G4LYW8_SCHMA Loading...

Dopamine N-acetyltransferase-like

AlphaFold DB , UniProt , Accession G4LYW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 280 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	36.6	Very low	38	Very low	248 Å²	248	182.1 Å²	182.1	100%	1.222	87%	0.865	S	S	*	*				0	102.7	0	-137.3	175.3	174.8	0	0	107.5	K3	M1-K3 PolarHBondContact O-N 3.41Å
2	I	36.1	Very low	38.7	Very low	163 Å²	163	176.8 Å²	176.8	84%	0.836	84%	0.844	S	S	*	*			trans	-79.1	117.3	-174.3	-62.5	167.6	0	0	0	107.7
3	K	35.1	Very low	39.2	Very low	209 Å²	209	168.4 Å²	168.4	91%	0.909	81%	0.814	S	S	*	*			trans	-102	109.4	171.9	-122.8	177.4	-178.1	177.7	0	109	M1	M1-K3 PolarHBondContact O-N 3.41Å
4	V	38.6	Very low	40.2	Very low	121 Å²	121	163.2 Å²	163.2	73%	0.733	80%	0.8	S	S	*	*			trans	-56.4	136.4	-174	171.4	0	0	0	0	112.2	N6	V4-N6 PolarHBondContact O-N 3.15Å
5	Q	37.4	Very low	41.1	Very low	184 Å²	184	156.7 Å²	156.7	86%	0.86	78%	0.777	S	S	*	*			trans	-48.4	111.1	167.4	-74.1	167.2	-46.1	0	0	110.7	R7	Q5-R7 PolarHBondContact O-N 3.17Å
6	N	35.7	Very low	41.8	Very low	161 Å²	161	151.5 Å²	151.5	86%	0.861	76%	0.757	S	S	*	*			trans	-85.7	116.2	169.6	-127.2	-9.6	0	0	0	109	V4 R8	V4-N6 PolarHBondContact O-N 3.15Å; N6-R8 PolarHBondContact O-N 3.24Å
7	R	39.1	Very low	42.6	Very low	237 Å²	237	148.4 Å²	148.4	89%	0.894	74%	0.743	S	S	*	*			trans	-40.1	123.7	177.1	-74.8	173.4	172.1	175.7	-3.9	110.8	Q5 S9	Q5-R7 PolarHBondContact O-N 3.17Å; R7-S9 VanDerWaalsContact C-N 3.29Å; R7-S9 PolarHBondContact O-N 2.97Å
8	R	36.4	Very low	43.4	Very low	239 Å²	239	145.8 Å²	145.8	90%	0.902	73%	0.73	S	S	*	*			trans	-62.5	93.6	165	-77.1	-179.9	176.1	177	-1.6	107.9	N6 I10	N6-R8 PolarHBondContact O-N 3.24Å; R8-I10 PolarHBondContact O-N 3.15Å; R8-I10 VanDerWaalsContact O-N 3.1Å
9	S	39.1	Very low	43.5	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	73%	0.727	S	S	*	*			trans	-63.2	108.4	158.9	-175.4	0	0	0	0	106.1	R7 K11	R7-S9 VanDerWaalsContact C-N 3.29Å; R7-S9 PolarHBondContact O-N 2.97Å; S9-K11 PolarHBondContact O-N 2.94Å
10	I	43.6	Very low	44.3	Very low	144 Å²	144	145.9 Å²	145.9	74%	0.738	72%	0.72	S	S	*	*			trans	-64.3	94.1	172.9	-61.8	171.6	0	0	0	105.3	R8 I12	R8-I10 PolarHBondContact O-N 3.15Å; R8-I10 VanDerWaalsContact O-N 3.1Å; I10-I12 HydrophobicContact CG2-CG1 3.96Å; I10-I12 PolarHBondContact O-N 3.35Å
11	K	40.1	Very low	44.8	Very low	194 Å²	194	143 Å²	143	84%	0.843	71%	0.711	S	S	*	*			trans	-67	91.2	165.9	-77.1	-175.6	176.3	-178.2	0	106.2	S9 C13	S9-K11 PolarHBondContact O-N 2.94Å; K11-C13 PolarHBondContact O-N 2.64Å
12	I	46.6	Very low	45.4	Very low	118 Å²	118	137 Å²	137	61%	0.605	68%	0.678	S	S	*	*			trans	-61.8	111	166.5	-59.5	174.9	0	0	0	105.2	I10 I17	I10-I12 HydrophobicContact CG2-CG1 3.96Å; I10-I12 PolarHBondContact O-N 3.35Å; I12-I17 HydrophobicContact CG2-CD1 4.12Å; I12-I17 HydrophobicContact CG2-CG1 3.98Å
13	C	45.5	Very low	46	Very low	68 Å²	68	133.9 Å²	133.9	46%	0.459	66%	0.663	S	S	.	*			trans	-69.6	134	-177.5	-153.3	0	0	0	0	107.6	K11 S15 T16	K11-C13 PolarHBondContact O-N 2.64Å; C13-S15 PolarHBondContact O-N 2.81Å; C13-T16 PolarHBondContact O-N 3.33Å; C13-T16 PolarHBondContact O-OG1 2.95Å
14	P	53.6	Low	46.6	Very low	96 Å²	96	127.1 Å²	127.1	62%	0.623	64%	0.642	S	S	*	*	H	α-helix	trans	-56.8	-24.4	-179.3	17.6	-29.1	0	0	0	112.9	T16 I17 I18	P14-T16 VanDerWaalsContact C-N 3.31Å; P14-T16 PolarHBondContact O-N 2.44Å; P14-I17 PolarHBondContact O-N 2.68Å; P14-I18 WeakPolarHBondContact O-CG1 3.24Å; P14-I18 PolarHBondContact O-N 2.78Å
15	S	53.2	Low	46.8	Very low	65 Å²	65	128.4 Å²	128.4	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-62.8	-31	172.8	54.5	0	0	0	0	114	C13 W19	C13-S15 PolarHBondContact O-N 2.81Å; S15-W19 PolarHBondContact O-N 3.39Å
16	T	51.8	Low	47	Very low	74 Å²	74	124.7 Å²	124.7	45%	0.454	62%	0.619	S	S	.	*	H	α-helix	trans	-75.9	-32.5	-178.7	-19.2	0	0	0	0	111.9	C13 P14 W19 I20	C13-T16 PolarHBondContact O-N 3.33Å; C13-T16 PolarHBondContact O-OG1 2.95Å; P14-T16 VanDerWaalsContact C-N 3.31Å; P14-T16 PolarHBondContact O-N 2.44Å; T16-W19 PolarHBondContact O-N 2.7Å; T16-I20 PolarHBondContact O-N 3.19Å
17	I	56.3	Low	47.3	Very low	99 Å²	99	122.3 Å²	122.3	51%	0.508	61%	0.61	S	S	.	*	H	α-helix	trans	-68.7	-41	174.3	-60.8	176.9	0	0	0	110	I12 P14 W19 I20 V21	I12-I17 HydrophobicContact CG2-CD1 4.12Å; I12-I17 HydrophobicContact CG2-CG1 3.98Å; P14-I17 PolarHBondContact O-N 2.68Å; I17-W19 VanDerWaalsContact C-N 3.26Å; I17-W19 PolarHBondContact O-N 2.72Å; I17-I20 PolarHBondContact O-N 3.1Å; I17-V21 WeakPolarHBondContact O-CG2 3.41Å; I17-V21 PolarHBondContact O-N 3.38Å
18	I	56.3	Low	47.2	Very low	101 Å²	101	119 Å²	119	52%	0.518	61%	0.605	S	S	.	*	H	α-helix	trans	-60.1	-38	175.9	-65.3	166.8	0	0	0	110.8	P14 V21 F22	P14-I18 WeakPolarHBondContact O-CG1 3.24Å; P14-I18 PolarHBondContact O-N 2.78Å; I18-V21 PolarHBondContact O-N 2.92Å; I18-F22 HydrophobicContact CG2-CD2 4.04Å; I18-F22 HydrophobicContact CG2-CE2 4.45Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 3.06Å
19	W	46.4	Very low	47.1	Very low	176 Å²	176	111.2 Å²	111.2	67%	0.667	58%	0.58	S	S	*	*	H	α-helix	trans	-69	-38	176.7	-93.2	94	0	0	0	114	S15 T16 I17 F22 L23	S15-W19 PolarHBondContact O-N 3.39Å; T16-W19 PolarHBondContact O-N 2.7Å; I17-W19 VanDerWaalsContact C-N 3.26Å; I17-W19 PolarHBondContact O-N 2.72Å; W19-F22 PolarHBondContact O-N 3.15Å; W19-L23 HydrophobicContact CE3-CD1 4.3Å; W19-L23 WeakPolarHBondContact O-CB 3.48Å; W19-L23 PolarHBondContact O-N 3Å
20	I	58.4	Low	46.8	Very low	117 Å²	117	115.1 Å²	115.1	60%	0.6	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-40.9	175.7	-66.4	171	0	0	0	110.1	T16 I17 F22 L23 S24	T16-I20 PolarHBondContact O-N 3.19Å; I17-I20 PolarHBondContact O-N 3.1Å; I20-F22 VanDerWaalsContact C-N 3.34Å; I20-L23 PolarHBondContact O-N 3.04Å; I20-S24 PolarHBondContact O-N 3Å; I20-S24 PolarHBondContact O-OG 3.28Å
21	V	56.1	Low	46.4	Very low	87 Å²	87	111.5 Å²	111.5	53%	0.527	58%	0.575	S	S	.	*	H	α-helix	trans	-65.4	-37.8	174	178.7	0	0	0	0	111.1	I17 I18 S24 Y25	I17-V21 WeakPolarHBondContact O-CG2 3.41Å; I17-V21 PolarHBondContact O-N 3.38Å; I18-V21 PolarHBondContact O-N 2.92Å; V21-S24 WeakPolarHBondContact CA-OG 3.39Å; V21-S24 PolarHBondContact O-OG 3.11Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 3.23Å
22	F	49.1	Very low	46.3	Very low	122 Å²	122	106.2 Å²	106.2	54%	0.535	57%	0.567	S	S	.	*	H	α-helix	trans	-65.8	-39.7	174.4	-109.9	-90.5	0	0	0	112.5	I18 W19 I20 Y25 I26	I18-F22 HydrophobicContact CG2-CD2 4.04Å; I18-F22 HydrophobicContact CG2-CE2 4.45Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 3.06Å; W19-F22 PolarHBondContact O-N 3.15Å; I20-F22 VanDerWaalsContact C-N 3.34Å; F22-Y25 PolarHBondContact O-N 3.13Å; F22-I26 WeakPolarHBondContact O-CB 3.45Å; F22-I26 WeakPolarHBondContact O-CD1 3.5Å; F22-I26 WeakPolarHBondContact O-CG1 3.44Å; F22-I26 PolarHBondContact O-N 3.4Å
23	L	47.8	Very low	45.8	Very low	97 Å²	97	104.3 Å²	104.3	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-71.6	-38.5	177.8	-86.5	156	0	0	0	112.2	W19 I20 Y25 I26 V27	W19-L23 HydrophobicContact CE3-CD1 4.3Å; W19-L23 WeakPolarHBondContact O-CB 3.48Å; W19-L23 PolarHBondContact O-N 3Å; I20-L23 PolarHBondContact O-N 3.04Å; L23-Y25 VanDerWaalsContact C-N 3.33Å; L23-I26 PolarHBondContact O-N 3.3Å; L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3Å
24	S	47.2	Very low	45.6	Very low	66 Å²	66	103 Å²	103	46%	0.462	55%	0.551	S	S	.	*	H	α-helix	trans	-70.8	-30.7	172	52.1	0	0	0	0	112.2	I20 V21 V27 H28	I20-S24 PolarHBondContact O-N 3Å; I20-S24 PolarHBondContact O-OG 3.28Å; V21-S24 WeakPolarHBondContact CA-OG 3.39Å; V21-S24 PolarHBondContact O-OG 3.11Å; S24-V27 PolarHBondContact O-N 2.99Å; S24-H28 WeakPolarHBondContact O-CB 3.47Å; S24-H28 PolarHBondContact O-N 3.44Å
25	Y	43	Very low	45.4	Very low	149 Å²	149	103.6 Å²	103.6	58%	0.584	54%	0.544	S	S	*	.	H	α-helix	trans	-69.7	-33.3	171	-161.6	-118.3	0	0	0	111.9	V21 F22 L23 V27 H28 I29	V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 3.23Å; F22-Y25 PolarHBondContact O-N 3.13Å; L23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-V27 VanDerWaalsContact C-N 3.35Å; Y25-H28 CarbonylContact O-C 3.59Å; Y25-H28 PolarHBondContact O-N 3.03Å; Y25-I29 HydrophobicContact CD1-CD1 3.29Å; Y25-I29 HydrophobicContact CD1-CG1 4.23Å; Y25-I29 HydrophobicContact CD2-CD1 4.35Å; Y25-I29 HydrophobicContact CE1-CD1 3.06Å; Y25-I29 HydrophobicContact CE1-CG1 4.08Å; Y25-I29 HydrophobicContact CE2-CD1 4.16Å; Y25-I29 HydrophobicContact CE2-CG1 4.34Å; Y25-I29 HydrophobicContact CG-CD1 3.94Å; Y25-I29 HydrophobicContact CG-CG1 4.42Å; Y25-I29 WeakPolarHBondContact O-CB 3.39Å; Y25-I29 WeakPolarHBondContact O-CG1 3.16Å; Y25-I29 PolarHBondContact O-N 2.92Å
26	I	41.9	Very low	45.4	Very low	105 Å²	105	100.9 Å²	100.9	54%	0.538	52%	0.524	S	S	.	.	H	α-helix	trans	-71.1	-29.9	172.5	-70.1	163.7	0	0	0	111.6	F22 L23	F22-I26 WeakPolarHBondContact O-CB 3.45Å; F22-I26 WeakPolarHBondContact O-CD1 3.5Å; F22-I26 WeakPolarHBondContact O-CG1 3.44Å; F22-I26 PolarHBondContact O-N 3.4Å; L23-I26 PolarHBondContact O-N 3.3Å
27	V	42.2	Very low	45.2	Very low	111 Å²	111	97.5 Å²	97.5	67%	0.673	50%	0.503	S	S	*	.	H	α-helix	trans	-82.1	-18.7	174.2	177.1	0	0	0	0	112.6	L23 S24 Y25	L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3Å; S24-V27 PolarHBondContact O-N 2.99Å; Y25-V27 VanDerWaalsContact C-N 3.35Å
