O-N 3.08Å; C137-S140 VanDerWaalsContact O-N 3.16Å; L138-S140 PolarHBondContact O-N 3.37Å; S140-G144 PolarHBondContact O-N 2.77Å
141	V	89.7	Confident	87.1	Confident	28 Å²	28	52 Å²	52	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-70.7	-40.5	178	178.4	0	0	0	0	110.6	C137 L138 E143 G144 K145 P195 I198	C137-V141 VanDerWaalsContact O-CG2 3.32Å; C137-V141 WeakPolarHBondContact O-CG2 3.43Å; C137-V141 PolarHBondContact O-N 3.33Å; L138-V141 PolarHBondContact O-N 2.88Å; V141-E143 VanDerWaalsContact C-N 3.34Å; V141-E143 PolarHBondContact O-N 3.45Å; V141-G144 PolarHBondContact O-N 3.37Å; V141-K145 WeakPolarHBondContact O-CB 3.47Å; V141-K145 PolarHBondContact O-N 2.89Å; V141-P195 HydrophobicContact CB-CB 4.25Å; V141-P195 HydrophobicContact CG1-CB 4.22Å; V141-P195 HydrophobicContact CG1-CG 4.23Å; V141-I198 HydrophobicContact CG1-CB 4.08Å; V141-I198 HydrophobicContact CG1-CG1 4.16Å; V141-I198 HydrophobicContact CG1-CG2 4.31Å; V141-I198 HydrophobicContact CG2-CB 4.15Å; V141-I198 HydrophobicContact CG2-CG2 3.64Å
142	E	89.7	Confident	87.4	Confident	101 Å²	101	54.2 Å²	54.2	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-46.6	175.1	-177.2	171.2	-159.7	0	0	111.3	L138 M139 K145 N146 P195	L138-E142 VanDerWaalsContact O-CB 3.25Å; L138-E142 WeakPolarHBondContact O-CB 3.08Å; L138-E142 PolarHBondContact O-N 3.37Å; M139-E142 PolarHBondContact O-N 2.93Å; E142-K145 WeakPolarHBondContact O-CB 3.44Å; E142-K145 PolarHBondContact O-N 2.9Å; E142-N146 WeakPolarHBondContact O-CB 3.16Å; E142-N146 PolarHBondContact O-N 3.14Å; E142-N146 PolarHBondContact O-ND2 2.92Å; E142-P195 HydrophobicContact CB-CG 4.03Å
143	E	85.2	Confident	87.4	Confident	29 Å²	29	53.1 Å²	53.1	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-69.6	-38.8	-179.4	-141.9	60.8	-169.9	0	0	112.1	R97 I98 M139 V141 N146 I147	R97-E143 WeakPolarHBondContact CD-OE1 3.24Å; R97-E143 IonicContact CZ-OE1 2.63Å; R97-E143 IonicContact NE-OE1 4Å; R97-E143 PolarHBondContact NE-OE1 3.2Å; R97-E143 IonicContact NH1-OE1 3.37Å; R97-E143 PolarHBondContact NH1-OE1 2.06Å; I98-E143 HydrophobicContact CD1-CB 4.08Å; I98-E143 HydrophobicContact CD1-CG 4.21Å; I98-E143 HydrophobicContact CG1-CB 3.77Å; I98-E143 HydrophobicContact CG1-CG 3.7Å; M139-E143 WeakPolarHBondContact O-CB 3.12Å; M139-E143 PolarHBondContact O-N 3.44Å; V141-E143 VanDerWaalsContact C-N 3.34Å; V141-E143 PolarHBondContact O-N 3.45Å; E143-N146 PolarHBondContact O-N 3.34Å; E143-I147 WeakPolarHBondContact O-CD1 3.23Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.22Å; E143-I147 PolarHBondContact O-N 3.49Å
144	G	85.9	Confident	87.7	Confident	29 Å²	29	50 Å²	50	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-43.5	171.5	0	0	0	0	0	112.4	S140 V141 I147 L148	S140-G144 PolarHBondContact O-N 2.77Å; V141-G144 PolarHBondContact O-N 3.37Å; G144-I147 PolarHBondContact O-N 2.92Å; G144-L148 VanDerWaalsContact O-CB 3.31Å; G144-L148 WeakPolarHBondContact O-CB 3.32Å; G144-L148 PolarHBondContact O-N 3.47Å
145	K	88.6	Confident	87.7	Confident	55 Å²	55	54.5 Å²	54.5	24%	0.239	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.7	175.7	-175.7	-176	171.3	0	111.1	V141 E142 I147 L148 L149 V193	V141-K145 WeakPolarHBondContact O-CB 3.47Å; V141-K145 PolarHBondContact O-N 2.89Å; E142-K145 WeakPolarHBondContact O-CB 3.44Å; E142-K145 PolarHBondContact O-N 2.9Å; K145-I147 PolarHBondContact O-N 3.34Å; K145-L148 PolarHBondContact O-N 3.39Å; K145-L149 HydrophobicContact CD-CD1 4.28Å; K145-L149 HydrophobicContact CG-CD1 3.57Å; K145-L149 HydrophobicContact CG-CG 4.21Å; K145-L149 WeakPolarHBondContact O-CB 3.19Å; K145-L149 WeakPolarHBondContact O-CG 3.39Å; K145-L149 PolarHBondContact O-N 2.89Å; K145-V193 HydrophobicContact CB-CG2 4.32Å; K145-V193 HydrophobicContact CD-CG2 4.19Å; K145-V193 WeakPolarHBondContact CD-O 3.45Å; K145-V193 HydrophobicContact CG-CG2 3.8Å
146	N	87.6	Confident	87.7	Confident	88 Å²	88	57.7 Å²	57.7	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-33.5	180	-72.7	-26.9	0	0	0	112.4	E142 E143 S150	E142-N146 WeakPolarHBondContact O-CB 3.16Å; E142-N146 PolarHBondContact O-N 3.14Å; E142-N146 PolarHBondContact O-ND2 2.92Å; E143-N146 PolarHBondContact O-N 3.34Å; N146-S150 PolarHBondContact O-N 3.3Å
147	I	83	Confident	87.9	Confident	39 Å²	39	61 Å²	61	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-74.2	-51.6	173.7	-60.2	160.7	0	0	0	110.4	I91 P94 I98 E143 G144 K145 L149 S150	I91-I147 HydrophobicContact CG2-CG2 4.15Å; P94-I147 HydrophobicContact CB-CD1 3.26Å; P94-I147 HydrophobicContact CB-CG1 3.42Å; P94-I147 VanDerWaalsContact CB-CG1 3.42Å; P94-I147 HydrophobicContact CG-CD1 4.25Å; P94-I147 HydrophobicContact CG-CG1 3.94Å; I98-I147 HydrophobicContact CD1-CD1 3.53Å; E143-I147 WeakPolarHBondContact O-CD1 3.23Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.22Å; E143-I147 PolarHBondContact O-N 3.49Å; G144-I147 PolarHBondContact O-N 2.92Å; K145-I147 PolarHBondContact O-N 3.34Å; I147-L149 VanDerWaalsContact C-N 3.29Å; I147-L149 PolarHBondContact O-N 3.43Å; I147-S150 WeakPolarHBondContact O-CB 3.44Å; I147-S150 PolarHBondContact O-N 2.92Å; I147-S150 PolarHBondContact O-OG 2.6Å
148	L	85.8	Confident	88	Confident	82 Å²	82	62.3 Å²	62.3	43%	0.429	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-37.2	-173.6	-172.1	73.5	0	0	0	112.2	G144 K145 L153 I189 V193	G144-L148 VanDerWaalsContact O-CB 3.31Å; G144-L148 WeakPolarHBondContact O-CB 3.32Å; G144-L148 PolarHBondContact O-N 3.47Å; K145-L148 PolarHBondContact O-N 3.39Å; L148-L153 HydrophobicContact CD1-CD2 4.43Å; L148-I189 HydrophobicContact CD2-CG2 4.27Å; L148-V193 HydrophobicContact CD2-CG1 4.11Å
149	L	89.1	Confident	88	Confident	29 Å²	29	64.9 Å²	64.9	15%	0.152	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	16.1	-177.7	-56.9	-178.5	0	0	0	112.9	K145 I147 L154 I189 K190 V193	K145-L149 HydrophobicContact CD-CD1 4.28Å; K145-L149 HydrophobicContact CG-CD1 3.57Å; K145-L149 HydrophobicContact CG-CG 4.21Å; K145-L149 WeakPolarHBondContact O-CB 3.19Å; K145-L149 WeakPolarHBondContact O-CG 3.39Å; K145-L149 PolarHBondContact O-N 2.89Å; I147-L149 VanDerWaalsContact C-N 3.29Å; I147-L149 PolarHBondContact O-N 3.43Å; L149-L154 HydrophobicContact CB-CD1 4.45Å; L149-L154 HydrophobicContact CD2-CD2 4.27Å; L149-L154 WeakPolarHBondContact O-CD1 3.37Å; L149-I189 HydrophobicContact CD2-CG2 4.19Å; L149-K190 HydrophobicContact CD1-CB 4.41Å; L149-K190 HydrophobicContact CD1-CG 3.65Å; L149-K190 HydrophobicContact CD2-CG 4.14Å; L149-V193 HydrophobicContact CD1-CG2 3.81Å; L149-V193 HydrophobicContact CG-CG2 4.35Å
150	S	88.5	Confident	88.1	Confident	41 Å²	41	65.4 Å²	65.4	29%	0.287	37%	0.369	S	S	.	.			trans	-64.2	137.7	172.6	63.4	0	0	0	0	110.2	N146 I147 A152 L153 L154	N146-S150 PolarHBondContact O-N 3.3Å; I147-S150 WeakPolarHBondContact O-CB 3.44Å; I147-S150 PolarHBondContact O-N 2.92Å; I147-S150 PolarHBondContact O-OG 2.6Å; S150-A152 PolarHBondContact O-N 3.46Å; S150-A152 VanDerWaalsContact O-N 3.08Å; S150-L153 PolarHBondContact O-N 3.11Å; S150-L153 WeakPolarHBondContact OG-CB 3.5Å; S150-L153 PolarHBondContact OG-N 2.94Å; S150-L154 WeakPolarHBondContact O-CG 3.24Å; S150-L154 PolarHBondContact O-N 3.38Å
151	D	89	Confident	88.3	Confident	125 Å²	125	67.1 Å²	67.1	67%	0.668	37%	0.372	S	S	*	.	H	α-helix	trans	-52.6	-36.4	179.5	-63.9	-30.5	0	0	0	111.9	N155	D151-N155 WeakPolarHBondContact O-CB 3.29Å; D151-N155 PolarHBondContact O-N 3.33Å; D151-N155 PolarHBondContact O-ND2 2.89Å
152	A	86.9	Confident	88.4	Confident	75 Å²	75	66.7 Å²	66.7	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-60.4	-48.7	177	0	0	0	0	0	112.4	S150 E156	S150-A152 PolarHBondContact O-N 3.46Å; S150-A152 VanDerWaalsContact O-N 3.08Å; A152-E156 WeakPolarHBondContact O-CB 3.38Å; A152-E156 PolarHBondContact O-N 3.44Å; A152-E156 VanDerWaalsContact O-N 3.09Å
153	L	85.9	Confident	88.4	Confident	69 Å²	69	66.1 Å²	66.1	36%	0.361	37%	0.367	S	S	.	.	H	α-helix	trans	-72.3	-39.1	-179.1	-172.4	66.3	0	0	0	111.6	L148 S150 E156 L157	L148-L153 HydrophobicContact CD1-CD2 4.43Å; S150-L153 PolarHBondContact O-N 3.11Å; S150-L153 WeakPolarHBondContact OG-CB 3.5Å; S150-L153 PolarHBondContact OG-N 2.94Å; L153-E156 PolarHBondContact O-N 3.39Å; L153-L157 WeakPolarHBondContact O-CB 3.13Å; L153-L157 PolarHBondContact O-N 2.79Å
154	L	91	Very high	88.6	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-47.5	176.3	-66.3	-178.7	0	0	0	110.8	L149 S150 E156 L157 Q158 Y182 I186	L149-L154 HydrophobicContact CB-CD1 4.45Å; L149-L154 HydrophobicContact CD2-CD2 4.27Å; L149-L154 WeakPolarHBondContact O-CD1 3.37Å; S150-L154 WeakPolarHBondContact O-CG 3.24Å; S150-L154 PolarHBondContact O-N 3.38Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.29Å; L154-L157 PolarHBondContact O-N 3.39Å; L154-Q158 WeakPolarHBondContact O-CB 3.32Å; L154-Q158 PolarHBondContact O-N 2.93Å; L154-Y182 VanDerWaalsContact CA-OH 3.25Å; L154-Y182 WeakPolarHBondContact CA-OH 3.41Å; L154-Y182 PolarHBondContact O-OH 2.62Å; L154-I186 HydrophobicContact CD1-CG2 4.11Å; L154-I186 HydrophobicContact CD2-CD1 3.61Å; L154-I186 HydrophobicContact CD2-CG1 4.13Å; L154-I186 HydrophobicContact CD2-CG2 4.13Å
155	N	90.2	Very high	88.8	Confident	95 Å²	95	66 Å²	66	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-39.2	177.8	-69.3	-28.1	0	0	0	112.5	D151 S159	D151-N155 WeakPolarHBondContact O-CB 3.29Å; D151-N155 PolarHBondContact O-N 3.33Å; D151-N155 PolarHBondContact O-ND2 2.89Å; N155-S159 WeakPolarHBondContact O-CB 3.15Å; N155-S159 PolarHBondContact O-N 2.89Å
156	E	88.8	Confident	88.9	Confident	126 Å²	126	67 Å²	67	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-64	-45	175.1	-173.7	173.4	-176.4	0	0	111.1	A152 L153 L154 S159 V160	A152-E156 WeakPolarHBondContact O-CB 3.38Å; A152-E156 PolarHBondContact O-N 3.44Å; A152-E156 VanDerWaalsContact O-N 3.09Å; L153-E156 PolarHBondContact O-N 3.39Å; L154-E156 VanDerWaalsContact C-N 3.34Å; L154-E156 PolarHBondContact O-N 3.29Å; E156-S159 PolarHBondContact O-N 3.12Å; E156-V160 WeakPolarHBondContact O-CG2 3.19Å; E156-V160 PolarHBondContact O-N 3.28Å
157	L	89.1	Confident	89	Confident	90 Å²	90	70 Å²	70	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-42.2	178.4	-173.2	65.5	0	0	0	112	L153 L154 V160 F161 Y182	L153-L157 WeakPolarHBondContact O-CB 3.13Å; L153-L157 PolarHBondContact O-N 2.79Å; L154-L157 PolarHBondContact O-N 3.39Å; L157-V160 PolarHBondContact O-N 2.84Å; L157-F161 VanDerWaalsContact O-CB 3.29Å; L157-F161 WeakPolarHBondContact O-CB 3.19Å; L157-F161 PolarHBondContact O-N 3.07Å; L157-Y182 HydrophobicContact CB-CE2 4.18Å; L157-Y182 HydrophobicContact CD2-CE2 3.96Å; L157-Y182 HydrophobicContact CG-CE2 3.87Å
158	Q	92.3	Very high	89.2	Confident	41 Å²	41	71.3 Å²	71.3	19%	0.192	39%	0.385	C	S	.	.	H	α-helix	trans	-59.6	-47.8	175.3	-174	175.5	18.7	0	0	110.7	L154 V160 F161 V162 N179 Y182	L154-Q158 WeakPolarHBondContact O-CB 3.32Å; L154-Q158 PolarHBondContact O-N 2.93Å; Q158-V160 PolarHBondContact O-N 3.46Å; Q158-F161 PolarHBondContact O-N 2.8Å; Q158-V162 HydrophobicContact CG-CG2 4.28Å; Q158-V162 WeakPolarHBondContact O-CB 3.33Å; Q158-V162 VanDerWaalsContact O-CG2 3.32Å; Q158-V162 WeakPolarHBondContact O-CG2 3.44Å; Q158-V162 PolarHBondContact O-N 3.41Å; Q158-N179 PolarHBondContact NE2-OD1 3.42Å; Q158-Y182 HydrophobicContact CB-CD1 3.86Å; Q158-Y182 HydrophobicContact CB-CD2 4.36Å; Q158-Y182 HydrophobicContact CB-CE1 3.56Å; Q158-Y182 HydrophobicContact CB-CE2 4.08Å; Q158-Y182 HydrophobicContact CB-CG 4.27Å; Q158-Y182 HydrophobicContact CG-CD1 3.69Å; Q158-Y182 HydrophobicContact CG-CE1 3.88Å; Q158-Y182 HydrophobicContact CG-CG 4.1Å