28	H	36.2	Very low	44.9	Very low	169 Å²	169	92.8 Å²	92.8	78%	0.782	48%	0.478	S	S	*	.	H	α-helix	trans	-103	-6.7	173.4	-92.3	10.9	0	0	0	115.2	S24 Y25 E30	S24-H28 WeakPolarHBondContact O-CB 3.47Å; S24-H28 PolarHBondContact O-N 3.44Å; Y25-H28 CarbonylContact O-C 3.59Å; Y25-H28 PolarHBondContact O-N 3.03Å; H28-E30 PolarHBondContact O-N 3.46Å
29	I	34.5	Very low	44.8	Very low	75 Å²	75	88.3 Å²	88.3	39%	0.385	46%	0.457	S	S	.	.			trans	-89.7	69.9	158.4	-61.1	166.1	0	0	0	106.7	Y25 S31	Y25-I29 HydrophobicContact CD1-CD1 3.29Å; Y25-I29 HydrophobicContact CD1-CG1 4.23Å; Y25-I29 HydrophobicContact CD2-CD1 4.35Å; Y25-I29 HydrophobicContact CE1-CD1 3.06Å; Y25-I29 HydrophobicContact CE1-CG1 4.08Å; Y25-I29 HydrophobicContact CE2-CD1 4.16Å; Y25-I29 HydrophobicContact CE2-CG1 4.34Å; Y25-I29 HydrophobicContact CG-CD1 3.94Å; Y25-I29 HydrophobicContact CG-CG1 4.42Å; Y25-I29 WeakPolarHBondContact O-CB 3.39Å; Y25-I29 WeakPolarHBondContact O-CG1 3.16Å; Y25-I29 PolarHBondContact O-N 2.92Å; I29-S31 VanDerWaalsContact CG2-CA 3.45Å; I29-S31 PolarHBondContact O-N 3.29Å
30	E	33.3	Very low	45.2	Very low	184 Å²	184	80.2 Å²	80.2	86%	0.86	43%	0.427	S	S	*	.				-57	75.7	125.3	-74.6	-175.7	162.1	0	0	105.8	H28 A32	H28-E30 PolarHBondContact O-N 3.46Å; E30-A32 PolarHBondContact O-N 3.17Å
31	S	35.5	Very low	44.8	Very low	69 Å²	69	74.8 Å²	74.8	48%	0.483	40%	0.4	S	S	.	.			trans	-58.9	109.4	162.9	178.2	0	0	0	0	101.7	I29 T33	I29-S31 VanDerWaalsContact CG2-CA 3.45Å; I29-S31 PolarHBondContact O-N 3.29Å; S31-T33 PolarHBondContact O-N 3.36Å; S31-T33 PolarHBondContact O-OG1 2.86Å; S31-T33 PolarHBondContact OG-N 3.42Å
32	A	37.9	Very low	44.2	Very low	83 Å²	83	71.3 Å²	71.3	69%	0.686	38%	0.377	S	S	*	.			trans	-57.5	64	151.8	0	0	0	0	0	107.7	E30 T34	E30-A32 PolarHBondContact O-N 3.17Å; A32-T34 PolarHBondContact O-N 3.39Å
33	T	36.1	Very low	44.3	Very low	78 Å²	78	65.5 Å²	65.5	48%	0.479	35%	0.352	S	S	.	.			trans	-52	105.6	144.1	47.3	0	0	0	0	102.7	S31 K35	S31-T33 PolarHBondContact O-N 3.36Å; S31-T33 PolarHBondContact O-OG1 2.86Å; S31-T33 PolarHBondContact OG-N 3.42Å; T33-K35 PolarHBondContact O-N 3.4Å
34	T	40.5	Very low	44	Very low	39 Å²	39	63.8 Å²	63.8	24%	0.239	34%	0.343	C	S	.	.			trans	-67.4	84.9	179.3	40.5	0	0	0	0	106.3	A32 K36 S175 N177 N226	A32-T34 PolarHBondContact O-N 3.39Å; T34-K36 PolarHBondContact O-N 2.85Å; T34-S175 WeakPolarHBondContact OG1-CB 3.49Å; T34-S175 PolarHBondContact OG1-OG 3.31Å; T34-N177 PolarHBondContact O-OD1 2.98Å; T34-N226 WeakPolarHBondContact CG2-ND2 3.37Å
35	K	49.5	Very low	43.9	Very low	110 Å²	110	61.7 Å²	61.7	48%	0.478	33%	0.332	S	S	.	.			trans	-69.4	120	176.1	-70.3	176.8	-176.2	170.3	0	107.1	T33	T33-K35 PolarHBondContact O-N 3.4Å
36	K	53.8	Low	43.8	Very low	8 Å²	8	61.4 Å²	61.4	4%	0.035	34%	0.341	C	S	.	.			trans	-100.6	141.5	-179.5	-63.1	-177	179.4	139.1	0	113	T34 F38 L173 S175 N177 N178 N226 A228	T34-K36 PolarHBondContact O-N 2.85Å; K36-F38 HydrophobicContact CB-CE2 4.37Å; K36-F38 HydrophobicContact CB-CZ 4.39Å; K36-L173 HydrophobicContact CD-CB 4.34Å; K36-L173 HydrophobicContact CD-CD1 3.13Å; K36-L173 HydrophobicContact CD-CG 4.32Å; K36-L173 VanDerWaalsContact CE-CD1 3.49Å; K36-S175 PolarHBondContact NZ-OG 2.94Å; K36-N177 HydrophobicContact CB-CB 3.93Å; K36-N177 WeakPolarHBondContact CB-OD1 3.41Å; K36-N177 WeakPolarHBondContact CD-OD1 3.33Å; K36-N177 WeakPolarHBondContact CG-OD1 3.47Å; K36-N178 CarbonylContact O-C 3.23Å; K36-N178 PolarHBondContact O-N 3.36Å; K36-N226 VanDerWaalsContact CA-O 3.27Å; K36-N226 WeakPolarHBondContact CA-O 3.23Å; K36-N226 HydrophobicContact CG-CB 4.17Å; K36-N226 WeakPolarHBondContact CG-O 3.39Å; K36-A228 HydrophobicContact CB-CB 3.86Å; K36-A228 HydrophobicContact CD-CB 3.99Å; K36-A228 HydrophobicContact CG-CB 4.27Å
37	L	47.8	Very low	44.2	Very low	2 Å²	2	59 Å²	59	1%	0.01	33%	0.325	C	S	.	.			trans	-129.4	130.2	-164.4	-103.9	156.4	0	0	0	108.9	R180 L181 E218 H225 V227 A228	L37-R180 HydrophobicContact CD1-CB 4.46Å; L37-R180 HydrophobicContact CD2-CB 3.61Å; L37-R180 HydrophobicContact CG-CB 4.18Å; L37-L181 HydrophobicContact CD2-CB 4.45Å; L37-E218 WeakPolarHBondContact CB-OE1 3.34Å; L37-E218 HydrophobicContact CD1-CB 4.3Å; L37-E218 VanDerWaalsContact CD1-CD 3.41Å; L37-E218 HydrophobicContact CD1-CG 4.34Å; L37-E218 WeakPolarHBondContact CD1-OE2 3.36Å; L37-E218 WeakPolarHBondContact CD2-OE1 3.31Å; L37-E218 VanDerWaalsContact CD2-OE2 3.29Å; L37-E218 WeakPolarHBondContact CD2-OE2 3.33Å; L37-E218 WeakPolarHBondContact CG-OE1 2.91Å; L37-H225 WeakPolarHBondContact CD1-NE2 3.41Å; L37-V227 HydrophobicContact CB-CG2 4.22Å; L37-V227 WeakPolarHBondContact O-CG1 3.27Å; L37-A228 CarbonylContact C-O 3.47Å; L37-A228 CarbonylContact O-C 3.57Å; L37-A228 PolarHBondContact O-N 3.4Å
38	F	48.7	Very low	44.5	Very low	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.			trans	-110.8	109.4	-170.2	-62.3	-89.7	0	0	0	113.9	K36 R165 D166 A169 E179 R182 A228 F230 L267	K36-F38 HydrophobicContact CB-CE2 4.37Å; K36-F38 HydrophobicContact CB-CZ 4.39Å; F38-R165 HydrophobicContact CD1-CB 4.44Å; F38-R165 HydrophobicContact CG-CB 4.43Å; F38-D166 WeakPolarHBondContact CD2-OD1 3.02Å; F38-D166 WeakPolarHBondContact CE2-OD1 3.39Å; F38-A169 HydrophobicContact CE1-CB 3.75Å; F38-A169 HydrophobicContact CE2-CB 4.28Å; F38-A169 HydrophobicContact CZ-CB 3.21Å; F38-E179 HydrophobicContact CB-CG 4.04Å; F38-E179 HydrophobicContact CD2-CB 4.03Å; F38-E179 HydrophobicContact CD2-CG 4.29Å; F38-R182 PolarHBondContact O-NH1 3.26Å; F38-A228 WeakPolarHBondContact CA-O 3.26Å; F38-A228 HydrophobicContact CD1-CB 4.33Å; F38-A228 WeakPolarHBondContact CD1-O 3.46Å; F38-A228 HydrophobicContact CE1-CB 3.6Å; F38-A228 WeakPolarHBondContact CE1-O 3.34Å; F38-A228 WeakPolarHBondContact CG-O 3.29Å; F38-A228 HydrophobicContact CZ-CB 3.72Å; F38-F230 AromaticContact CD1-CD2 3.51Å; F38-F230 HydrophobicContact CD1-CD2 3.51Å; F38-F230 AromaticContact CD1-CE2 3.33Å; F38-F230 HydrophobicContact CD1-CE2 3.33Å; F38-F230 HydrophobicContact CD1-CZ 4.39Å; F38-F230 AromaticContact CE1-CD2 3.76Å; F38-F230 HydrophobicContact CE1-CD2 3.76Å; F38-F230 AromaticContact CE1-CE2 3.13Å; F38-F230 HydrophobicContact CE1-CE2 3.13Å; F38-F230 AromaticContact CE1-CZ 3.8Å; F38-F230 HydrophobicContact CE1-CZ 3.8Å; F38-F230 HydrophobicContact CG-CE2 4.43Å; F38-F230 HydrophobicContact CZ-CE2 4.11Å; F38-L267 HydrophobicContact CE1-CD1 4.31Å
39	G	54.9	Low	45.2	Very low	7 Å²	7	52.6 Å²	52.6	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.3	162.1	0	0	0	0	0	111.9	Y214	G39-Y214 PolarHBondContact N-OH 3.33Å
40	H	53.9	Low	45.9	Very low	6 Å²	6	54 Å²	54	3%	0.028	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.9	165.6	-97.8	-85.8	0	0	0	111.5	Y80 Y84 R182 Y183 R185 F230 W261 R265	H40-Y80 HydrophobicContact CB-CE2 3.97Å; H40-Y80 WeakPolarHBondContact CB-OH 3.18Å; H40-Y84 HydrophobicContact CB-CD1 4.38Å; H40-Y84 HydrophobicContact CB-CE1 4.49Å; H40-Y84 AromaticContact CG-CD1 3.98Å; H40-Y84 AromaticContact ND1-CD1 3.35Å; H40-Y84 WeakPolarHBondContact ND1-CD1 3.07Å; H40-Y84 AromaticContact ND1-CE1 3.41Å; H40-Y84 WeakPolarHBondContact ND1-CE1 3.23Å; H40-R182 PolarHBondContact CD2-NH1 2.79Å; H40-R182 VanDerWaalsContact CD2-NH1 3.26Å; H40-R182 PolarHBondContact CD2-NH2 2.76Å; H40-Y183 PolarHBondContact N-O 3.16Å; H40-R185 PolarHBondContact O-N 3.1Å; H40-F230 PolarHBondContact CE1-O 2.87Å; H40-W261 AromaticContact CE1-CH2 3.15Å; H40-W261 WeakPolarHBondContact CE1-CH2 3.47Å; H40-W261 AromaticContact CE1-CZ2 3.39Å; H40-W261 WeakPolarHBondContact CE1-CZ2 3.38Å; H40-W261 AromaticContact NE2-CH2 3.29Å; H40-W261 VanDerWaalsContact NE2-CH2 3.29Å; H40-W261 WeakPolarHBondContact NE2-CH2 3.37Å; H40-W261 AromaticContact NE2-CZ2 3.83Å; H40-R265 PolarHBondContact CE1-NH1 3.05Å; H40-R265 PolarHBondContact ND1-NH1 3.21Å
41	A	51	Low	46.7	Very low	4 Å²	4	51.2 Å²	51.2	3%	0.033	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.2	170.3	0	0	0	0	0	111.2	Y84 F239	A41-Y84 PolarHBondContact O-OH 2.98Å; A41-F239 HydrophobicContact CB-CE2 3.98Å; A41-F239 HydrophobicContact CB-CZ 3.74Å
42	K	44.4	Very low	47.2	Very low	13 Å²	13	54.5 Å²	54.5	6%	0.057	30%	0.296	C	S	.	.			trans	-99.3	104.9	151.9	179.9	-162.6	156.7	158.8	0	107.6	D44 E76 Y84 R185	K42-D44 VanDerWaalsContact CE-CG 3.47Å; K42-D44 WeakPolarHBondContact CE-OD2 3.06Å; K42-D44 HydrophobicContact CG-CB 4.48Å; K42-D44 IonicContact NZ-OD2 2.75Å; K42-D44 PolarHBondContact NZ-OD2 2.63Å; K42-E76 WeakPolarHBondContact CE-OE2 3.39Å; K42-E76 IonicContact NZ-OE1 3.44Å; K42-E76 IonicContact NZ-OE2 3.77Å; K42-E76 PolarHBondContact NZ-OE2 3.06Å; K42-Y84 WeakPolarHBondContact CA-OH 3.44Å; K42-Y84 HydrophobicContact CB-CE2 4.34Å; K42-R185 PolarHBondContact N-O 2.95Å
43	L	49.3	Very low	47.5	Very low	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.299	C	S	.	.			trans	-109.6	98	156.8	-70	170.3	0	0	0	105.2	M203 V207 H238	L43-M203 HydrophobicContact CD2-CE 3.98Å; L43-M203 HydrophobicContact CD2-SD 3.58Å; L43-M203 VanDerWaalsContact CD2-SD 3.58Å; L43-V207 HydrophobicContact CD1-CG2 4.47Å; L43-V207 HydrophobicContact CD2-CG2 4.36Å; L43-H238 HydrophobicContact CD1-CB 4.44Å; L43-H238 VanDerWaalsContact CD1-CD2 3.47Å; L43-H238 WeakPolarHBondContact CD1-CD2 3.28Å