159	S	89.7	Confident	89.2	Confident	76 Å²	76	79.4 Å²	79.4	53%	0.531	41%	0.41	S	S	.	.	H	α-helix	trans	-57.4	-49.1	177.9	-178.3	0	0	0	0	111	N155 E156 F161 V162 H163	N155-S159 WeakPolarHBondContact O-CB 3.15Å; N155-S159 PolarHBondContact O-N 2.89Å; E156-S159 PolarHBondContact O-N 3.12Å; S159-F161 VanDerWaalsContact C-N 3.31Å; S159-F161 PolarHBondContact O-N 3.46Å; S159-V162 PolarHBondContact O-N 3.09Å; S159-H163 WeakPolarHBondContact O-CB 3.47Å; S159-H163 PolarHBondContact O-N 2.95Å
160	V	89.9	Confident	89.1	Confident	95 Å²	95	83.3 Å²	83.3	58%	0.576	43%	0.43	S	S	*	.	H	α-helix	trans	-61.1	-40.5	177	172.2	0	0	0	0	111.9	E156 L157 Q158	E156-V160 WeakPolarHBondContact O-CG2 3.19Å; E156-V160 PolarHBondContact O-N 3.28Å; L157-V160 PolarHBondContact O-N 2.84Å; Q158-V160 PolarHBondContact O-N 3.46Å
161	F	89	Confident	88.9	Confident	78 Å²	78	86.1 Å²	86.1	34%	0.342	44%	0.439	S	S	.	.	H	α-helix	trans	-66.6	-45.2	-179.3	-168	-105.6	0	0	0	111.9	L157 Q158 S159 V164 L178 L181 Y182	L157-F161 VanDerWaalsContact O-CB 3.29Å; L157-F161 WeakPolarHBondContact O-CB 3.19Å; L157-F161 PolarHBondContact O-N 3.07Å; Q158-F161 PolarHBondContact O-N 2.8Å; S159-F161 VanDerWaalsContact C-N 3.31Å; S159-F161 PolarHBondContact O-N 3.46Å; F161-V164 WeakPolarHBondContact O-CG2 3.36Å; F161-L178 HydrophobicContact CD1-CB 3.97Å; F161-L178 HydrophobicContact CD1-CD1 4.46Å; F161-L178 HydrophobicContact CE1-CB 3.84Å; F161-L178 HydrophobicContact CE1-CD1 4.41Å; F161-L178 HydrophobicContact CE1-CD2 3.78Å; F161-L178 HydrophobicContact CE1-CG 4.22Å; F161-L178 WeakPolarHBondContact CE1-O 3.3Å; F161-L178 HydrophobicContact CZ-CD2 4.13Å; F161-L178 WeakPolarHBondContact O-CD1 3.48Å; F161-L181 HydrophobicContact CE1-CD2 4.29Å; F161-L181 HydrophobicContact CZ-CD2 3.99Å; F161-L181 HydrophobicContact CZ-CG 4.48Å; F161-Y182 HydrophobicContact CB-CD2 4.31Å; F161-Y182 HydrophobicContact CD1-CD2 4.3Å; F161-Y182 HydrophobicContact CG-CD2 4.36Å
162	V	91.4	Very high	88.9	Confident	20 Å²	20	85.5 Å²	85.5	12%	0.121	44%	0.439	C	S	.	.	H	α-helix	trans	-76.1	-30.3	-178.9	176.4	0	0	0	0	112.1	Q158 S159 V164 C165 L178 N179	Q158-V162 HydrophobicContact CG-CG2 4.28Å; Q158-V162 WeakPolarHBondContact O-CB 3.33Å; Q158-V162 VanDerWaalsContact O-CG2 3.32Å; Q158-V162 WeakPolarHBondContact O-CG2 3.44Å; Q158-V162 PolarHBondContact O-N 3.41Å; S159-V162 PolarHBondContact O-N 3.09Å; V162-V164 PolarHBondContact O-N 2.86Å; V162-C165 VanDerWaalsContact O-CB 3.23Å; V162-C165 WeakPolarHBondContact O-CB 3.38Å; V162-C165 PolarHBondContact O-N 3.42Å; V162-L178 HydrophobicContact CG2-CB 4.36Å; V162-N179 VanDerWaalsContact CG2-OD1 3.26Å; V162-N179 WeakPolarHBondContact CG2-OD1 3.36Å
163	H	90.1	Very high	89.1	Confident	89 Å²	89	88.1 Å²	88.1	41%	0.412	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.7	177.9	-174.7	-80.4	0	0	0	113.3	S159 C165 D166 Y167	S159-H163 WeakPolarHBondContact O-CB 3.47Å; S159-H163 PolarHBondContact O-N 2.95Å; H163-C165 PolarHBondContact O-N 2.91Å; H163-D166 IonicContact CD2-OD2 2.98Å; H163-D166 PolarHBondContact CD2-OD2 2.86Å; H163-D166 IonicContact CG-OD2 3.65Å; H163-D166 IonicContact NE2-OD2 3.72Å; H163-D166 PolarHBondContact O-N 3.1Å; H163-Y167 AromaticContact CE1-CE2 3.79Å; H163-Y167 AromaticContact CE1-CZ 3.99Å; H163-Y167 PolarHBondContact CE1-OH 3.08Å; H163-Y167 AromaticContact ND1-CE2 3.81Å
164	V	88.6	Confident	89.4	Confident	55 Å²	55	86.4 Å²	86.4	33%	0.333	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.9	168.1	179.8	0	0	0	0	111.7	L8 F161 V162 L178	L8-V164 HydrophobicContact CD1-CG1 4.09Å; F161-V164 WeakPolarHBondContact O-CG2 3.36Å; V162-V164 PolarHBondContact O-N 2.86Å; V164-L178 HydrophobicContact CB-CD1 4.41Å
165	C	91	Very high	89.5	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-75.5	-20.8	-179.2	-65.1	0	0	0	0	114.4	V162 H163 Y167 V168 C174 S175 L178	V162-C165 VanDerWaalsContact O-CB 3.23Å; V162-C165 WeakPolarHBondContact O-CB 3.38Å; V162-C165 PolarHBondContact O-N 3.42Å; H163-C165 PolarHBondContact O-N 2.91Å; C165-Y167 PolarHBondContact O-N 3.39Å; C165-V168 HydrophobicContact CB-CG2 4.4Å; C165-V168 VanDerWaalsContact O-CG2 3.23Å; C165-V168 WeakPolarHBondContact O-CG2 3.41Å; C165-V168 PolarHBondContact O-N 3.5Å; C165-C174 VanDerWaalsContact CA-SG 3.53Å; C165-C174 HydrophobicContact CB-CB 3.6Å; C165-C174 WeakPolarHBondContact CB-SG 3.29Å; C165-C174 WeakPolarHBondContact SG-CB 3.42Å; C165-C174 PolarHBondContact SG-O 2.71Å; C165-C174 VanDerWaalsContact SG-O 3.41Å; C165-C174 CovalentContact SG-SG 2.04Å; C165-C174 PolarHBondContact SG-SG 3.47Å; C165-S175 WeakPolarHBondContact CB-OG 3.39Å; C165-S175 PolarHBondContact SG-N 3.27Å; C165-L178 WeakPolarHBondContact SG-CD1 3.36Å
166	D	90.6	Very high	89.6	Confident	75 Å²	75	85.4 Å²	85.4	40%	0.401	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.2	177	-61	8.8	0	0	0	112.1	H163	H163-D166 IonicContact CD2-OD2 2.98Å; H163-D166 PolarHBondContact CD2-OD2 2.86Å; H163-D166 IonicContact CG-OD2 3.65Å; H163-D166 IonicContact NE2-OD2 3.72Å; H163-D166 PolarHBondContact O-N 3.1Å
167	Y	89.8	Confident	89.8	Confident	152 Å²	152	85.4 Å²	85.4	60%	0.596	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-100	4.4	179.8	-57.2	-75.2	0	0	0	113.8	H163 C165	H163-Y167 AromaticContact CE1-CE2 3.79Å; H163-Y167 AromaticContact CE1-CZ 3.99Å; H163-Y167 PolarHBondContact CE1-OH 3.08Å; H163-Y167 AromaticContact ND1-CE2 3.81Å; C165-Y167 PolarHBondContact O-N 3.39Å