44	D	42.6	Very low	48	Very low	60 Å²	60	57 Å²	57	32%	0.321	30%	0.303	S	S	.	.			trans	-93.6	95.3	172.3	-78.7	-2.3	0	0	0	107.5	K42 Y47 R83	K42-D44 VanDerWaalsContact CE-CG 3.47Å; K42-D44 WeakPolarHBondContact CE-OD2 3.06Å; K42-D44 HydrophobicContact CG-CB 4.48Å; K42-D44 IonicContact NZ-OD2 2.75Å; K42-D44 PolarHBondContact NZ-OD2 2.63Å; D44-Y47 PolarHBondContact O-OH 3.3Å; D44-R83 IonicContact OD1-NH1 2.63Å; D44-R83 IonicContact OD2-CZ 3.3Å; D44-R83 IonicContact OD2-NH1 3.3Å; D44-R83 PolarHBondContact OD2-NH1 2.92Å; D44-R83 IonicContact OD2-NH2 2.92Å; D44-R83 PolarHBondContact OD2-NH2 3.33Å
45	G	45	Very low	48.3	Very low	22 Å²	22	60.8 Å²	60.8	23%	0.227	32%	0.321	C	S	.	.	S	Bend	trans	163.5	146.8	173.8	0	0	0	0	0	110.8	Y47	G45-Y47 VanDerWaalsContact O-CD2 3.24Å; G45-Y47 WeakPolarHBondContact O-CD2 3.37Å; G45-Y47 PolarHBondContact O-N 3.47Å
46	N	40.7	Very low	48.3	Very low	143 Å²	143	59.9 Å²	59.9	77%	0.765	33%	0.325	S	S	*	.			trans	-81.2	73.7	176.2	-161.5	9.9	0	0	0	108.6	Q48	N46-Q48 PolarHBondContact O-N 3.4Å
47	Y	50.4	Low	48.6	Very low	55 Å²	55	64.5 Å²	64.5	22%	0.216	36%	0.358	C	S	.	.			trans	-86.3	93.7	-176.9	-58.9	-73.8	0	0	0	109.8	D44 G45 I49 H187 M203 H238	D44-Y47 PolarHBondContact O-OH 3.3Å; G45-Y47 VanDerWaalsContact O-CD2 3.24Å; G45-Y47 WeakPolarHBondContact O-CD2 3.37Å; G45-Y47 PolarHBondContact O-N 3.47Å; Y47-I49 PolarHBondContact O-N 3.39Å; Y47-I49 VanDerWaalsContact O-N 3.1Å; Y47-H187 AromaticContact CZ-CE1 3.99Å; Y47-H187 PolarHBondContact OH-CE1 3.48Å; Y47-M203 HydrophobicContact CD1-CE 4.21Å; Y47-M203 HydrophobicContact CD2-CE 3.86Å; Y47-M203 HydrophobicContact CE1-CE 4Å; Y47-M203 HydrophobicContact CE2-CE 3.59Å; Y47-M203 HydrophobicContact CG-CE 4.15Å; Y47-M203 HydrophobicContact CG-CG 4.44Å; Y47-H238 PolarHBondContact O-CE1 3.02Å; Y47-H238 PolarHBondContact O-NE2 3.23Å
48	Q	48	Very low	50	Low	121 Å²	121	66.3 Å²	66.3	57%	0.565	38%	0.377	S	S	*	.			trans	-75	94.7	161.7	-66.9	-164.9	-0	0	0	108.1	N46 N50	N46-Q48 PolarHBondContact O-N 3.4Å; Q48-N50 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 3.17Å
49	I	50.9	Low	51.9	Low	24 Å²	24	68.3 Å²	68.3	12%	0.123	39%	0.386	C	S	.	.			trans	-67.1	103.6	161	-59.8	171	0	0	0	105.2	Y47 R204 H238	Y47-I49 PolarHBondContact O-N 3.39Å; Y47-I49 VanDerWaalsContact O-N 3.1Å; I49-R204 HydrophobicContact CD1-CB 4.5Å; I49-H238 VanDerWaalsContact CD1-CE1 3.43Å; I49-H238 WeakPolarHBondContact CD1-CE1 3.34Å; I49-H238 WeakPolarHBondContact CD1-ND1 3.42Å
50	N	49.6	Very low	53.7	Low	105 Å²	105	68.2 Å²	68.2	56%	0.561	38%	0.384	S	S	*	.			trans	-72.1	125.9	164.8	-70.3	-23.9	0	0	0	106.4	Q48 H52	Q48-N50 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 3.17Å; N50-H52 PolarHBondContact O-N 3.37Å
51	D	49.9	Very low	55.6	Low	125 Å²	125	72 Å²	72	67%	0.668	40%	0.398	S	S	*	.			trans	-66.8	80.1	176.3	-76.5	-39	0	0	0	109.3
52	H	46.1	Very low	57.6	Low	139 Å²	139	74.5 Å²	74.5	64%	0.644	42%	0.415	S	S	*	.			trans	-111	116.5	164.8	-71.8	7.5	0	0	0	106.7	N50 D54 R204	N50-H52 PolarHBondContact O-N 3.37Å; H52-D54 PolarHBondContact O-N 3.31Å; H52-R204 PolarHBondContact O-NH1 2.93Å
53	S	45.2	Very low	60	Low	107 Å²	107	77.2 Å²	77.2	75%	0.748	43%	0.427	S	S	*	.			trans	-76	65.1	-171.9	58.2	0	0	0	0	111.5
54	D	45.5	Very low	62.1	Low	105 Å²	105	81.6 Å²	81.6	56%	0.561	45%	0.448	S	S	*	.			trans	-114.8	81.3	167.1	-69.6	-31.3	0	0	0	108.2	H52 V56 L201	H52-D54 PolarHBondContact O-N 3.31Å; D54-V56 PolarHBondContact O-N 3.23Å; D54-L201 WeakPolarHBondContact O-CD2 3.4Å
55	L	46.7	Very low	64.7	Low	120 Å²	120	79.3 Å²	79.3	63%	0.628	44%	0.436	S	S	*	.			trans	-72.1	69.8	165.6	-87.7	156.4	0	0	0	108.4	S57	L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 3.43Å
56	V	49.5	Very low	67.1	Low	91 Å²	91	80.4 Å²	80.4	55%	0.552	44%	0.442	S	S	*	.			trans	-79.8	91.5	157.8	-174.4	0	0	0	0	105.7	D54 F59	D54-V56 PolarHBondContact O-N 3.23Å; V56-F59 HydrophobicContact CB-CE2 4.07Å; V56-F59 HydrophobicContact CB-CZ 4.27Å; V56-F59 HydrophobicContact CG1-CE2 4.3Å; V56-F59 HydrophobicContact CG1-CZ 4.23Å; V56-F59 WeakPolarHBondContact O-CE2 3.44Å
57	S	60.6	Low	69.6	Low	104 Å²	104	77.9 Å²	77.9	73%	0.727	43%	0.432	S	S	*	.			trans	-58.7	135.6	166.6	53.6	0	0	0	0	109	L55	L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 3.43Å
58	G	76.8	Confident	71.8	Confident	40 Å²	40	82.3 Å²	82.3	41%	0.412	46%	0.459	S	S	.	.			trans	122.5	35.5	170.7	0	0	0	0	0	116.2	I131	G58-I131 WeakPolarHBondContact O-CD1 3.18Å
59	F	88.2	Confident	74.1	Confident	43 Å²	43	76.6 Å²	76.6	19%	0.189	43%	0.432	C	S	.	.	S	Bend	trans	-100.9	-32.9	165.3	-58.9	-74	0	0	0	112.3	V56 I131 I198 L201 M202	V56-F59 HydrophobicContact CB-CE2 4.07Å; V56-F59 HydrophobicContact CB-CZ 4.27Å; V56-F59 HydrophobicContact CG1-CE2 4.3Å; V56-F59 HydrophobicContact CG1-CZ 4.23Å; V56-F59 WeakPolarHBondContact O-CE2 3.44Å; F59-I131 PolarHBondContact O-N 3.48Å; F59-I198 HydrophobicContact CD1-CD1 3.94Å; F59-I198 HydrophobicContact CD1-CG2 4.16Å; F59-I198 HydrophobicContact CE1-CD1 3.26Å; F59-I198 HydrophobicContact CZ-CD1 3.78Å; F59-L201 HydrophobicContact CD2-CB 3.9Å; F59-L201 HydrophobicContact CE2-CB 3.75Å; F59-L201 HydrophobicContact CE2-CD1 3.66Å; F59-L201 HydrophobicContact CE2-CG 4.28Å; F59-L201 HydrophobicContact CZ-CD1 3.82Å; F59-M202 HydrophobicContact CB-CG 3.44Å; F59-M202 VanDerWaalsContact CB-CG 3.44Å; F59-M202 HydrophobicContact CB-SD 4.47Å; F59-M202 HydrophobicContact CG-CG 4.18Å
60	L	92.7	Very high	76.2	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.4	173.4	-56.7	174.2	0	0	0	110.3	W128 R129 Y137 M202 Q205 F206	L60-W128 HydrophobicContact CD1-CB 4.3Å; L60-R129 VanDerWaalsContact CA-O 3.29Å; L60-R129 WeakPolarHBondContact CA-O 3.43Å; L60-Y137 HydrophobicContact CD1-CD1 3.4Å; L60-Y137 VanDerWaalsContact CD1-CD1 3.4Å; L60-Y137 HydrophobicContact CD1-CE1 3.76Å; L60-Y137 HydrophobicContact CD1-CG 4.07Å; L60-Y137 HydrophobicContact CD2-CD1 3.85Å; L60-Y137 HydrophobicContact CD2-CD2 4.19Å; L60-Y137 HydrophobicContact CD2-CG 3.59Å; L60-Y137 HydrophobicContact CG-CD1 4.27Å; L60-Y137 HydrophobicContact CG-CG 4.49Å; L60-M202 HydrophobicContact CD1-CB 4.31Å; L60-M202 VanDerWaalsContact CD1-O 3.31Å; L60-M202 WeakPolarHBondContact CD1-O 3.43Å; L60-M202 HydrophobicContact CD2-CB 4.44Å; L60-M202 HydrophobicContact CD2-CE 3.5Å; L60-M202 VanDerWaalsContact CD2-CE 3.5Å; L60-M202 HydrophobicContact CD2-CG 4.33Å; L60-M202 HydrophobicContact CG-CB 4.29Å; L60-M202 HydrophobicContact CG-CE 4.45Å; L60-M202 HydrophobicContact CG-CG 4.33Å; L60-Q205 HydrophobicContact CD1-CB 4.44Å; L60-Q205 PolarHBondContact O-NE2 2.94Å; L60-F206 HydrophobicContact CD1-CB 3.74Å
61	Y	93.6	Very high	78.4	Confident	84 Å²	84	79.6 Å²	79.6	33%	0.329	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.5	160.6	78.7	-87.9	0	0	0	108.6	K63 W128 R129 I131 D134	Y61-K63 HydrophobicContact CE2-CB 4.49Å; Y61-K63 HydrophobicContact CE2-CD 4.31Å; Y61-K63 HydrophobicContact CE2-CG 4.48Å; Y61-W128 WeakPolarHBondContact O-CA 3.31Å; Y61-R129 HydrophobicContact CD1-CB 4.22Å; Y61-R129 HydrophobicContact CE1-CB 3.61Å; Y61-R129 PolarHBondContact N-O 3.09Å; Y61-R129 PolarHBondContact O-N 3.42Å; Y61-I131 HydrophobicContact CD1-CG1 3.81Å; Y61-I131 HydrophobicContact CG-CG1 4.35Å; Y61-D134 PolarHBondContact OH-OD1 3.01Å
62	S	93.5	Very high	80.4	Confident	57 Å²	57	77 Å²	77	40%	0.399	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.1	177.8	54.3	0	0	0	0	111.2	V127	S62-V127 VanDerWaalsContact CA-O 3.25Å; S62-V127 WeakPolarHBondContact CA-O 3.45Å
63	K	94.5	Very high	82.6	Confident	70 Å²	70	70.3 Å²	70.3	30%	0.304	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.2	171.8	67.1	177.5	-171.6	-174.4	0	110	Y61 D69 Y126 V127	Y61-K63 HydrophobicContact CE2-CB 4.49Å; Y61-K63 HydrophobicContact CE2-CD 4.31Å; Y61-K63 HydrophobicContact CE2-CG 4.48Å; K63-D69 WeakPolarHBondContact CE-OD1 3.37Å; K63-D69 IonicContact NZ-OD1 3.33Å; K63-D69 PolarHBondContact NZ-OD1 3.09Å; K63-Y126 WeakPolarHBondContact O-CA 3.26Å; K63-V127 HydrophobicContact CD-CG2 4.15Å; K63-V127 HydrophobicContact CG-CG2 3.44Å; K63-V127 VanDerWaalsContact CG-CG2 3.44Å; K63-V127 PolarHBondContact N-O 2.88Å; K63-V127 PolarHBondContact O-N 3.39Å
64	E	95.1	Very high	84.9	Confident	93 Å²	93	66 Å²	66	44%	0.435	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	140.7	172.1	-66.8	179	-152.1	0	0	110.3	A66 K124 Y126	E64-A66 PolarHBondContact O-N 2.77Å; E64-K124 VanDerWaalsContact CD-CD 3.47Å; E64-K124 VanDerWaalsContact CD-NZ 3.28Å; E64-K124 HydrophobicContact CG-CD 4.06Å; E64-K124 WeakPolarHBondContact OE1-CD 3.25Å; E64-K124 WeakPolarHBondContact OE1-CE 3.45Å; E64-K124 IonicContact OE1-NZ 3.38Å; E64-K124 PolarHBondContact OE1-NZ 3.11Å; E64-K124 WeakPolarHBondContact OE2-CE 3.2Å; E64-K124 IonicContact OE2-NZ 3.44Å; E64-K124 PolarHBondContact OE2-NZ 3.31Å; E64-Y126 HydrophobicContact CG-CE1 4Å
65	L	95.6	Very high	87	Confident	13 Å²	13	66 Å²	66	7%	0.068	37%	0.371	C	S	.	.			trans	-60	128.6	175.6	-175.7	75.8	0	0	0	109.9	D69 F112 A115 I116 S125 V127 V139 L141	L65-D69 HydrophobicContact CD1-CB 4.07Å; L65-F112 HydrophobicContact CD1-CE2 3.79Å; L65-F112 HydrophobicContact CD1-CZ 4.21Å; L65-F112 HydrophobicContact CD2-CE2 4.18Å; L65-F112 HydrophobicContact CD2-CZ 4.39Å; L65-F112 HydrophobicContact CG-CE2 4.23Å; L65-F112 HydrophobicContact CG-CZ 4.28Å; L65-A115 HydrophobicContact CD2-CB 4.02Å; L65-I116 HydrophobicContact CB-CD1 4.27Å; L65-I116 HydrophobicContact CD2-CD1 3.69Å; L65-I116 HydrophobicContact CD2-CG1 4.02Å; L65-I116 HydrophobicContact CG-CD1 3.68Å; L65-I116 HydrophobicContact CG-CG1 4.5Å; L65-I116 WeakPolarHBondContact O-CD1 3.09Å; L65-S125 PolarHBondContact N-O 2.99Å; L65-V127 HydrophobicContact CD1-CG1 3.46Å; L65-V127 VanDerWaalsContact CD1-CG1 3.46Å; L65-V139 HydrophobicContact CD1-CG2 4.23Å; L65-L141 HydrophobicContact CD1-CD2 4.17Å; L65-L141 HydrophobicContact CD2-CD2 3.53Å; L65-L141 HydrophobicContact CG-CD2 4.47Å
66	A	95.2	Very high	89	Confident	44 Å²	44	61.6 Å²	61.6	36%	0.364	35%	0.348	S	S	.	.			trans	-124.2	162.4	178.1	0	0	0	0	0	111.5	E64 N68 D69 F112	E64-A66 PolarHBondContact O-N 2.77Å; A66-N68 PolarHBondContact O-N 3.02Å; A66-N68 VanDerWaalsContact O-N 3.15Å; A66-D69 PolarHBondContact N-OD2 2.9Å; A66-D69 WeakPolarHBondContact O-CB 3.25Å; A66-D69 PolarHBondContact O-N 2.99Å; A66-F112 WeakPolarHBondContact O-CZ 3.35Å
67	V	95.1	Very high	91	Very high	90 Å²	90	57.3 Å²	57.3	55%	0.545	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-55.3	-35.4	-179.9	179.2	0	0	0	0	112.3	D69 L70	V67-D69 PolarHBondContact O-N 2.95Å; V67-L70 VanDerWaalsContact O-CB 3.24Å; V67-L70 WeakPolarHBondContact O-CB 3.47Å; V67-L70 PolarHBondContact O-N 2.95Å
68	N	95.7	Very high	92.4	Very high	148 Å²	148	56.2 Å²	56.2	79%	0.791	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-68.1	-16.2	179.5	-66.5	-8	0	0	0	113.6	A66 L70	A66-N68 PolarHBondContact O-N 3.02Å; A66-N68 VanDerWaalsContact O-N 3.15Å; N68-L70 PolarHBondContact O-N 2.94Å
69	D	95.9	Very high	92.9	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-78.9	-5.4	176.2	-56.2	-54	0	0	0	112.4	K63 L65 A66 V67 L71 D72 V73 V127 R129	K63-D69 WeakPolarHBondContact CE-OD1 3.37Å; K63-D69 IonicContact NZ-OD1 3.33Å; K63-D69 PolarHBondContact NZ-OD1 3.09Å; L65-D69 HydrophobicContact CD1-CB 4.07Å; A66-D69 PolarHBondContact N-OD2 2.9Å; A66-D69 WeakPolarHBondContact O-CB 3.25Å; A66-D69 PolarHBondContact O-N 2.99Å; V67-D69 PolarHBondContact O-N 2.95Å; D69-L71 PolarHBondContact O-N 3.41Å; D69-D72 PolarHBondContact O-N 2.83Å; D69-V73 HydrophobicContact CB-CG2 4.42Å; D69-V73 VanDerWaalsContact O-CG2 3.31Å; D69-V73 WeakPolarHBondContact O-CG2 3.22Å; D69-V73 PolarHBondContact O-N 3.45Å; D69-V73 VanDerWaalsContact O-N 3.13Å; D69-V127 HydrophobicContact CB-CG1 4.29Å; D69-R129 IonicContact OD1-CZ 2.77Å; D69-R129 IonicContact OD1-NE 3.69Å; D69-R129 PolarHBondContact OD1-NE 2.88Å; D69-R129 IonicContact OD1-NH2 2.7Å; D69-R129 PolarHBondContact OD1-NH2 3.45Å
70	L	95.7	Very high	92.9	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-54.2	-50.2	-174.5	175.4	61.2	0	0	0	112.9	V67 N68 D72 V73 L74 L109 F112	V67-L70 VanDerWaalsContact O-CB 3.24Å; V67-L70 WeakPolarHBondContact O-CB 3.47Å; V67-L70 PolarHBondContact O-N 2.95Å; N68-L70 PolarHBondContact O-N 2.94Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 3.4Å; L70-V73 PolarHBondContact O-N 3.46Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.42Å; L70-L74 PolarHBondContact O-N 3.15Å; L70-L109 HydrophobicContact CD1-CD2 3.91Å; L70-L109 HydrophobicContact CD2-CD2 4.32Å; L70-F112 HydrophobicContact CB-CD1 4.47Å; L70-F112 HydrophobicContact CB-CE1 3.95Å; L70-F112 HydrophobicContact CB-CE2 4.28Å; L70-F112 HydrophobicContact CB-CZ 3.84Å; L70-F112 HydrophobicContact CD1-CB 4.1Å; L70-F112 HydrophobicContact CD1-CD1 3.67Å; L70-F112 HydrophobicContact CD1-CD2 3.98Å; L70-F112 HydrophobicContact CD1-CE1 4.02Å; L70-F112 HydrophobicContact CD1-CE2 4.29Å; L70-F112 HydrophobicContact CD1-CG 3.64Å; L70-F112 HydrophobicContact CD1-CZ 4.32Å
71	L	94.4	Very high	92.7	Very high	143 Å²	143	55.1 Å²	55.1	75%	0.749	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-39.4	-175	-65.6	179.2	0	0	0	111.9	D69	D69-L71 PolarHBondContact O-N 3.41Å
72	D	92.9	Very high	92.3	Very high	70 Å²	70	52.2 Å²	52.2	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-70.9	-33	-179.7	-61.1	-18.3	0	0	0	112	D69 L70 R129 L136	D69-D72 PolarHBondContact O-N 2.83Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 3.4Å; D72-R129 IonicContact OD2-CZ 2.68Å; D72-R129 VanDerWaalsContact OD2-CZ 3.3Å; D72-R129 IonicContact OD2-NH1 2.72Å; D72-R129 PolarHBondContact OD2-NH1 2.68Å; D72-R129 IonicContact OD2-NH2 3.95Å; D72-R129 PolarHBondContact OD2-NH2 3.46Å; D72-L136 HydrophobicContact CB-CB 3.86Å; D72-L136 HydrophobicContact CB-CD2 3.72Å; D72-L136 HydrophobicContact CB-CG 4.35Å; D72-L136 VanDerWaalsContact O-CD2 3.29Å; D72-L136 WeakPolarHBondContact O-CD2 3.4Å
73	V	93.4	Very high	91.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-85.7	-28.5	-175.2	172.4	0	0	0	0	112.5	D69 L70 D75 E76 L77 F112 L136 V139 L186	D69-V73 HydrophobicContact CB-CG2 4.42Å; D69-V73 VanDerWaalsContact O-CG2 3.31Å; D69-V73 WeakPolarHBondContact O-CG2 3.22Å; D69-V73 PolarHBondContact O-N 3.45Å; D69-V73 VanDerWaalsContact O-N 3.13Å; L70-V73 PolarHBondContact O-N 3.46Å; V73-D75 PolarHBondContact O-N 2.82Å; V73-E76 PolarHBondContact O-N 2.87Å; V73-L77 HydrophobicContact CG1-CB 4.2Å; V73-L77 HydrophobicContact CG1-CD2 4.37Å; V73-L77 WeakPolarHBondContact O-CB 3.43Å; V73-L77 PolarHBondContact O-N 3.28Å; V73-F112 HydrophobicContact CB-CD2 4.23Å; V73-F112 HydrophobicContact CB-CE2 4.14Å; V73-F112 HydrophobicContact CG1-CD2 3.99Å; V73-F112 HydrophobicContact CG1-CE2 4.32Å; V73-F112 HydrophobicContact CG2-CE2 4.35Å; V73-L136 HydrophobicContact CG2-CD2 3.78Å; V73-V139 HydrophobicContact CG1-CG1 4.2Å; V73-V139 HydrophobicContact CG2-CB 4.33Å; V73-V139 HydrophobicContact CG2-CG1 4.28Å; V73-V139 HydrophobicContact CG2-CG2 4.22Å; V73-L186 HydrophobicContact CG1-CD1 4.42Å
74	L	92.9	Very high	91.3	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-40.8	-162.7	-173.2	54.5	0	0	0	114.4	L70 L77 K78 H105 A108 L109	L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.42Å; L70-L74 PolarHBondContact O-N 3.15Å; L74-L77 PolarHBondContact O-N 2.98Å; L74-K78 VanDerWaalsContact O-CB 3.28Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 PolarHBondContact O-N 2.91Å; L74-H105 WeakPolarHBondContact CD2-CE1 3.06Å; L74-A108 HydrophobicContact CD1-CB 3.79Å; L74-L109 HydrophobicContact CD1-CD2 3.68Å; L74-L109 HydrophobicContact CD1-CG 4.02Å; L74-L109 HydrophobicContact CD2-CD2 3.7Å; L74-L109 HydrophobicContact CD2-CG 4.49Å; L74-L109 HydrophobicContact CG-CD2 4.37Å
75	D	89.2	Confident	90.9	Very high	104 Å²	104	46.1 Å²	46.1	56%	0.556	25%	0.246	S	C	*	.	H	α-helix	trans	-67.4	-43.5	-179.5	-82.9	-24.7	0	0	0	111.8	V73 L77 K78 N79	V73-D75 PolarHBondContact O-N 2.82Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-K78 PolarHBondContact O-N 3.02Å; D75-N79 WeakPolarHBondContact O-CB 3.43Å; D75-N79 VanDerWaalsContact O-CG 3.29Å; D75-N79 PolarHBondContact O-N 2.85Å; D75-N79 PolarHBondContact O-ND2 3.21Å
76	E	89	Confident	90.3	Very high	28 Å²	28	46.7 Å²	46.7	13%	0.131	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-37.7	176	-76.2	-54.8	121.3	0	0	112.1	K42 V73 N79 Y80 L186 N188	K42-E76 WeakPolarHBondContact CE-OE2 3.39Å; K42-E76 IonicContact NZ-OE1 3.44Å; K42-E76 IonicContact NZ-OE2 3.77Å; K42-E76 PolarHBondContact NZ-OE2 3.06Å; V73-E76 PolarHBondContact O-N 2.87Å; E76-N79 PolarHBondContact O-N 3.46Å; E76-Y80 PolarHBondContact O-N 2.9Å; E76-L186 HydrophobicContact CB-CB 4.33Å; E76-L186 HydrophobicContact CB-CD1 4.11Å; E76-N188 HydrophobicContact CG-CB 4.48Å
77	L	91.6	Very high	89.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-39.9	176.6	-175.2	56	0	0	0	112	V73 L74 D75 N79 Y80 V81 A108 Y111 F112 L141 I184 L186	V73-L77 HydrophobicContact CG1-CB 4.2Å; V73-L77 HydrophobicContact CG1-CD2 4.37Å; V73-L77 WeakPolarHBondContact O-CB 3.43Å; V73-L77 PolarHBondContact O-N 3.28Å; L74-L77 PolarHBondContact O-N 2.98Å; D75-L77 VanDerWaalsContact C-N 3.35Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.4Å; L77-Y80 HydrophobicContact CD1-CD1 4.39Å; L77-Y80 WeakPolarHBondContact O-CB 3.44Å; L77-Y80 PolarHBondContact O-N 3.03Å; L77-V81 WeakPolarHBondContact O-CG2 3.29Å; L77-V81 PolarHBondContact O-N 3.34Å; L77-A108 HydrophobicContact CB-CB 4.24Å; L77-A108 HydrophobicContact CD2-CB 4.26Å; L77-A108 WeakPolarHBondContact CD2-O 3.22Å; L77-A108 HydrophobicContact CG-CB 3.87Å; L77-Y111 HydrophobicContact CD1-CD2 4.31Å; L77-F112 HydrophobicContact CD2-CB 4.05Å; L77-L141 HydrophobicContact CD1-CD1 3.75Å; L77-L141 HydrophobicContact CD2-CD1 3.78Å; L77-L141 HydrophobicContact CG-CD1 4.37Å; L77-I184 HydrophobicContact CD1-CD1 4.2Å; L77-I184 HydrophobicContact CD1-CG2 4.27Å; L77-L186 HydrophobicContact CB-CD1 3.87Å; L77-L186 HydrophobicContact CD1-CD1 4.12Å
78	K	90.1	Very high	89.4	Confident	82 Å²	82	44.6 Å²	44.6	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-44	171.6	172.1	-174.1	153.5	-162.7	0	111.3	L74 D75 Y80 V81 A82 A108	L74-K78 VanDerWaalsContact O-CB 3.28Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 PolarHBondContact O-N 2.91Å; D75-K78 PolarHBondContact O-N 3.02Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 3.38Å; K78-V81 PolarHBondContact O-N 3.35Å; K78-A82 VanDerWaalsContact O-CB 3.3Å; K78-A82 WeakPolarHBondContact O-CB 3.5Å; K78-A82 PolarHBondContact O-N 2.93Å; K78-A108 HydrophobicContact CB-CB 4.1Å