168	V	87.7	Confident	89.9	Confident	66 Å²	66	82 Å²	82	40%	0.4	41%	0.412	S	S	.	.	S	Bend	trans	-113.8	149.9	179.8	-53.4	0	0	0	0	112.4	C165 L170 E171 C174	C165-V168 HydrophobicContact CB-CG2 4.4Å; C165-V168 VanDerWaalsContact O-CG2 3.23Å; C165-V168 WeakPolarHBondContact O-CG2 3.41Å; C165-V168 PolarHBondContact O-N 3.5Å; V168-L170 PolarHBondContact O-N 3.44Å; V168-E171 PolarHBondContact O-N 3.08Å; V168-C174 HydrophobicContact CG2-CB 3.63Å
169	R	84.3	Confident	90	Very high	253 Å²	253	82.6 Å²	82.6	96%	0.955	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23	-176.8	-166.7	178.9	-76.8	-149.7	-1.9	113.5
170	L	87.9	Confident	90.1	Very high	110 Å²	110	84.5 Å²	84.5	58%	0.576	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	48.9	179.5	-62.6	171.3	0	0	0	110.5	V168 V172 Q173 C174	V168-L170 PolarHBondContact O-N 3.44Å; L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 2.75Å; L170-Q173 HydrophobicContact CB-CB 4.44Å; L170-Q173 PolarHBondContact O-N 3.37Å; L170-C174 WeakPolarHBondContact O-CB 3.48Å; L170-C174 PolarHBondContact O-N 3.08Å
171	E	84.6	Confident	90.2	Very high	101 Å²	101	83.6 Å²	83.6	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-46	-53.1	-174.8	-174.4	-172.6	153.8	0	0	112.4	V168 Q173 C174 S175	V168-E171 PolarHBondContact O-N 3.08Å; E171-Q173 PolarHBondContact O-N 3.43Å; E171-C174 WeakPolarHBondContact O-CB 3.4Å; E171-C174 PolarHBondContact O-N 2.71Å; E171-S175 WeakPolarHBondContact O-CB 3.46Å; E171-S175 PolarHBondContact O-N 3.37Å; E171-S175 PolarHBondContact O-OG 3.13Å; E171-S175 VanDerWaalsContact O-OG 3.06Å
172	V	89.2	Confident	90.4	Very high	112 Å²	112	80.4 Å²	80.4	68%	0.679	39%	0.394	S	S	*	.	H	α-helix	trans	-58	-48.3	-177.8	179.4	0	0	0	0	112.3	L170 S175 T176	L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 2.75Å; V172-S175 PolarHBondContact O-N 2.87Å; V172-T176 PolarHBondContact O-N 3.33Å; V172-T176 PolarHBondContact O-OG1 3.46Å; V172-T176 VanDerWaalsContact O-OG1 3.07Å
173	Q	91.2	Very high	90.5	Very high	130 Å²	130	84.1 Å²	84.1	61%	0.607	41%	0.41	S	S	*	.	H	α-helix	trans	-68.4	-38.6	-178.2	-68	167.9	-12.2	0	0	111.4	L170 E171 F177	L170-Q173 HydrophobicContact CB-CB 4.44Å; L170-Q173 PolarHBondContact O-N 3.37Å; E171-Q173 PolarHBondContact O-N 3.43Å; Q173-F177 WeakPolarHBondContact O-CB 3.25Å; Q173-F177 PolarHBondContact O-N 3.32Å; Q173-F177 VanDerWaalsContact O-N 3.08Å
174	C	91.9	Very high	90.5	Very high	32 Å²	32	84.8 Å²	84.8	22%	0.216	42%	0.417	C	S	.	.	H	α-helix	trans	-62.5	-48.5	174.7	179.2	0	0	0	0	110.8	C165 V168 L170 E171 T176 F177 L178	C165-C174 VanDerWaalsContact CA-SG 3.53Å; C165-C174 HydrophobicContact CB-CB 3.6Å; C165-C174 WeakPolarHBondContact CB-SG 3.29Å; C165-C174 WeakPolarHBondContact SG-CB 3.42Å; C165-C174 PolarHBondContact SG-O 2.71Å; C165-C174 VanDerWaalsContact SG-O 3.41Å; C165-C174 CovalentContact SG-SG 2.04Å; C165-C174 PolarHBondContact SG-SG 3.47Å; V168-C174 HydrophobicContact CG2-CB 3.63Å; L170-C174 WeakPolarHBondContact O-CB 3.48Å; L170-C174 PolarHBondContact O-N 3.08Å; E171-C174 WeakPolarHBondContact O-CB 3.4Å; E171-C174 PolarHBondContact O-N 2.71Å; C174-T176 VanDerWaalsContact C-N 3.35Å; C174-T176 PolarHBondContact O-N 3.13Å; C174-F177 PolarHBondContact O-N 3.34Å; C174-L178 PolarHBondContact O-N 2.84Å
175	S	91.9	Very high	90.7	Very high	20 Å²	20	84.1 Å²	84.1	14%	0.14	42%	0.417	C	S	.	.	H	α-helix	trans	-64.2	-39.7	-178.5	-63.9	0	0	0	0	111.6	C165 E171 V172 N179	C165-S175 WeakPolarHBondContact CB-OG 3.39Å; C165-S175 PolarHBondContact SG-N 3.27Å; E171-S175 WeakPolarHBondContact O-CB 3.46Å; E171-S175 PolarHBondContact O-N 3.37Å; E171-S175 PolarHBondContact O-OG 3.13Å; E171-S175 VanDerWaalsContact O-OG 3.06Å; V172-S175 PolarHBondContact O-N 2.87Å; S175-N179 VanDerWaalsContact O-CB 3.25Å; S175-N179 WeakPolarHBondContact O-CB 3.48Å; S175-N179 VanDerWaalsContact O-CG 3.28Å; S175-N179 PolarHBondContact O-N 3.17Å; S175-N179 PolarHBondContact O-ND2 3.03Å
176	T	92.3	Very high	90.7	Very high	73 Å²	73	84.5 Å²	84.5	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-60.3	-49	172.6	-58.1	0	0	0	0	111.3	V172 C174 N179 E180	V172-T176 PolarHBondContact O-N 3.33Å; V172-T176 PolarHBondContact O-OG1 3.46Å; V172-T176 VanDerWaalsContact O-OG1 3.07Å; C174-T176 VanDerWaalsContact C-N 3.35Å; C174-T176 PolarHBondContact O-N 3.13Å; T176-N179 PolarHBondContact O-N 3.18Å; T176-E180 WeakPolarHBondContact O-CG 2.89Å; T176-E180 PolarHBondContact O-N 3.06Å
177	F	92.6	Very high	90.6	Very high	125 Å²	125	85.1 Å²	85.1	55%	0.548	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-46.2	-179.9	173.8	-104.3	0	0	0	113	Q173 C174 N179 E180 L181	Q173-F177 WeakPolarHBondContact O-CB 3.25Å; Q173-F177 PolarHBondContact O-N 3.32Å; Q173-F177 VanDerWaalsContact O-N 3.08Å; C174-F177 PolarHBondContact O-N 3.34Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.74Å; F177-E180 PolarHBondContact O-N 3.24Å; F177-L181 HydrophobicContact CE1-CD2 4.38Å; F177-L181 WeakPolarHBondContact O-CB 3.45Å; F177-L181 PolarHBondContact O-N 3.21Å
178	L	92.7	Very high	90.6	Very high	20 Å²	20	82.7 Å²	82.7	11%	0.105	42%	0.418	C	S	.	.	H	α-helix	trans	-68.6	-32.6	179.3	-70.2	-167.2	0	0	0	112.2	F161 V162 V164 C165 C174 L181 Y182	F161-L178 HydrophobicContact CD1-CB 3.97Å; F161-L178 HydrophobicContact CD1-CD1 4.46Å; F161-L178 HydrophobicContact CE1-CB 3.84Å; F161-L178 HydrophobicContact CE1-CD1 4.41Å; F161-L178 HydrophobicContact CE1-CD2 3.78Å; F161-L178 HydrophobicContact CE1-CG 4.22Å; F161-L178 WeakPolarHBondContact CE1-O 3.3Å; F161-L178 HydrophobicContact CZ-CD2 4.13Å; F161-L178 WeakPolarHBondContact O-CD1 3.48Å; V162-L178 HydrophobicContact CG2-CB 4.36Å; V164-L178 HydrophobicContact CB-CD1 4.41Å; C165-L178 WeakPolarHBondContact SG-CD1 3.36Å; C174-L178 PolarHBondContact O-N 2.84Å; L178-L181 HydrophobicContact CD2-CD2 4.3Å; L178-L181 PolarHBondContact O-N 3.18Å; L178-Y182 WeakPolarHBondContact O-CB 3.5Å; L178-Y182 PolarHBondContact O-N 2.87Å
179	N	93	Very high	90.7	Very high	52 Å²	52	82.6 Å²	82.6	28%	0.278	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-48.7	171.6	-84.1	-49.8	0	0	0	111.5	Q158 V162 S175 T176 F177 L181 Y182 E183	Q158-N179 PolarHBondContact NE2-OD1 3.42Å; V162-N179 VanDerWaalsContact CG2-OD1 3.26Å; V162-N179 WeakPolarHBondContact CG2-OD1 3.36Å; S175-N179 VanDerWaalsContact O-CB 3.25Å; S175-N179 WeakPolarHBondContact O-CB 3.48Å; S175-N179 VanDerWaalsContact O-CG 3.28Å; S175-N179 PolarHBondContact O-N 3.17Å; S175-N179 PolarHBondContact O-ND2 3.03Å; T176-N179 PolarHBondContact O-N 3.18Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.74Å; N179-L181 VanDerWaalsContact C-N 3.31Å; N179-L181 PolarHBondContact O-N 3.28Å; N179-Y182 WeakPolarHBondContact O-CB 3.21Å; N179-Y182 PolarHBondContact O-N 2.81Å; N179-E183 WeakPolarHBondContact O-CG 3.09Å; N179-E183 PolarHBondContact O-N 2.92Å
180	E	93	Very high	90.8	Very high	116 Å²	116	74.6 Å²	74.6	54%	0.542	39%	0.387	S	S	.	.	H	α-helix	trans	-60.7	-41.6	176.9	-71.4	175.7	-174.1	0	0	111.9	T176 F177 Y182 N184	T176-E180 WeakPolarHBondContact O-CG 2.89Å; T176-E180 PolarHBondContact O-N 3.06Å; F177-E180 PolarHBondContact O-N 3.24Å; E180-Y182 VanDerWaalsContact C-N 3.35Å; E180-N184 WeakPolarHBondContact O-CB 3.26Å; E180-N184 VanDerWaalsContact O-CG 3.25Å; E180-N184 PolarHBondContact O-N 3.41Å; E180-N184 VanDerWaalsContact O-N 3.08Å; E180-N184 PolarHBondContact O-ND2 2.67Å
181	L	92.5	Very high	90.7	Very high	77 Å²	77	75.7 Å²	75.7	40%	0.403	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-41.4	176.3	-177.3	62.8	0	0	0	111.9	F161 F177 L178 N179 A185	F161-L181 HydrophobicContact CE1-CD2 4.29Å; F161-L181 HydrophobicContact CZ-CD2 3.99Å; F161-L181 HydrophobicContact CZ-CG 4.48Å; F177-L181 HydrophobicContact CE1-CD2 4.38Å; F177-L181 WeakPolarHBondContact O-CB 3.45Å; F177-L181 PolarHBondContact O-N 3.21Å; L178-L181 HydrophobicContact CD2-CD2 4.3Å; L178-L181 PolarHBondContact O-N 3.18Å; N179-L181 VanDerWaalsContact C-N 3.31Å; N179-L181 PolarHBondContact O-N 3.28Å; L181-A185 WeakPolarHBondContact O-CB 3.44Å; L181-A185 PolarHBondContact O-N 2.88Å
182	Y	92.1	Very high	90.7	Very high	11 Å²	11	75 Å²	75	4%	0.043	39%	0.388	C	S	.	.	H	α-helix	trans	-62.2	-50.1	177.3	177.5	-92.3	0	0	0	111.2	L154 L157 Q158 F161 L178 N179 E180 N184 A185 I186	L154-Y182 VanDerWaalsContact CA-OH 3.25Å; L154-Y182 WeakPolarHBondContact CA-OH 3.41Å; L154-Y182 PolarHBondContact O-OH 2.62Å; L157-Y182 HydrophobicContact CB-CE2 4.18Å; L157-Y182 HydrophobicContact CD2-CE2 3.96Å; L157-Y182 HydrophobicContact CG-CE2 3.87Å; Q158-Y182 HydrophobicContact CB-CD1 3.86Å; Q158-Y182 HydrophobicContact CB-CD2 4.36Å; Q158-Y182 HydrophobicContact CB-CE1 3.56Å; Q158-Y182 HydrophobicContact CB-CE2 4.08Å; Q158-Y182 HydrophobicContact CB-CG 4.27Å; Q158-Y182 HydrophobicContact CG-CD1 3.69Å; Q158-Y182 HydrophobicContact CG-CE1 3.88Å; Q158-Y182 HydrophobicContact CG-CG 4.1Å; F161-Y182 HydrophobicContact CB-CD2 4.31Å; F161-Y182 HydrophobicContact CD1-CD2 4.3Å; F161-Y182 HydrophobicContact CG-CD2 4.36Å; L178-Y182 WeakPolarHBondContact O-CB 3.5Å; L178-Y182 PolarHBondContact O-N 2.87Å; N179-Y182 WeakPolarHBondContact O-CB 3.21Å; N179-Y182 PolarHBondContact O-N 2.81Å; E180-Y182 VanDerWaalsContact C-N 3.35Å; Y182-N184 VanDerWaalsContact C-N 3.33Å; Y182-N184 PolarHBondContact O-N 3.2Å; Y182-A185 WeakPolarHBondContact O-CB 3.3Å; Y182-A185 PolarHBondContact O-N 3.23Å; Y182-A185 VanDerWaalsContact O-N 3.09Å; Y182-I186 HydrophobicContact CD1-CG1 4.05Å; Y182-I186 HydrophobicContact CD2-CG1 4.41Å; Y182-I186 HydrophobicContact CE1-CD1 4.33Å; Y182-I186 HydrophobicContact CE1-CG1 3.48Å; Y182-I186 VanDerWaalsContact CE1-CG1 3.48Å; Y182-I186 HydrophobicContact CE2-CD1 3.97Å; Y182-I186 HydrophobicContact CE2-CG1 3.9Å; Y182-I186 HydrophobicContact CG-CG1 4.47Å; Y182-I186 WeakPolarHBondContact O-CG1 3.18Å; Y182-I186 PolarHBondContact O-N 3.14Å
183	E	93	Very high	90.6	Very high	97 Å²	97	70.9 Å²	70.9	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-46	178.4	-69.7	-62.4	157.8	0	0	111.5	N179 A185 I186 D187	N179-E183 WeakPolarHBondContact O-CG 3.09Å; N179-E183 PolarHBondContact O-N 2.92Å; E183-A185 VanDerWaalsContact C-N 3.32Å; E183-A185 PolarHBondContact O-N 3.15Å; E183-I186 PolarHBondContact O-N 3.26Å; E183-D187 WeakPolarHBondContact O-CB 3.49Å; E183-D187 PolarHBondContact O-N 3.29Å
184	N	91.7	Very high	90.5	Very high	103 Å²	103	67.6 Å²	67.6	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-61.2	-40.2	175.9	-71.6	-33.8	0	0	0	112.2	E180 Y182 D187 I188	E180-N184 WeakPolarHBondContact O-CB 3.26Å; E180-N184 VanDerWaalsContact O-CG 3.25Å; E180-N184 PolarHBondContact O-N 3.41Å; E180-N184 VanDerWaalsContact O-N 3.08Å; E180-N184 PolarHBondContact O-ND2 2.67Å; Y182-N184 VanDerWaalsContact C-N 3.33Å; Y182-N184 PolarHBondContact O-N 3.2Å; N184-D187 PolarHBondContact O-N 3.32Å; N184-I188 VanDerWaalsContact O-CG1 3.31Å; N184-I188 WeakPolarHBondContact O-CG1 3.39Å; N184-I188 PolarHBondContact O-N 2.86Å; N184-I188 VanDerWaalsContact O-N 3.13Å