79	N	86.9	Confident	88.9	Confident	64 Å²	64	37.8 Å²	37.8	34%	0.342	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-34.3	176.3	-74.3	-26.6	0	0	0	112.5	D75 E76 L77 R83	D75-N79 WeakPolarHBondContact O-CB 3.43Å; D75-N79 VanDerWaalsContact O-CG 3.29Å; D75-N79 PolarHBondContact O-N 2.85Å; D75-N79 PolarHBondContact O-ND2 3.21Å; E76-N79 PolarHBondContact O-N 3.46Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.4Å; N79-R83 WeakPolarHBondContact O-CG 3.16Å; N79-R83 PolarHBondContact O-N 3.13Å; N79-R83 PolarHBondContact O-NE 2.93Å; N79-R83 VanDerWaalsContact O-NE 3.08Å
80	Y	88.3	Confident	88.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-55.6	171.9	173.5	-88	0	0	0	111.4	H40 E76 L77 K78 A82 R83 Y84 R182 I184 L186	H40-Y80 HydrophobicContact CB-CE2 3.97Å; H40-Y80 WeakPolarHBondContact CB-OH 3.18Å; E76-Y80 PolarHBondContact O-N 2.9Å; L77-Y80 HydrophobicContact CD1-CD1 4.39Å; L77-Y80 WeakPolarHBondContact O-CB 3.44Å; L77-Y80 PolarHBondContact O-N 3.03Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 3.38Å; Y80-A82 PolarHBondContact O-N 3.45Å; Y80-A82 VanDerWaalsContact O-N 3.17Å; Y80-R83 PolarHBondContact O-N 2.84Å; Y80-Y84 HydrophobicContact CD2-CD1 4.34Å; Y80-Y84 AromaticContact CD2-CD2 3.59Å; Y80-Y84 HydrophobicContact CD2-CD2 3.59Å; Y80-Y84 AromaticContact CD2-CE2 3.92Å; Y80-Y84 HydrophobicContact CD2-CE2 3.92Å; Y80-Y84 AromaticContact CD2-CG 3.83Å; Y80-Y84 HydrophobicContact CD2-CG 3.83Å; Y80-Y84 AromaticContact CE2-CD1 3.83Å; Y80-Y84 HydrophobicContact CE2-CD1 3.83Å; Y80-Y84 AromaticContact CE2-CD2 3.9Å; Y80-Y84 HydrophobicContact CE2-CD2 3.9Å; Y80-Y84 HydrophobicContact CE2-CE1 4.21Å; Y80-Y84 HydrophobicContact CE2-CE2 4.33Å; Y80-Y84 AromaticContact CE2-CG 3.64Å; Y80-Y84 HydrophobicContact CE2-CG 3.64Å; Y80-Y84 HydrophobicContact CG-CD2 4.11Å; Y80-Y84 HydrophobicContact CG-CG 4.44Å; Y80-Y84 WeakPolarHBondContact O-CB 3.47Å; Y80-Y84 VanDerWaalsContact O-CD2 3.26Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.46Å; Y80-Y84 PolarHBondContact O-N 2.9Å; Y80-R182 PolarHBondContact OH-NE 3.4Å; Y80-R182 PolarHBondContact OH-NH2 3.11Å; Y80-I184 HydrophobicContact CD1-CD1 4.09Å; Y80-I184 HydrophobicContact CD1-CG2 3.81Å; Y80-I184 HydrophobicContact CD2-CG2 3.83Å; Y80-I184 HydrophobicContact CE1-CB 4.4Å; Y80-I184 HydrophobicContact CE1-CD1 3.58Å; Y80-I184 HydrophobicContact CE1-CG1 3.79Å; Y80-I184 HydrophobicContact CE1-CG2 3.8Å; Y80-I184 HydrophobicContact CE2-CG2 3.78Å; Y80-I184 HydrophobicContact CG-CG2 3.83Å; Y80-L186 VanDerWaalsContact CB-CD2 3.49Å; Y80-L186 HydrophobicContact CD2-CD2 3.78Å; Y80-L186 HydrophobicContact CG-CD2 3.81Å
81	V	88.8	Confident	87.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-52	-45.3	179.8	164.6	0	0	0	0	110.9	L77 K78 R83 H86 L107 A108 Y111	L77-V81 WeakPolarHBondContact O-CG2 3.29Å; L77-V81 PolarHBondContact O-N 3.34Å; K78-V81 PolarHBondContact O-N 3.35Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 3.21Å; V81-H86 WeakPolarHBondContact O-CB 3.27Å; V81-H86 PolarHBondContact O-N 3.04Å; V81-L107 HydrophobicContact CG1-CB 3.92Å; V81-L107 HydrophobicContact CG1-CD2 3.3Å; V81-L107 HydrophobicContact CG1-CG 3.61Å; V81-L107 HydrophobicContact CG2-CG 4.23Å; V81-A108 HydrophobicContact CG2-CB 4.39Å; V81-Y111 HydrophobicContact CG2-CD2 3.76Å; V81-Y111 HydrophobicContact CG2-CE2 3.84Å
82	A	85.2	Confident	86	Confident	24 Å²	24	34.6 Å²	34.6	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-33.8	-180	0	0	0	0	0	114.5	K78 Y80 K104	K78-A82 VanDerWaalsContact O-CB 3.3Å; K78-A82 WeakPolarHBondContact O-CB 3.5Å; K78-A82 PolarHBondContact O-N 2.93Å; Y80-A82 PolarHBondContact O-N 3.45Å; Y80-A82 VanDerWaalsContact O-N 3.17Å; A82-K104 HydrophobicContact CB-CD 3.74Å
83	R	81.9	Confident	84.7	Confident	85 Å²	85	35.3 Å²	35.3	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-107.3	-10.8	-170.7	-65.1	-173.6	-65.4	168.5	7.6	113.8	D44 N79 Y80 V81 Q87 W261	D44-R83 IonicContact OD1-NH1 2.63Å; D44-R83 IonicContact OD2-CZ 3.3Å; D44-R83 IonicContact OD2-NH1 3.3Å; D44-R83 PolarHBondContact OD2-NH1 2.92Å; D44-R83 IonicContact OD2-NH2 2.92Å; D44-R83 PolarHBondContact OD2-NH2 3.33Å; N79-R83 WeakPolarHBondContact O-CG 3.16Å; N79-R83 PolarHBondContact O-N 3.13Å; N79-R83 PolarHBondContact O-NE 2.93Å; N79-R83 VanDerWaalsContact O-NE 3.08Å; Y80-R83 PolarHBondContact O-N 2.84Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 3.21Å; R83-Q87 PolarHBondContact O-OE1 3.48Å; R83-W261 PolarHBondContact O-NE1 3.41Å
84	Y	85.4	Confident	82.9	Confident	6 Å²	6	41.7 Å²	41.7	2%	0.024	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-88.1	-176.8	-67.3	-105.6	0	0	0	109.1	H40 A41 K42 Y80 H86 Q87 I88 W261	H40-Y84 HydrophobicContact CB-CD1 4.38Å; H40-Y84 HydrophobicContact CB-CE1 4.49Å; H40-Y84 AromaticContact CG-CD1 3.98Å; H40-Y84 AromaticContact ND1-CD1 3.35Å; H40-Y84 WeakPolarHBondContact ND1-CD1 3.07Å; H40-Y84 AromaticContact ND1-CE1 3.41Å; H40-Y84 WeakPolarHBondContact ND1-CE1 3.23Å; A41-Y84 PolarHBondContact O-OH 2.98Å; K42-Y84 WeakPolarHBondContact CA-OH 3.44Å; K42-Y84 HydrophobicContact CB-CE2 4.34Å; Y80-Y84 HydrophobicContact CD2-CD1 4.34Å; Y80-Y84 AromaticContact CD2-CD2 3.59Å; Y80-Y84 HydrophobicContact CD2-CD2 3.59Å; Y80-Y84 AromaticContact CD2-CE2 3.92Å; Y80-Y84 HydrophobicContact CD2-CE2 3.92Å; Y80-Y84 AromaticContact CD2-CG 3.83Å; Y80-Y84 HydrophobicContact CD2-CG 3.83Å; Y80-Y84 AromaticContact CE2-CD1 3.83Å; Y80-Y84 HydrophobicContact CE2-CD1 3.83Å; Y80-Y84 AromaticContact CE2-CD2 3.9Å; Y80-Y84 HydrophobicContact CE2-CD2 3.9Å; Y80-Y84 HydrophobicContact CE2-CE1 4.21Å; Y80-Y84 HydrophobicContact CE2-CE2 4.33Å; Y80-Y84 AromaticContact CE2-CG 3.64Å; Y80-Y84 HydrophobicContact CE2-CG 3.64Å; Y80-Y84 HydrophobicContact CG-CD2 4.11Å; Y80-Y84 HydrophobicContact CG-CG 4.44Å; Y80-Y84 WeakPolarHBondContact O-CB 3.47Å; Y80-Y84 VanDerWaalsContact O-CD2 3.26Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.46Å; Y80-Y84 PolarHBondContact O-N 2.9Å; Y84-H86 PolarHBondContact O-N 3.34Å; Y84-Q87 PolarHBondContact O-N 2.99Å; Y84-I88 VanDerWaalsContact O-CG2 3.26Å; Y84-I88 WeakPolarHBondContact O-CG2 3.4Å; Y84-I88 PolarHBondContact O-N 2.65Å; Y84-W261 HydrophobicContact CD1-CZ2 4.11Å
85	D	85.3	Confident	81.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-38.5	-170.5	-69.1	-20.1	0	0	0	114	I88 V89 Y111 I157 S161 R165 R182	D85-I88 VanDerWaalsContact O-CG2 3.26Å; D85-I88 WeakPolarHBondContact O-CG2 3.34Å; D85-V89 WeakPolarHBondContact O-CB 3.5Å; D85-V89 VanDerWaalsContact O-CG2 3.27Å; D85-V89 WeakPolarHBondContact O-CG2 3.33Å; D85-V89 PolarHBondContact O-N 3.33Å; D85-V89 VanDerWaalsContact O-N 3.16Å; D85-Y111 WeakPolarHBondContact OD2-CE2 3.37Å; D85-Y111 VanDerWaalsContact OD2-CZ 3.29Å; D85-Y111 PolarHBondContact OD2-OH 3.37Å; D85-I157 HydrophobicContact CB-CG2 4.21Å; D85-S161 PolarHBondContact OD1-OG 3.16Å; D85-R165 IonicContact OD1-NH1 3.61Å; D85-R182 IonicContact OD1-NH2 2.68Å; D85-R182 PolarHBondContact OD1-NH2 3.4Å
86	H	83.5	Confident	79.8	Confident	25 Å²	25	48.5 Å²	48.5	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-40.3	175.3	-172	-100.4	0	0	0	111.2	V81 Y84 C90 C100 K104	V81-H86 WeakPolarHBondContact O-CB 3.27Å; V81-H86 PolarHBondContact O-N 3.04Å; Y84-H86 PolarHBondContact O-N 3.34Å; H86-C90 WeakPolarHBondContact O-CB 3.25Å; H86-C90 PolarHBondContact O-N 3.34Å; H86-C90 PolarHBondContact O-SG 3.05Å; H86-C100 PolarHBondContact NE2-O 3.3Å; H86-C100 VanDerWaalsContact NE2-O 3.11Å; H86-K104 WeakPolarHBondContact ND1-CE 3.38Å
87	Q	84.2	Confident	78.9	Confident	90 Å²	90	48.9 Å²	48.9	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-69.6	-40.9	-179.2	-172.2	178.5	-3.5	0	0	112.3	R83 Y84 A91	R83-Q87 PolarHBondContact O-OE1 3.48Å; Y84-Q87 PolarHBondContact O-N 2.99Å; Q87-A91 WeakPolarHBondContact O-CA 2.91Å; Q87-A91 WeakPolarHBondContact O-CB 3.36Å; Q87-A91 PolarHBondContact O-N 3.36Å
88	I	86.9	Confident	77.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-46.8	176.9	-171	175.2	0	0	0	110.5	Y84 D85 S161 Q164 R165 N259 W261 F262	Y84-I88 VanDerWaalsContact O-CG2 3.26Å; Y84-I88 WeakPolarHBondContact O-CG2 3.4Å; Y84-I88 PolarHBondContact O-N 2.65Å; D85-I88 VanDerWaalsContact O-CG2 3.26Å; D85-I88 WeakPolarHBondContact O-CG2 3.34Å; I88-S161 WeakPolarHBondContact CG2-OG 3.39Å; I88-Q164 HydrophobicContact CD1-CB 4.11Å; I88-Q164 HydrophobicContact CG1-CB 4.35Å; I88-Q164 VanDerWaalsContact CG1-OE1 3.24Å; I88-Q164 PolarHBondContact O-OE1 2.86Å; I88-R165 HydrophobicContact CD1-CG 3.97Å; I88-N259 PolarHBondContact O-ND2 2.87Å; I88-W261 HydrophobicContact CB-CB 4.21Å; I88-W261 HydrophobicContact CB-CD2 3.92Å; I88-W261 HydrophobicContact CB-CE3 4.4Å; I88-W261 HydrophobicContact CB-CG 3.85Å; I88-W261 HydrophobicContact CD1-CD2 4.16Å; I88-W261 HydrophobicContact CD1-CE3 3.78Å; I88-W261 HydrophobicContact CD1-CH2 4.17Å; I88-W261 HydrophobicContact CD1-CZ3 3.82Å; I88-W261 HydrophobicContact CG1-CB 4.39Å; I88-W261 HydrophobicContact CG1-CD2 4.12Å; I88-W261 HydrophobicContact CG1-CE3 4.1Å; I88-W261 HydrophobicContact CG1-CG 4.29Å; I88-F262 HydrophobicContact CD1-CE2 4.45Å; I88-F262 HydrophobicContact CD1-CZ 4.08Å
89	V	84.8	Confident	77	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-47.9	178.5	169.8	0	0	0	0	110.8	D85 M93 M99 I157 A160	D85-V89 WeakPolarHBondContact O-CB 3.5Å; D85-V89 VanDerWaalsContact O-CG2 3.27Å; D85-V89 WeakPolarHBondContact O-CG2 3.33Å; D85-V89 PolarHBondContact O-N 3.33Å; D85-V89 VanDerWaalsContact O-N 3.16Å; V89-M93 HydrophobicContact CG1-CE 4.09Å; V89-M93 WeakPolarHBondContact O-CE 3.34Å; V89-M99 HydrophobicContact CG1-CE 3.62Å; V89-M99 HydrophobicContact CG1-CG 4.43Å; V89-M99 HydrophobicContact CG1-SD 3.81Å; V89-M99 HydrophobicContact CG2-CE 4.46Å; V89-I157 HydrophobicContact CG2-CG2 4.22Å; V89-A160 HydrophobicContact CG2-CB 3.92Å