185	A	91.1	Very high	90.5	Very high	42 Å²	42	66.8 Å²	66.8	35%	0.347	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-42.3	178	0	0	0	0	0	111.9	L181 Y182 E183 D187 I188 I189	L181-A185 WeakPolarHBondContact O-CB 3.44Å; L181-A185 PolarHBondContact O-N 2.88Å; Y182-A185 WeakPolarHBondContact O-CB 3.3Å; Y182-A185 PolarHBondContact O-N 3.23Å; Y182-A185 VanDerWaalsContact O-N 3.09Å; E183-A185 VanDerWaalsContact C-N 3.32Å; E183-A185 PolarHBondContact O-N 3.15Å; A185-D187 VanDerWaalsContact C-N 3.35Å; A185-I188 PolarHBondContact O-N 3.22Å; A185-I189 VanDerWaalsContact O-CG1 3.25Å; A185-I189 WeakPolarHBondContact O-CG1 3.02Å; A185-I189 PolarHBondContact O-N 3.32Å
186	I	91.5	Very high	90.5	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.036	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-38.9	176.9	-66.9	-49	0	0	0	111.4	L154 Y182 E183 I189 K190	L154-I186 HydrophobicContact CD1-CG2 4.11Å; L154-I186 HydrophobicContact CD2-CD1 3.61Å; L154-I186 HydrophobicContact CD2-CG1 4.13Å; L154-I186 HydrophobicContact CD2-CG2 4.13Å; Y182-I186 HydrophobicContact CD1-CG1 4.05Å; Y182-I186 HydrophobicContact CD2-CG1 4.41Å; Y182-I186 HydrophobicContact CE1-CD1 4.33Å; Y182-I186 HydrophobicContact CE1-CG1 3.48Å; Y182-I186 VanDerWaalsContact CE1-CG1 3.48Å; Y182-I186 HydrophobicContact CE2-CD1 3.97Å; Y182-I186 HydrophobicContact CE2-CG1 3.9Å; Y182-I186 HydrophobicContact CG-CG1 4.47Å; Y182-I186 WeakPolarHBondContact O-CG1 3.18Å; Y182-I186 PolarHBondContact O-N 3.14Å; E183-I186 PolarHBondContact O-N 3.26Å; I186-I189 HydrophobicContact CD1-CD1 4.16Å; I186-I189 PolarHBondContact O-N 3.05Å; I186-K190 HydrophobicContact CG2-CD 4.12Å; I186-K190 HydrophobicContact CG2-CG 4.46Å; I186-K190 WeakPolarHBondContact O-CB 3.49Å; I186-K190 WeakPolarHBondContact O-CG 3.27Å; I186-K190 PolarHBondContact O-N 2.03Å
187	D	89.6	Confident	90.4	Very high	89 Å²	89	68.8 Å²	68.8	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-44.1	175.8	-163.7	56	0	0	0	111.7	E183 N184 A185 I189 K190 H191	E183-D187 WeakPolarHBondContact O-CB 3.49Å; E183-D187 PolarHBondContact O-N 3.29Å; N184-D187 PolarHBondContact O-N 3.32Å; A185-D187 VanDerWaalsContact C-N 3.35Å; D187-I189 PolarHBondContact O-N 2.03Å; D187-K190 WeakPolarHBondContact O-CB 3Å; D187-K190 PolarHBondContact O-N 2.69Å; D187-H191 PolarHBondContact O-CD2 3.14Å; D187-H191 PolarHBondContact O-N 3.37Å
188	I	88.9	Confident	90.2	Very high	100 Å²	100	65.4 Å²	65.4	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-45.9	173.6	-66.9	165.1	0	0	0	111.1	N184 A185 K190 H191 I192	N184-I188 VanDerWaalsContact O-CG1 3.31Å; N184-I188 WeakPolarHBondContact O-CG1 3.39Å; N184-I188 PolarHBondContact O-N 2.86Å; N184-I188 VanDerWaalsContact O-N 3.13Å; A185-I188 PolarHBondContact O-N 3.22Å; I188-K190 VanDerWaalsContact C-N 3.31Å; I188-K190 PolarHBondContact O-N 3.26Å; I188-H191 PolarHBondContact O-N 3.17Å; I188-I192 HydrophobicContact CG2-CD1 3.7Å; I188-I192 HydrophobicContact CG2-CG1 4.4Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.39Å; I188-I192 VanDerWaalsContact O-N 3.07Å
189	I	89	Confident	90.2	Very high	64 Å²	64	64.5 Å²	64.5	33%	0.328	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-44.6	179.4	-71.1	164.5	0	0	0	110.1	L148 L149 A185 I186 D187 H191 I192 V193	L148-I189 HydrophobicContact CD2-CG2 4.27Å; L149-I189 HydrophobicContact CD2-CG2 4.19Å; A185-I189 VanDerWaalsContact O-CG1 3.25Å; A185-I189 WeakPolarHBondContact O-CG1 3.02Å; A185-I189 PolarHBondContact O-N 3.32Å; I186-I189 HydrophobicContact CD1-CD1 4.16Å; I186-I189 PolarHBondContact O-N 3.05Å; D187-I189 PolarHBondContact O-N 2.03Å; I189-H191 PolarHBondContact O-N 3.17Å; I189-I192 PolarHBondContact O-N 3.24Å; I189-V193 HydrophobicContact CG2-CG1 4.04Å; I189-V193 HydrophobicContact CG2-CG2 4.43Å; I189-V193 WeakPolarHBondContact O-CG2 3.06Å; I189-V193 PolarHBondContact O-N 3.07Å
190	K	87.8	Confident	90.1	Very high	86 Å²	86	64.5 Å²	64.5	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-52.9	-38.6	177.3	-81.7	165.1	177.8	174.1	0	112.9	L149 I186 D187 I188	L149-K190 HydrophobicContact CD1-CB 4.41Å; L149-K190 HydrophobicContact CD1-CG 3.65Å; L149-K190 HydrophobicContact CD2-CG 4.14Å; I186-K190 HydrophobicContact CG2-CD 4.12Å; I186-K190 HydrophobicContact CG2-CG 4.46Å; I186-K190 WeakPolarHBondContact O-CB 3.49Å; I186-K190 WeakPolarHBondContact O-CG 3.27Å; I186-K190 PolarHBondContact O-N 2.03Å; D187-K190 WeakPolarHBondContact O-CB 3Å; D187-K190 PolarHBondContact O-N 2.69Å; I188-K190 VanDerWaalsContact C-N 3.31Å; I188-K190 PolarHBondContact O-N 3.26Å
191	H	84.2	Confident	89.8	Confident	133 Å²	133	64.4 Å²	64.4	62%	0.616	33%	0.326	S	S	*	.	H	α-helix	trans	-73.2	-40.1	176.2	-75.6	-63.3	0	0	0	112.8	D187 I188 I189 E194	D187-H191 PolarHBondContact O-CD2 3.14Å; D187-H191 PolarHBondContact O-N 3.37Å; I188-H191 PolarHBondContact O-N 3.17Å; I189-H191 PolarHBondContact O-N 3.17Å; H191-E194 WeakPolarHBondContact O-CB 3.42Å
192	I	85.2	Confident	89.5	Confident	85 Å²	85	62.8 Å²	62.8	44%	0.436	33%	0.328	S	S	.	.	H	α-helix	trans	-71.5	-38.5	-178.9	-65.7	170.9	0	0	0	111.5	I188 I189 E194 F197 I198	I188-I192 HydrophobicContact CG2-CD1 3.7Å; I188-I192 HydrophobicContact CG2-CG1 4.4Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.39Å; I188-I192 VanDerWaalsContact O-N 3.07Å; I189-I192 PolarHBondContact O-N 3.24Å; I192-E194 PolarHBondContact O-N 3.32Å; I192-E194 VanDerWaalsContact O-N 3.16Å; I192-F197 WeakPolarHBondContact O-CD1 3.32Å; I192-I198 HydrophobicContact CG2-CD1 4.36Å; I192-I198 WeakPolarHBondContact O-CD1 3.33Å; I192-I198 VanDerWaalsContact O-CG1 3.24Å; I192-I198 WeakPolarHBondContact O-CG1 3.43Å
193	V	86.8	Confident	89.2	Confident	26 Å²	26	70.4 Å²	70.4	16%	0.158	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	21.9	-179.5	-55.6	0	0	0	0	113.1	K145 L148 L149 I189	K145-V193 HydrophobicContact CB-CG2 4.32Å; K145-V193 HydrophobicContact CD-CG2 4.19Å; K145-V193 WeakPolarHBondContact CD-O 3.45Å; K145-V193 HydrophobicContact CG-CG2 3.8Å; L148-V193 HydrophobicContact CD2-CG1 4.11Å; L149-V193 HydrophobicContact CD1-CG2 3.81Å; L149-V193 HydrophobicContact CG-CG2 4.35Å; I189-V193 HydrophobicContact CG2-CG1 4.04Å; I189-V193 HydrophobicContact CG2-CG2 4.43Å; I189-V193 WeakPolarHBondContact O-CG2 3.06Å; I189-V193 PolarHBondContact O-N 3.07Å
194	E	90.5	Very high	88.9	Confident	62 Å²	62	70.6 Å²	70.6	29%	0.29	37%	0.366	S	S	.	.			trans	-67.5	128	171.7	-166.5	-76.7	128.3	0	0	109.9	H191 I192 H196 F197 I198	H191-E194 WeakPolarHBondContact O-CB 3.42Å; I192-E194 PolarHBondContact O-N 3.32Å; I192-E194 VanDerWaalsContact O-N 3.16Å; E194-H196 VanDerWaalsContact CD-N 3.28Å; E194-H196 PolarHBondContact O-N 2.94Å; E194-H196 IonicContact OE1-CG 3.15Å; E194-H196 PolarHBondContact OE1-N 2.79Å; E194-H196 IonicContact OE1-ND1 3.55Å; E194-H196 PolarHBondContact OE1-ND1 3.18Å; E194-H196 WeakPolarHBondContact OE2-CA 3.22Å; E194-H196 WeakPolarHBondContact OE2-CB 3.38Å; E194-H196 PolarHBondContact OE2-N 2.61Å; E194-H196 VanDerWaalsContact OE2-N 3.13Å; E194-F197 HydrophobicContact CB-CB 4.23Å; E194-F197 PolarHBondContact O-N 3.46Å; E194-F197 WeakPolarHBondContact OE2-CB 3.44Å; E194-F197 PolarHBondContact OE2-N 2.92Å; E194-I198 PolarHBondContact O-N 3.48Å
195	P	92	Very high	88.8	Confident	15 Å²	15	66 Å²	66	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-52.9	-47.5	-173.8	-30.4	36.4	0	0	0	114.9	L138 V141 E142 C199	L138-P195 HydrophobicContact CD2-CB 3.8Å; V141-P195 HydrophobicContact CB-CB 4.25Å; V141-P195 HydrophobicContact CG1-CB 4.22Å; V141-P195 HydrophobicContact CG1-CG 4.23Å; E142-P195 HydrophobicContact CB-CG 4.03Å; P195-C199 VanDerWaalsContact O-CB 3.25Å; P195-C199 WeakPolarHBondContact O-CB 3.22Å; P195-C199 PolarHBondContact O-N 2.93Å; P195-C199 PolarHBondContact O-SG 3.34Å
196	H	91.1	Very high	88.5	Confident	38 Å²	38	70 Å²	70	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-44	-178.3	-64.3	82.6	0	0	0	111.2	L138 E194 C199 Q200 Y209	L138-H196 HydrophobicContact CD2-CB 4.44Å; E194-H196 VanDerWaalsContact CD-N 3.28Å; E194-H196 PolarHBondContact O-N 2.94Å; E194-H196 IonicContact OE1-CG 3.15Å; E194-H196 PolarHBondContact OE1-N 2.79Å; E194-H196 IonicContact OE1-ND1 3.55Å; E194-H196 PolarHBondContact OE1-ND1 3.18Å; E194-H196 WeakPolarHBondContact OE2-CA 3.22Å; E194-H196 WeakPolarHBondContact OE2-CB 3.38Å; E194-H196 PolarHBondContact OE2-N 2.61Å; E194-H196 VanDerWaalsContact OE2-N 3.13Å; H196-C199 PolarHBondContact O-N 3.49Å; H196-Q200 VanDerWaalsContact O-CB 3.22Å; H196-Q200 WeakPolarHBondContact O-CB 3.33Å; H196-Q200 WeakPolarHBondContact O-CG 3.49Å; H196-Q200 PolarHBondContact O-N 3.4Å; H196-Y209 AromaticContact CD2-CD1 3.92Å; H196-Y209 AromaticContact NE2-CD1 3.91Å
197	F	89.2	Confident	87.7	Confident	97 Å²	97	75.5 Å²	75.5	43%	0.425	39%	0.391	S	S	.	.	H	α-helix	trans	-58.1	-51.4	177.9	-178.3	-101.8	0	0	0	111.7	I192 E194 C199 Q200 L201	I192-F197 WeakPolarHBondContact O-CD1 3.32Å; E194-F197 HydrophobicContact CB-CB 4.23Å; E194-F197 PolarHBondContact O-N 3.46Å; E194-F197 WeakPolarHBondContact OE2-CB 3.44Å; E194-F197 PolarHBondContact OE2-N 2.92Å; F197-C199 PolarHBondContact O-N 3.32Å; F197-Q200 PolarHBondContact O-N 2.99Å; F197-L201 HydrophobicContact CE1-CD2 4.45Å; F197-L201 VanDerWaalsContact O-CB 3.25Å; F197-L201 WeakPolarHBondContact O-CB 3.49Å; F197-L201 PolarHBondContact O-N 3.41Å
198	I	89.5	Confident	86.5	Confident	54 Å²	54	76.3 Å²	76.3	28%	0.277	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-44	178.6	-66.4	-64.2	0	0	0	111.2	V141 I192 E194 Q200 L201 G202	V141-I198 HydrophobicContact CG1-CB 4.08Å; V141-I198 HydrophobicContact CG1-CG1 4.16Å; V141-I198 HydrophobicContact CG1-CG2 4.31Å; V141-I198 HydrophobicContact CG2-CB 4.15Å; V141-I198 HydrophobicContact CG2-CG2 3.64Å; I192-I198 HydrophobicContact CG2-CD1 4.36Å; I192-I198 WeakPolarHBondContact O-CD1 3.33Å; I192-I198 VanDerWaalsContact O-CG1 3.24Å; I192-I198 WeakPolarHBondContact O-CG1 3.43Å; E194-I198 PolarHBondContact O-N 3.48Å; I198-Q200 PolarHBondContact O-N 3.37Å; I198-L201 PolarHBondContact O-N 2.83Å; I198-G202 PolarHBondContact O-N 3.31Å
199	C	91.8	Very high	84.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-72.8	-28.9	-176.9	-64.9	0	0	0	0	113.3	C137 L138 P195 H196 F197 H203 M204 C205	C137-C199 HydrophobicContact CB-CB 3.85Å; C137-C199 WeakPolarHBondContact CB-SG 3.46Å; C137-C199 PolarHBondContact O-SG 3.37Å; C137-C199 WeakPolarHBondContact SG-CA 3.14Å; C137-C199 WeakPolarHBondContact SG-CB 3.41Å; C137-C199 CovalentContact SG-SG 2.03Å; C137-C199 PolarHBondContact SG-SG 3.16Å; L138-C199 HydrophobicContact CD2-CB 4.25Å; L138-C199 PolarHBondContact N-SG 3.02Å; L138-C199 VanDerWaalsContact N-SG 3.39Å; P195-C199 VanDerWaalsContact O-CB 3.25Å; P195-C199 WeakPolarHBondContact O-CB 3.22Å; P195-C199 PolarHBondContact O-N 2.93Å; P195-C199 PolarHBondContact O-SG 3.34Å; H196-C199 PolarHBondContact O-N 3.49Å; F197-C199 PolarHBondContact O-N 3.32Å; C199-H203 PolarHBondContact O-N 3.05Å; C199-M204 PolarHBondContact O-N 3.23Å; C199-C205 HydrophobicContact CB-CB 4.07Å; C199-C205 WeakPolarHBondContact CB-SG 3.36Å; C199-C205 PolarHBondContact O-N 2.83Å
200	Q	90.9	Very high	82.9	Confident	53 Å²	53	76.8 Å²	76.8	25%	0.248	40%	0.404	C	S	.	.	H	α-helix	trans	-73.2	-42.4	170.8	-73.5	173.4	-4.1	0	0	111.5	H196 F197 I198 G202 H203 C205 N206 T207	H196-Q200 VanDerWaalsContact O-CB 3.22Å; H196-Q200 WeakPolarHBondContact O-CB 3.33Å; H196-Q200 WeakPolarHBondContact O-CG 3.49Å; H196-Q200 PolarHBondContact O-N 3.4Å; F197-Q200 PolarHBondContact O-N 2.99Å; I198-Q200 PolarHBondContact O-N 3.37Å; Q200-G202 VanDerWaalsContact C-N 3.26Å; Q200-G202 PolarHBondContact O-N 2.91Å; Q200-H203 WeakPolarHBondContact O-CA 3.49Å; Q200-H203 PolarHBondContact O-N 2.85Å; Q200-C205 HydrophobicContact CG-CB 4.07Å; Q200-N206 PolarHBondContact NE2-O 3.48Å; Q200-T207 PolarHBondContact NE2-O 3.03Å