90	C	82.2	Confident	76.5	Confident	20 Å²	20	50.1 Å²	50.1	14%	0.135	28%	0.277	C	S	.	.	H	α-helix	trans	-89.8	3.8	-174.3	-58.2	0	0	0	0	114.5	H86 G92 M93 C100	H86-C90 WeakPolarHBondContact O-CB 3.25Å; H86-C90 PolarHBondContact O-N 3.34Å; H86-C90 PolarHBondContact O-SG 3.05Å; C90-G92 PolarHBondContact O-N 3.42Å; C90-M93 PolarHBondContact O-N 3.17Å; C90-C100 VanDerWaalsContact CA-SG 3.56Å; C90-C100 HydrophobicContact CB-CB 4.04Å; C90-C100 WeakPolarHBondContact CB-SG 3.37Å; C90-C100 WeakPolarHBondContact SG-CA 3.3Å; C90-C100 WeakPolarHBondContact SG-CB 3.41Å; C90-C100 CovalentContact SG-SG 2.04Å; C90-C100 PolarHBondContact SG-SG 2.83Å
91	A	77.5	Confident	75.8	Confident	23 Å²	23	56 Å²	56	19%	0.19	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	120.9	177.4	0	0	0	0	0	110.4	Q87 M93 N259	Q87-A91 WeakPolarHBondContact O-CA 2.91Å; Q87-A91 WeakPolarHBondContact O-CB 3.36Å; Q87-A91 PolarHBondContact O-N 3.36Å; A91-M93 PolarHBondContact O-N 3.15Å; A91-N259 WeakPolarHBondContact CB-OD1 3.11Å
92	G	67.1	Low	75.1	Confident	83 Å²	83	56.8 Å²	56.8	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-6.5	177.1	0	0	0	0	0	115	C90 E94	C90-G92 PolarHBondContact O-N 3.42Å; G92-E94 PolarHBondContact O-N 2.97Å
93	M	64.1	Low	74.9	Confident	86 Å²	86	59.3 Å²	59.3	42%	0.424	32%	0.32	S	S	.	.			trans	-80.2	113	166.2	-67.3	-157.6	-89.6	0	0	108.5	V89 C90 A91	V89-M93 HydrophobicContact CG1-CE 4.09Å; V89-M93 WeakPolarHBondContact O-CE 3.34Å; C90-M93 PolarHBondContact O-N 3.17Å; A91-M93 PolarHBondContact O-N 3.15Å
94	E	55.7	Low	75.1	Confident	134 Å²	134	59.1 Å²	59.1	63%	0.626	32%	0.322	S	S	*	.			trans	-50.5	137.7	159.3	-74	-173.1	162.4	0	0	107.8	G92 K96	G92-E94 PolarHBondContact O-N 2.97Å; E94-K96 VanDerWaalsContact C-N 3.31Å; E94-K96 PolarHBondContact O-N 2.7Å; E94-K96 WeakPolarHBondContact OE2-CE 3.07Å; E94-K96 IonicContact OE2-NZ 3.9Å; E94-K96 PolarHBondContact OE2-NZ 3.43Å
95	P	57.7	Low	75.2	Confident	112 Å²	112	62.7 Å²	62.7	73%	0.727	34%	0.338	S	S	*	.	S	Bend	trans	-62.4	91	-174	24.7	-32.9	0	0	0	110.7
96	K	60.4	Low	75.3	Confident	152 Å²	152	67.7 Å²	67.7	66%	0.661	36%	0.362	S	S	*	.			trans	-132.6	-26.4	178	-69.1	-179	-173.9	156.6	0	112.7	E94	E94-K96 VanDerWaalsContact C-N 3.31Å; E94-K96 PolarHBondContact O-N 2.7Å; E94-K96 WeakPolarHBondContact OE2-CE 3.07Å; E94-K96 IonicContact OE2-NZ 3.9Å; E94-K96 PolarHBondContact OE2-NZ 3.43Å
97	S	68.5	Low	75.6	Confident	36 Å²	36	66.6 Å²	66.6	25%	0.252	36%	0.356	S	S	.	.			trans	-80.2	136	177.2	66.1	0	0	0	0	111.2	M99 C100 K101	S97-M99 PolarHBondContact O-N 2.91Å; S97-C100 PolarHBondContact O-N 2.97Å; S97-C100 WeakPolarHBondContact OG-CB 3.37Å; S97-C100 PolarHBondContact OG-N 2.74Å; S97-C100 PolarHBondContact OG-SG 2.97Å; S97-K101 PolarHBondContact O-N 3.4Å
98	E	71.4	Confident	75.9	Confident	114 Å²	114	62.3 Å²	62.3	53%	0.533	34%	0.336	S	S	.	.	H	α-helix	trans	-56.2	-37.6	173	-70.7	-56.4	134.7	0	0	111.2	C100 K101 I102	E98-C100 PolarHBondContact O-N 3.28Å; E98-C100 VanDerWaalsContact O-N 3.15Å; E98-K101 WeakPolarHBondContact O-CA 3.42Å; E98-K101 WeakPolarHBondContact O-CB 3.37Å; E98-K101 PolarHBondContact O-N 2.75Å; E98-K101 IonicContact OE1-NZ 3.57Å; E98-K101 PolarHBondContact OE1-NZ 2.88Å; E98-I102 PolarHBondContact O-N 2.79Å
99	M	71.3	Confident	76.2	Confident	39 Å²	39	64.5 Å²	64.5	19%	0.192	35%	0.348	C	S	.	.	H	α-helix	trans	-50.9	-38	171.2	-170.9	-174.6	-169	0	0	113	V89 S97 I102 Q156 I157 A160	V89-M99 HydrophobicContact CG1-CE 3.62Å; V89-M99 HydrophobicContact CG1-CG 4.43Å; V89-M99 HydrophobicContact CG1-SD 3.81Å; V89-M99 HydrophobicContact CG2-CE 4.46Å; S97-M99 PolarHBondContact O-N 2.91Å; M99-I102 WeakPolarHBondContact O-CD1 3.38Å; M99-I102 WeakPolarHBondContact O-CG1 3.36Å; M99-Q156 VanDerWaalsContact CE-C 3.5Å; M99-Q156 HydrophobicContact CE-CB 4.29Å; M99-Q156 WeakPolarHBondContact CE-O 3.23Å; M99-I157 HydrophobicContact CE-CB 4.07Å; M99-I157 HydrophobicContact CE-CG1 3.5Å; M99-I157 VanDerWaalsContact CE-CG1 3.5Å; M99-I157 HydrophobicContact CG-CD1 4.16Å; M99-I157 HydrophobicContact CG-CG1 3.63Å; M99-I157 HydrophobicContact SD-CG1 4.42Å; M99-A160 HydrophobicContact CE-CB 3.66Å
100	C	76.5	Confident	76.4	Confident	18 Å²	18	68 Å²	68	12%	0.122	36%	0.363	C	S	.	.	H	α-helix	trans	-84.4	-10.9	178	-72.8	0	0	0	0	114.2	H86 C90 S97 E98	H86-C100 PolarHBondContact NE2-O 3.3Å; H86-C100 VanDerWaalsContact NE2-O 3.11Å; C90-C100 VanDerWaalsContact CA-SG 3.56Å; C90-C100 HydrophobicContact CB-CB 4.04Å; C90-C100 WeakPolarHBondContact CB-SG 3.37Å; C90-C100 WeakPolarHBondContact SG-CA 3.3Å; C90-C100 WeakPolarHBondContact SG-CB 3.41Å; C90-C100 CovalentContact SG-SG 2.04Å; C90-C100 PolarHBondContact SG-SG 2.83Å; S97-C100 PolarHBondContact O-N 2.97Å; S97-C100 WeakPolarHBondContact OG-CB 3.37Å; S97-C100 PolarHBondContact OG-N 2.74Å; S97-C100 PolarHBondContact OG-SG 2.97Å; E98-C100 PolarHBondContact O-N 3.28Å; E98-C100 VanDerWaalsContact O-N 3.15Å
101	K	73.7	Confident	76.9	Confident	123 Å²	123	67.3 Å²	67.3	54%	0.535	36%	0.357	S	S	.	.	H	α-helix	trans	-86.2	-7.5	172.2	-63.1	-179.7	-172.3	166.8	0	113.5	S97 E98	S97-K101 PolarHBondContact O-N 3.4Å; E98-K101 WeakPolarHBondContact O-CA 3.42Å; E98-K101 WeakPolarHBondContact O-CB 3.37Å; E98-K101 PolarHBondContact O-N 2.75Å; E98-K101 IonicContact OE1-NZ 3.57Å; E98-K101 PolarHBondContact OE1-NZ 2.88Å
102	I	73.3	Confident	77.6	Confident	18 Å²	18	66.6 Å²	66.6	9%	0.092	35%	0.35	C	S	.	.	S	Bend	trans	-52.7	139.2	-177.8	-71.5	173.7	0	0	0	112.3	E98 M99 K104 L107 E153 I157	E98-I102 PolarHBondContact O-N 2.79Å; M99-I102 WeakPolarHBondContact O-CD1 3.38Å; M99-I102 WeakPolarHBondContact O-CG1 3.36Å; I102-K104 PolarHBondContact O-N 3.18Å; I102-K104 VanDerWaalsContact O-N 3.15Å; I102-L107 HydrophobicContact CG2-CB 4.33Å; I102-E153 HydrophobicContact CD1-CB 3.66Å; I102-I157 HydrophobicContact CB-CD1 4.24Å; I102-I157 HydrophobicContact CD1-CD1 3.52Å; I102-I157 HydrophobicContact CD1-CG1 4.28Å; I102-I157 HydrophobicContact CG1-CD1 4.4Å; I102-I157 HydrophobicContact CG2-CD1 4.35Å
103	V	81.3	Confident	78.8	Confident	77 Å²	77	66.8 Å²	66.8	47%	0.467	33%	0.329	S	S	.	.			trans	-69.8	110.2	176.1	-176.1	0	0	0	0	109.5	H105 Q106 L107	V103-H105 HydrophobicContact CG1-CB 4.05Å; V103-H105 PolarHBondContact O-N 2.95Å; V103-Q106 HydrophobicContact CB-CB 4.25Å; V103-Q106 HydrophobicContact CB-CG 3.95Å; V103-Q106 HydrophobicContact CG1-CG 4.15Å; V103-Q106 WeakPolarHBondContact O-CB 3.05Å; V103-Q106 PolarHBondContact O-N 3.39Å; V103-L107 PolarHBondContact O-N 3.45Å; V103-L107 VanDerWaalsContact O-N 3.13Å
104	K	86	Confident	80.1	Confident	81 Å²	81	64.3 Å²	64.3	35%	0.352	32%	0.322	S	S	.	.	H	α-helix	trans	-51.2	-33.8	179.7	-66.6	172.5	174.7	-176.1	0	113.9	A82 H86 I102 L107 A108	A82-K104 HydrophobicContact CB-CD 3.74Å; H86-K104 WeakPolarHBondContact ND1-CE 3.38Å; I102-K104 PolarHBondContact O-N 3.18Å; I102-K104 VanDerWaalsContact O-N 3.15Å; K104-L107 PolarHBondContact O-N 2.84Å; K104-A108 PolarHBondContact O-N 2.89Å
105	H	87.9	Confident	81.8	Confident	81 Å²	81	58 Å²	58	38%	0.375	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-44.7	175.7	177.5	84.2	0	0	0	112.4	L74 V103 L107 A108 L109	L74-H105 WeakPolarHBondContact CD2-CE1 3.06Å; V103-H105 HydrophobicContact CG1-CB 4.05Å; V103-H105 PolarHBondContact O-N 2.95Å; H105-L107 VanDerWaalsContact C-N 3.31Å; H105-L107 PolarHBondContact O-N 2.92Å; H105-A108 PolarHBondContact O-N 3.15Å; H105-L109 PolarHBondContact O-N 3.43Å
106	Q	88.4	Confident	83.5	Confident	105 Å²	105	53.2 Å²	53.2	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175.5	-66.7	176.3	-27.5	0	0	109.8	V103 A108 L109 K110 M154	V103-Q106 HydrophobicContact CB-CB 4.25Å; V103-Q106 HydrophobicContact CB-CG 3.95Å; V103-Q106 HydrophobicContact CG1-CG 4.15Å; V103-Q106 WeakPolarHBondContact O-CB 3.05Å; V103-Q106 PolarHBondContact O-N 3.39Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; Q106-A108 PolarHBondContact O-N 2.89Å; Q106-L109 WeakPolarHBondContact O-CB 3.38Å; Q106-L109 PolarHBondContact O-N 3.41Å; Q106-L109 VanDerWaalsContact O-N 3.1Å; Q106-K110 PolarHBondContact O-N 2.91Å; Q106-M154 HydrophobicContact CB-CE 3.58Å; Q106-M154 WeakPolarHBondContact O-CE 3.44Å
107	L	88.3	Confident	84.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-41	178.2	-175.8	56.8	0	0	0	112.4	V81 I102 V103 K104 H105 K110 Y111 M154 I157	V81-L107 HydrophobicContact CG1-CB 3.92Å; V81-L107 HydrophobicContact CG1-CD2 3.3Å; V81-L107 HydrophobicContact CG1-CG 3.61Å; V81-L107 HydrophobicContact CG2-CG 4.23Å; I102-L107 HydrophobicContact CG2-CB 4.33Å; V103-L107 PolarHBondContact O-N 3.45Å; V103-L107 VanDerWaalsContact O-N 3.13Å; K104-L107 PolarHBondContact O-N 2.84Å; H105-L107 VanDerWaalsContact C-N 3.31Å; H105-L107 PolarHBondContact O-N 2.92Å; L107-K110 PolarHBondContact O-N 2.93Å; L107-Y111 HydrophobicContact CD1-CD1 3.95Å; L107-Y111 HydrophobicContact CD1-CE1 3.48Å; L107-Y111 VanDerWaalsContact CD1-CE1 3.48Å; L107-Y111 HydrophobicContact CG-CE1 4.18Å; L107-Y111 WeakPolarHBondContact O-CD1 3.16Å; L107-Y111 PolarHBondContact O-N 3.12Å; L107-M154 HydrophobicContact CB-CE 4.28Å; L107-M154 HydrophobicContact CD1-CB 3.81Å; L107-M154 HydrophobicContact CD1-CG 4.41Å; L107-I157 HydrophobicContact CD2-CB 4.34Å; L107-I157 HydrophobicContact CD2-CD1 3.73Å; L107-I157 HydrophobicContact CD2-CG2 3.82Å