201	L	87.4	Confident	80.8	Confident	113 Å²	113	79.8 Å²	79.8	59%	0.592	42%	0.419	S	S	*	.	H	α-helix	trans	-60.5	-38.5	175.1	-172.1	69.8	0	0	0	111.2	F197 I198 H203	F197-L201 HydrophobicContact CE1-CD2 4.45Å; F197-L201 VanDerWaalsContact O-CB 3.25Å; F197-L201 WeakPolarHBondContact O-CB 3.49Å; F197-L201 PolarHBondContact O-N 3.41Å; I198-L201 PolarHBondContact O-N 2.83Å; L201-H203 PolarHBondContact O-N 2.88Å
202	G	85.9	Confident	78.8	Confident	44 Å²	44	78 Å²	78	45%	0.454	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.3	173.1	0	0	0	0	0	114.9	I198 Q200 M204	I198-G202 PolarHBondContact O-N 3.31Å; Q200-G202 VanDerWaalsContact C-N 3.26Å; Q200-G202 PolarHBondContact O-N 2.91Å; G202-M204 PolarHBondContact O-N 2.87Å; G202-M204 VanDerWaalsContact O-N 3.08Å
203	H	85.3	Confident	76.5	Confident	171 Å²	171	78.9 Å²	78.9	79%	0.792	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	22.3	-175.1	-56.4	-61.2	0	0	0	114.7	C199 Q200 L201	C199-H203 PolarHBondContact O-N 3.05Å; Q200-H203 WeakPolarHBondContact O-CA 3.49Å; Q200-H203 PolarHBondContact O-N 2.85Å; L201-H203 PolarHBondContact O-N 2.88Å
204	M	87.5	Confident	74.1	Confident	101 Å²	101	84.9 Å²	84.9	50%	0.498	46%	0.462	S	S	.	.	S	Bend	trans	-85.1	-28.1	175.5	-60.8	-171.6	-176.5	0	0	111.4	F133 C134 C137 C199 G202	F133-M204 HydrophobicContact CB-CB 4.35Å; C134-M204 WeakPolarHBondContact CA-O 3.48Å; C134-M204 VanDerWaalsContact CB-O 3.29Å; C134-M204 WeakPolarHBondContact CB-O 3.44Å; C134-M204 PolarHBondContact N-O 2.83Å; C137-M204 HydrophobicContact CB-CB 3.97Å; C137-M204 HydrophobicContact CB-CG 4.5Å; C137-M204 HydrophobicContact CB-SD 3.72Å; C199-M204 PolarHBondContact O-N 3.23Å; G202-M204 PolarHBondContact O-N 2.87Å; G202-M204 VanDerWaalsContact O-N 3.08Å
205	C	90.3	Very high	71.1	Confident	6 Å²	6	92 Å²	92	4%	0.041	49%	0.488	C	S	.	.	S	Bend	trans	-113.7	144.7	171	-64.5	0	0	0	0	110.6	C134 C199 Q200	C134-C205 WeakPolarHBondContact CA-SG 3.47Å; C134-C205 HydrophobicContact CB-CB 3.91Å; C134-C205 WeakPolarHBondContact CB-SG 3.4Å; C134-C205 WeakPolarHBondContact SG-CB 3.39Å; C134-C205 CovalentContact SG-SG 2.02Å; C134-C205 PolarHBondContact SG-SG 3.31Å; C199-C205 HydrophobicContact CB-CB 4.07Å; C199-C205 WeakPolarHBondContact CB-SG 3.36Å; C199-C205 PolarHBondContact O-N 2.83Å; Q200-C205 HydrophobicContact CG-CB 4.07Å
206	N	84.9	Confident	68.1	Low	125 Å²	125	102.7 Å²	102.7	67%	0.668	54%	0.544	S	S	*	.			trans	-70.6	153.2	168.3	-75	-27.9	0	0	0	110.7	Q200 T208 Y209	Q200-N206 PolarHBondContact NE2-O 3.48Å; N206-T208 PolarHBondContact O-N 3.27Å; N206-T208 VanDerWaalsContact O-N 3.08Å; N206-Y209 WeakPolarHBondContact O-CB 3.41Å; N206-Y209 PolarHBondContact O-N 2.74Å
207	T	74.4	Confident	67	Low	123 Å²	123	106 Å²	106	76%	0.755	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-17.8	176.7	52.3	0	0	0	0	113.7	Q200	Q200-T207 PolarHBondContact NE2-O 3.03Å
208	T	63.3	Low	65.8	Low	107 Å²	107	106.4 Å²	106.4	66%	0.656	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	0.7	177.7	59.5	0	0	0	0	113.9	N206 T210	N206-T208 PolarHBondContact O-N 3.27Å; N206-T208 VanDerWaalsContact O-N 3.08Å; T208-T210 PolarHBondContact O-N 2.9Å; T208-T210 PolarHBondContact O-OG1 3.41Å
209	Y	54.5	Low	64.5	Low	64 Å²	64	109.3 Å²	109.3	25%	0.251	59%	0.586	S	S	.	*			trans	-66.1	99.2	178.6	-165	-85.4	0	0	0	108.8	C134 L138 H196 N206	C134-Y209 HydrophobicContact CB-CD2 4.47Å; C134-Y209 HydrophobicContact CB-CE2 4.36Å; C134-Y209 VanDerWaalsContact SG-CD2 3.53Å; L138-Y209 HydrophobicContact CD1-CD1 3.9Å; L138-Y209 HydrophobicContact CD1-CE1 3.3Å; H196-Y209 AromaticContact CD2-CD1 3.92Å; H196-Y209 AromaticContact NE2-CD1 3.91Å; N206-Y209 WeakPolarHBondContact O-CB 3.41Å; N206-Y209 PolarHBondContact O-N 2.74Å
210	T	48.5	Very low	62.9	Low	110 Å²	110	115.8 Å²	115.8	68%	0.675	62%	0.62	S	S	*	*			trans	-111.5	118.1	167.1	40.6	0	0	0	0	103.6	T208 V212	T208-T210 PolarHBondContact O-N 2.9Å; T208-T210 PolarHBondContact O-OG1 3.41Å; T210-V212 VanDerWaalsContact C-N 3.34Å; T210-V212 VanDerWaalsContact O-CG2 3.26Å; T210-V212 WeakPolarHBondContact O-CG2 3.36Å; T210-V212 PolarHBondContact O-N 3.14Å
211	E	43.9	Very low	61.1	Low	149 Å²	149	119.7 Å²	119.7	70%	0.696	64%	0.644	S	S	*	*			trans	-18.6	84.8	-179.6	-65.5	175.8	169.6	0	0	114.1	S213	E211-S213 PolarHBondContact O-N 3.23Å
212	V	41.5	Very low	59.4	Low	96 Å²	96	120.1 Å²	120.1	58%	0.582	65%	0.647	S	S	*	*			trans	-82.6	81	169.8	-166.8	0	0	0	0	104.9	T210 N214	T210-V212 VanDerWaalsContact C-N 3.34Å; T210-V212 VanDerWaalsContact O-CG2 3.26Å; T210-V212 WeakPolarHBondContact O-CG2 3.36Å; T210-V212 PolarHBondContact O-N 3.14Å; V212-N214 PolarHBondContact O-N 2.87Å
213	S	38	Very low	57.5	Low	102 Å²	102	125.6 Å²	125.6	71%	0.713	66%	0.661	S	S	*	*			trans	-57.9	88.1	161.2	39	0	0	0	0	107.8	E211 Y215	E211-S213 PolarHBondContact O-N 3.23Å; S213-Y215 PolarHBondContact O-N 2.92Å
214	N	34.7	Very low	55.3	Low	152 Å²	152	122.1 Å²	122.1	81%	0.813	65%	0.651	S	S	*	*			trans	-68.8	80.5	164.6	-81.8	-33.4	0	0	0	108	V212	V212-N214 PolarHBondContact O-N 2.87Å
215	Y	28	Very low	52.7	Low	213 Å²	213	123.8 Å²	123.8	84%	0.835	66%	0.664	S	S	*	*			trans	-86.4	106.4	151.4	-111.1	-89	0	0	0	106.9	S213	S213-Y215 PolarHBondContact O-N 2.92Å
216	N	29.8	Very low	49.2	Very low	239 Å²	239	134.5 Å²	134.5	100%	1.278	72%	0.72	S	S	*	*			trans	-163.2	0	148.9	-92	-19.7	0	0	0	109

Retrieved 216 of 216 residues in 68.8 ms (Link to these results)

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