108	A	91.5	Very high	85.7	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-45.3	172.9	0	0	0	0	0	112.7	L74 L77 K78 V81 K104 H105 Q106 K110 Y111 F112	L74-A108 HydrophobicContact CD1-CB 3.79Å; L77-A108 HydrophobicContact CB-CB 4.24Å; L77-A108 HydrophobicContact CD2-CB 4.26Å; L77-A108 WeakPolarHBondContact CD2-O 3.22Å; L77-A108 HydrophobicContact CG-CB 3.87Å; K78-A108 HydrophobicContact CB-CB 4.1Å; V81-A108 HydrophobicContact CG2-CB 4.39Å; K104-A108 PolarHBondContact O-N 2.89Å; H105-A108 PolarHBondContact O-N 3.15Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; Q106-A108 PolarHBondContact O-N 2.89Å; A108-K110 VanDerWaalsContact C-N 3.29Å; A108-K110 PolarHBondContact O-N 3.1Å; A108-Y111 PolarHBondContact O-N 3.49Å; A108-F112 PolarHBondContact O-N 3.28Å
109	L	92.5	Very high	86.3	Confident	47 Å²	47	44.5 Å²	44.5	25%	0.246	22%	0.224	C	C	.	.	H	α-helix	trans	-56.3	-44.2	176.4	-70.8	173.5	0	0	0	111.9	L70 L74 H105 Q106 F112 E113	L70-L109 HydrophobicContact CD1-CD2 3.91Å; L70-L109 HydrophobicContact CD2-CD2 4.32Å; L74-L109 HydrophobicContact CD1-CD2 3.68Å; L74-L109 HydrophobicContact CD1-CG 4.02Å; L74-L109 HydrophobicContact CD2-CD2 3.7Å; L74-L109 HydrophobicContact CD2-CG 4.49Å; L74-L109 HydrophobicContact CG-CD2 4.37Å; H105-L109 PolarHBondContact O-N 3.43Å; Q106-L109 WeakPolarHBondContact O-CB 3.38Å; Q106-L109 PolarHBondContact O-N 3.41Å; Q106-L109 VanDerWaalsContact O-N 3.1Å; L109-F112 WeakPolarHBondContact O-CB 3.29Å; L109-F112 PolarHBondContact O-N 2.88Å; L109-E113 WeakPolarHBondContact O-CG 3.49Å; L109-E113 PolarHBondContact O-N 3.24Å
110	K	90.1	Very high	86.6	Confident	78 Å²	78	51 Å²	51	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-73	-31.2	-178.4	-74.5	-120.8	178.5	-91.4	0	114	Q106 L107 A108 F112 E113 A114 M154	Q106-K110 PolarHBondContact O-N 2.91Å; L107-K110 PolarHBondContact O-N 2.93Å; A108-K110 VanDerWaalsContact C-N 3.29Å; A108-K110 PolarHBondContact O-N 3.1Å; K110-F112 VanDerWaalsContact C-N 3.32Å; K110-E113 IonicContact NZ-OE1 3.44Å; K110-E113 IonicContact NZ-OE2 3.57Å; K110-E113 PolarHBondContact NZ-OE2 2.97Å; K110-E113 PolarHBondContact O-N 3.1Å; K110-A114 VanDerWaalsContact O-CB 3.25Å; K110-A114 WeakPolarHBondContact O-CB 3.31Å; K110-A114 PolarHBondContact O-N 2.92Å; K110-M154 HydrophobicContact CB-CE 3.73Å; K110-M154 HydrophobicContact CB-SD 3.99Å; K110-M154 HydrophobicContact CD-CE 4.19Å; K110-M154 HydrophobicContact CD-SD 3.5Å; K110-M154 WeakPolarHBondContact CD-SD 3.43Å; K110-M154 HydrophobicContact CG-CE 3.46Å; K110-M154 VanDerWaalsContact CG-CE 3.46Å; K110-M154 HydrophobicContact CG-SD 3.46Å; K110-M154 WeakPolarHBondContact CG-SD 3.42Å
111	Y	91.4	Very high	86.5	Confident	6 Å²	6	54.9 Å²	54.9	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-42.2	168.2	-79.5	16.2	0	0	0	111	L77 V81 D85 L107 A108 A114 A115 L143 L158 I184	L77-Y111 HydrophobicContact CD1-CD2 4.31Å; V81-Y111 HydrophobicContact CG2-CD2 3.76Å; V81-Y111 HydrophobicContact CG2-CE2 3.84Å; D85-Y111 WeakPolarHBondContact OD2-CE2 3.37Å; D85-Y111 VanDerWaalsContact OD2-CZ 3.29Å; D85-Y111 PolarHBondContact OD2-OH 3.37Å; L107-Y111 HydrophobicContact CD1-CD1 3.95Å; L107-Y111 HydrophobicContact CD1-CE1 3.48Å; L107-Y111 VanDerWaalsContact CD1-CE1 3.48Å; L107-Y111 HydrophobicContact CG-CE1 4.18Å; L107-Y111 WeakPolarHBondContact O-CD1 3.16Å; L107-Y111 PolarHBondContact O-N 3.12Å; A108-Y111 PolarHBondContact O-N 3.49Å; Y111-A114 PolarHBondContact O-N 3.36Å; Y111-A115 WeakPolarHBondContact O-CB 3.19Å; Y111-A115 PolarHBondContact O-N 3.5Å; Y111-L143 HydrophobicContact CD2-CD1 4.19Å; Y111-L143 HydrophobicContact CG-CD1 4.16Å; Y111-L143 WeakPolarHBondContact O-CD2 3.37Å; Y111-L158 HydrophobicContact CE1-CB 4.08Å; Y111-L158 HydrophobicContact CE1-CD1 4.45Å; Y111-I184 HydrophobicContact CD2-CD1 3.62Å; Y111-I184 HydrophobicContact CE2-CD1 4.02Å
112	F	93.7	Very high	86.7	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-48.4	174.9	-173.7	-82.7	0	0	0	111.9	L65 A66 L70 V73 L77 A108 L109 K110 A114 A115 I116	L65-F112 HydrophobicContact CD1-CE2 3.79Å; L65-F112 HydrophobicContact CD1-CZ 4.21Å; L65-F112 HydrophobicContact CD2-CE2 4.18Å; L65-F112 HydrophobicContact CD2-CZ 4.39Å; L65-F112 HydrophobicContact CG-CE2 4.23Å; L65-F112 HydrophobicContact CG-CZ 4.28Å; A66-F112 WeakPolarHBondContact O-CZ 3.35Å; L70-F112 HydrophobicContact CB-CD1 4.47Å; L70-F112 HydrophobicContact CB-CE1 3.95Å; L70-F112 HydrophobicContact CB-CE2 4.28Å; L70-F112 HydrophobicContact CB-CZ 3.84Å; L70-F112 HydrophobicContact CD1-CB 4.1Å; L70-F112 HydrophobicContact CD1-CD1 3.67Å; L70-F112 HydrophobicContact CD1-CD2 3.98Å; L70-F112 HydrophobicContact CD1-CE1 4.02Å; L70-F112 HydrophobicContact CD1-CE2 4.29Å; L70-F112 HydrophobicContact CD1-CG 3.64Å; L70-F112 HydrophobicContact CD1-CZ 4.32Å; V73-F112 HydrophobicContact CB-CD2 4.23Å; V73-F112 HydrophobicContact CB-CE2 4.14Å; V73-F112 HydrophobicContact CG1-CD2 3.99Å; V73-F112 HydrophobicContact CG1-CE2 4.32Å; V73-F112 HydrophobicContact CG2-CE2 4.35Å; L77-F112 HydrophobicContact CD2-CB 4.05Å; A108-F112 PolarHBondContact O-N 3.28Å; L109-F112 WeakPolarHBondContact O-CB 3.29Å; L109-F112 PolarHBondContact O-N 2.88Å; K110-F112 VanDerWaalsContact C-N 3.32Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.01Å; F112-A115 WeakPolarHBondContact O-CB 3.47Å; F112-A115 PolarHBondContact O-N 3.46Å; F112-A115 VanDerWaalsContact O-N 3.15Å; F112-I116 HydrophobicContact CD1-CG1 3.97Å; F112-I116 HydrophobicContact CE1-CD1 4.09Å; F112-I116 HydrophobicContact CE1-CG1 3.59Å; F112-I116 HydrophobicContact CZ-CD1 4.27Å; F112-I116 HydrophobicContact CZ-CG1 4.21Å; F112-I116 WeakPolarHBondContact O-CG1 3.41Å; F112-I116 PolarHBondContact O-N 3.36Å
113	E	92	Very high	87.3	Confident	88 Å²	88	53.3 Å²	53.3	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-57.8	-44.1	176.6	-71.4	171.9	178.9	0	0	112	L109 K110 A115 I116 N117	L109-E113 WeakPolarHBondContact O-CG 3.49Å; L109-E113 PolarHBondContact O-N 3.24Å; K110-E113 IonicContact NZ-OE1 3.44Å; K110-E113 IonicContact NZ-OE2 3.57Å; K110-E113 PolarHBondContact NZ-OE2 2.97Å; K110-E113 PolarHBondContact O-N 3.1Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 2.89Å; E113-I116 PolarHBondContact O-N 3.22Å; E113-N117 WeakPolarHBondContact O-CB 3.29Å; E113-N117 VanDerWaalsContact O-CG 3.23Å; E113-N117 PolarHBondContact O-N 3.48Å; E113-N117 PolarHBondContact O-ND2 3.45Å
114	A	90.2	Very high	87.7	Confident	34 Å²	34	53.5 Å²	53.5	28%	0.281	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-36.5	177.2	0	0	0	0	0	112.3	K110 Y111 F112 N117 T118 L143	K110-A114 VanDerWaalsContact O-CB 3.25Å; K110-A114 WeakPolarHBondContact O-CB 3.31Å; K110-A114 PolarHBondContact O-N 2.92Å; Y111-A114 PolarHBondContact O-N 3.36Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.01Å; A114-N117 PolarHBondContact O-N 2.97Å; A114-T118 WeakPolarHBondContact O-CB 3.39Å; A114-T118 PolarHBondContact O-N 3.39Å; A114-T118 PolarHBondContact O-OG1 2.99Å; A114-L143 HydrophobicContact CB-CD2 3.67Å
115	A	92.5	Very high	88.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-41.7	176.9	0	0	0	0	0	112.2	L65 Y111 F112 E113 S119 L141 L143	L65-A115 HydrophobicContact CD2-CB 4.02Å; Y111-A115 WeakPolarHBondContact O-CB 3.19Å; Y111-A115 PolarHBondContact O-N 3.5Å; F112-A115 WeakPolarHBondContact O-CB 3.47Å; F112-A115 PolarHBondContact O-N 3.46Å; F112-A115 VanDerWaalsContact O-N 3.15Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 2.89Å; A115-S119 PolarHBondContact O-N 3.21Å; A115-S119 VanDerWaalsContact O-N 3.09Å; A115-S119 PolarHBondContact O-OG 2.88Å; A115-L141 HydrophobicContact CB-CB 3.92Å; A115-L141 HydrophobicContact CB-CD2 3.98Å; A115-L141 HydrophobicContact CB-CG 4.4Å; A115-L143 HydrophobicContact CB-CD2 3.79Å
116	I	92.7	Very high	88.4	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-48.7	172.6	-69.9	-69.2	0	0	0	110.2	L65 F112 E113 T118 S119 Y120	L65-I116 HydrophobicContact CB-CD1 4.27Å; L65-I116 HydrophobicContact CD2-CD1 3.69Å; L65-I116 HydrophobicContact CD2-CG1 4.02Å; L65-I116 HydrophobicContact CG-CD1 3.68Å; L65-I116 HydrophobicContact CG-CG1 4.5Å; L65-I116 WeakPolarHBondContact O-CD1 3.09Å; F112-I116 HydrophobicContact CD1-CG1 3.97Å; F112-I116 HydrophobicContact CE1-CD1 4.09Å; F112-I116 HydrophobicContact CE1-CG1 3.59Å; F112-I116 HydrophobicContact CZ-CD1 4.27Å; F112-I116 HydrophobicContact CZ-CG1 4.21Å; F112-I116 WeakPolarHBondContact O-CG1 3.41Å; F112-I116 PolarHBondContact O-N 3.36Å; E113-I116 PolarHBondContact O-N 3.22Å; I116-T118 PolarHBondContact O-N 2.97Å; I116-S119 VanDerWaalsContact O-CB 3.31Å; I116-S119 WeakPolarHBondContact O-CB 3.31Å; I116-S119 PolarHBondContact O-N 3.37Å; I116-S119 VanDerWaalsContact O-N 3.09Å; I116-Y120 HydrophobicContact CG2-CD2 4.22Å; I116-Y120 HydrophobicContact CG2-CE2 3.44Å; I116-Y120 VanDerWaalsContact CG2-CE2 3.44Å; I116-Y120 WeakPolarHBondContact O-CD2 3.45Å; I116-Y120 PolarHBondContact O-N 3.12Å
117	N	89.4	Confident	88.8	Confident	92 Å²	92	43.2 Å²	43.2	49%	0.492	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-40.2	-179.7	-70.5	-25.4	0	0	0	113.1	E113 A114 S119 Y120 T121	E113-N117 WeakPolarHBondContact O-CB 3.29Å; E113-N117 VanDerWaalsContact O-CG 3.23Å; E113-N117 PolarHBondContact O-N 3.48Å; E113-N117 PolarHBondContact O-ND2 3.45Å; A114-N117 PolarHBondContact O-N 2.97Å; N117-S119 PolarHBondContact O-N 3.32Å; N117-Y120 PolarHBondContact O-N 3.11Å; N117-T121 PolarHBondContact O-N 2.66Å; N117-T121 PolarHBondContact O-OG1 3.41Å
118	T	85.8	Confident	89.1	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-35	174.9	-57.1	0	0	0	0	111.1	A114 I116 Y120 T121 G122 Y123 I142	A114-T118 WeakPolarHBondContact O-CB 3.39Å; A114-T118 PolarHBondContact O-N 3.39Å; A114-T118 PolarHBondContact O-OG1 2.99Å; I116-T118 PolarHBondContact O-N 2.97Å; T118-Y120 VanDerWaalsContact C-N 3.27Å; T118-Y120 PolarHBondContact O-N 3.31Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-OG1 3.15Å; T118-G122 PolarHBondContact O-N 3.33Å; T118-Y123 CarbonylContact C-O 3.58Å; T118-Y123 PolarHBondContact O-N 2.94Å; T118-I142 HydrophobicContact CG2-CG2 4.44Å
119	S	84	Confident	89.2	Confident	20 Å²	20	43.7 Å²	43.7	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-28.3	177.6	-55.7	0	0	0	0	112.8	A115 I116 N117 Y123 S125	A115-S119 PolarHBondContact O-N 3.21Å; A115-S119 VanDerWaalsContact O-N 3.09Å; A115-S119 PolarHBondContact O-OG 2.88Å; I116-S119 VanDerWaalsContact O-CB 3.31Å; I116-S119 WeakPolarHBondContact O-CB 3.31Å; I116-S119 PolarHBondContact O-N 3.37Å; I116-S119 VanDerWaalsContact O-N 3.09Å; N117-S119 PolarHBondContact O-N 3.32Å; S119-Y123 WeakPolarHBondContact CA-O 3.36Å; S119-S125 PolarHBondContact OG-N 3.39Å
120	Y	77.4	Confident	89.1	Confident	175 Å²	175	41.5 Å²	41.5	69%	0.686	21%	0.212	S	C	*	.	H	α-helix	trans	-77.6	-29.8	175.7	-65.9	-51.8	0	0	0	113.8	I116 N117 T118	I116-Y120 HydrophobicContact CG2-CD2 4.22Å; I116-Y120 HydrophobicContact CG2-CE2 3.44Å; I116-Y120 VanDerWaalsContact CG2-CE2 3.44Å; I116-Y120 WeakPolarHBondContact O-CD2 3.45Å; I116-Y120 PolarHBondContact O-N 3.12Å; N117-Y120 PolarHBondContact O-N 3.11Å; T118-Y120 VanDerWaalsContact C-N 3.27Å; T118-Y120 PolarHBondContact O-N 3.31Å
121	T	74.2	Confident	89.2	Confident	99 Å²	99	42.1 Å²	42.1	61%	0.607	22%	0.218	S	C	*	.	H	α-helix	trans	-100.1	-15.3	-174.3	58.5	0	0	0	0	113.6	N117 T118	N117-T121 PolarHBondContact O-N 2.66Å; N117-T121 PolarHBondContact O-OG1 3.41Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-OG1 3.15Å
122	G	79.2	Confident	88.9	Confident	48 Å²	48	47.3 Å²	47.3	50%	0.495	24%	0.242	S	C	.	.	S	Bend	trans	-172.1	-92	-179.5	0	0	0	0	0	114.2	T118	T118-G122 PolarHBondContact O-N 3.33Å
123	Y	84.9	Confident	88.8	Confident	61 Å²	61	49.8 Å²	49.8	24%	0.239	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-90.1	122.5	-167.2	-59.1	-72.6	0	0	0	111.8	T118 S119 L181 T217 A221	T118-Y123 CarbonylContact C-O 3.58Å; T118-Y123 PolarHBondContact O-N 2.94Å; S119-Y123 WeakPolarHBondContact CA-O 3.36Å; Y123-L181 HydrophobicContact CD2-CD1 3.49Å; Y123-L181 VanDerWaalsContact CD2-CD1 3.49Å; Y123-L181 HydrophobicContact CD2-CD2 3.95Å; Y123-L181 HydrophobicContact CD2-CG 4.33Å; Y123-L181 HydrophobicContact CE2-CD1 3.63Å; Y123-L181 HydrophobicContact CE2-CD2 4.36Å; Y123-L181 HydrophobicContact CE2-CG 4.46Å; Y123-L181 HydrophobicContact CG-CD1 3.94Å; Y123-T217 HydrophobicContact CD1-CG2 3.28Å; Y123-T217 HydrophobicContact CE1-CG2 3.64Å; Y123-T217 HydrophobicContact CG-CG2 3.76Å; Y123-A221 VanDerWaalsContact OH-CA 3.28Å; Y123-A221 WeakPolarHBondContact OH-CA 3.37Å; Y123-A221 VanDerWaalsContact OH-CB 3.24Å; Y123-A221 WeakPolarHBondContact OH-CB 3.23Å
124	K	90.7	Very high	88.7	Confident	81 Å²	81	49.1 Å²	49.1	35%	0.352	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-78.4	134.3	-173.2	-66.6	172.4	169.8	-166.8	0	111.7	E64 Y126 I142	E64-K124 VanDerWaalsContact CD-CD 3.47Å; E64-K124 VanDerWaalsContact CD-NZ 3.28Å; E64-K124 HydrophobicContact CG-CD 4.06Å; E64-K124 WeakPolarHBondContact OE1-CD 3.25Å; E64-K124 WeakPolarHBondContact OE1-CE 3.45Å; E64-K124 IonicContact OE1-NZ 3.38Å; E64-K124 PolarHBondContact OE1-NZ 3.11Å; E64-K124 WeakPolarHBondContact OE2-CE 3.2Å; E64-K124 IonicContact OE2-NZ 3.44Å; E64-K124 PolarHBondContact OE2-NZ 3.31Å; K124-Y126 HydrophobicContact CB-CD2 4.38Å; K124-Y126 HydrophobicContact CB-CE2 3.53Å; K124-Y126 WeakPolarHBondContact O-CD2 3Å; K124-Y126 WeakPolarHBondContact O-CE2 3.49Å; K124-I142 WeakPolarHBondContact O-CD1 3.32Å
125	S	93.6	Very high	88.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-83.4	153.5	165.2	-62.1	0	0	0	0	110.3	L65 S119 M140 I142	L65-S125 PolarHBondContact N-O 2.99Å; S119-S125 PolarHBondContact OG-N 3.39Å; S125-M140 WeakPolarHBondContact CA-O 3.42Å; S125-M140 WeakPolarHBondContact CB-O 3.39Å; S125-I142 PolarHBondContact OG-N 3.45Å
126	Y	94.8	Very high	88.8	Confident	51 Å²	51	52 Å²	52	20%	0.2	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149	-173.4	-68.3	-93.8	0	0	0	112.1	K63 E64 K124 W128 V139 M140 L213	K63-Y126 WeakPolarHBondContact O-CA 3.26Å; E64-Y126 HydrophobicContact CG-CE1 4Å; K124-Y126 HydrophobicContact CB-CD2 4.38Å; K124-Y126 HydrophobicContact CB-CE2 3.53Å; K124-Y126 WeakPolarHBondContact O-CD2 3Å; K124-Y126 WeakPolarHBondContact O-CE2 3.49Å; Y126-W128 WeakPolarHBondContact O-CZ3 3.14Å; Y126-V139 WeakPolarHBondContact O-CA 3.38Å; Y126-V139 WeakPolarHBondContact O-CG2 3.39Å; Y126-M140 PolarHBondContact N-O 3.17Å; Y126-M140 PolarHBondContact O-N 2.92Å; Y126-L213 HydrophobicContact CD1-CD1 4.28Å; Y126-L213 HydrophobicContact CD2-CD1 3.61Å; Y126-L213 HydrophobicContact CD2-CD2 3.6Å; Y126-L213 HydrophobicContact CD2-CG 4.28Å; Y126-L213 HydrophobicContact CE1-CD1 4.2Å; Y126-L213 HydrophobicContact CE2-CD1 3.51Å; Y126-L213 HydrophobicContact CE2-CD2 3.47Å; Y126-L213 VanDerWaalsContact CE2-CD2 3.47Å; Y126-L213 HydrophobicContact CE2-CG 4.11Å; Y126-L213 HydrophobicContact CG-CD1 4Å
127	V	95.1	Very high	88.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.5	168.9	-61.4	0	0	0	0	109.8	S62 K63 L65 D69 L136 V139	S62-V127 VanDerWaalsContact CA-O 3.25Å; S62-V127 WeakPolarHBondContact CA-O 3.45Å; K63-V127 HydrophobicContact CD-CG2 4.15Å; K63-V127 HydrophobicContact CG-CG2 3.44Å; K63-V127 VanDerWaalsContact CG-CG2 3.44Å; K63-V127 PolarHBondContact N-O 2.88Å; K63-V127 PolarHBondContact O-N 3.39Å; L65-V127 HydrophobicContact CD1-CG1 3.46Å; L65-V127 VanDerWaalsContact CD1-CG1 3.46Å; D69-V127 HydrophobicContact CB-CG1 4.29Å; V127-L136 HydrophobicContact CB-CD1 3.93Å; V127-L136 HydrophobicContact CG1-CD1 4.11Å; V127-V139 HydrophobicContact CG1-CB 4.18Å; V127-V139 HydrophobicContact CG1-CG2 3.89Å
128	W	94.5	Very high	88.9	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126	172.5	-73.1	-100.9	0	0	0	108.4	L60 Y61 Y126 Y137 G138 M140 F206 E209	L60-W128 HydrophobicContact CD1-CB 4.3Å; Y61-W128 WeakPolarHBondContact O-CA 3.31Å; Y126-W128 WeakPolarHBondContact O-CZ3 3.14Å; W128-Y137 WeakPolarHBondContact O-CB 3.41Å; W128-Y137 PolarHBondContact O-N 3.08Å; W128-G138 PolarHBondContact N-O 3.44Å; W128-G138 PolarHBondContact O-N 2.75Å; W128-M140 HydrophobicContact CH2-CB 3.91Å; W128-M140 HydrophobicContact CZ3-CB 3.62Å; W128-F206 HydrophobicContact CB-CD2 4.09Å; W128-F206 AromaticContact CD2-CD2 3.69Å; W128-F206 HydrophobicContact CD2-CD2 3.69Å; W128-F206 AromaticContact CD2-CE2 3.9Å; W128-F206 HydrophobicContact CD2-CE2 3.9Å; W128-F206 AromaticContact CE3-CD2 3.93Å; W128-F206 HydrophobicContact CE3-CD2 3.93Å; W128-F206 AromaticContact CE3-CE2 3.62Å; W128-F206 HydrophobicContact CE3-CE2 3.62Å; W128-F206 AromaticContact CG-CD2 3.76Å; W128-F206 HydrophobicContact CG-CD2 3.76Å; W128-F206 HydrophobicContact CG-CE2 4.33Å; W128-F206 HydrophobicContact CZ3-CE2 4.13Å; W128-E209 HydrophobicContact CZ2-CB 4.15Å; W128-E209 PolarHBondContact NE1-OE2 3.2Å
129	R	93.6	Very high	89.3	Confident	10 Å²	10	46.9 Å²	46.9	4%	0.038	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.1	-178.4	-68.6	-175.8	174.3	-85.8	-0.7	110.8	L60 Y61 D69 D72 D134 E135	L60-R129 VanDerWaalsContact CA-O 3.29Å; L60-R129 WeakPolarHBondContact CA-O 3.43Å; Y61-R129 HydrophobicContact CD1-CB 4.22Å; Y61-R129 HydrophobicContact CE1-CB 3.61Å; Y61-R129 PolarHBondContact N-O 3.09Å; Y61-R129 PolarHBondContact O-N 3.42Å; D69-R129 IonicContact OD1-CZ 2.77Å; D69-R129 IonicContact OD1-NE 3.69Å; D69-R129 PolarHBondContact OD1-NE 2.88Å; D69-R129 IonicContact OD1-NH2 2.7Å; D69-R129 PolarHBondContact OD1-NH2 3.45Å; D72-R129 IonicContact OD2-CZ 2.68Å; D72-R129 VanDerWaalsContact OD2-CZ 3.3Å; D72-R129 IonicContact OD2-NH1 2.72Å; D72-R129 PolarHBondContact OD2-NH1 2.68Å; D72-R129 IonicContact OD2-NH2 3.95Å; D72-R129 PolarHBondContact OD2-NH2 3.46Å; R129-D134 WeakPolarHBondContact CD-O 3.01Å; R129-D134 WeakPolarHBondContact CD-OD1 3.35Å; R129-D134 PolarHBondContact NH1-O 3.44Å; R129-E135 VanDerWaalsContact CA-O 3.23Å; R129-E135 WeakPolarHBondContact CA-O 3.45Å
130	Q	92.4	Very high	89.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.2	177.9	-32.3	179.6	31.9	0	0	108.8	H132 N133 D134 E135 M202	Q130-H132 PolarHBondContact O-N 2.68Å; Q130-H132 VanDerWaalsContact O-N 3.15Å; Q130-H132 PolarHBondContact OE1-CE1 2.98Å; Q130-H132 PolarHBondContact OE1-NE2 3.06Å; Q130-N133 WeakPolarHBondContact CB-OD1 3.26Å; Q130-D134 WeakPolarHBondContact O-CA 3.38Å; Q130-D134 PolarHBondContact O-N 2.67Å; Q130-E135 HydrophobicContact CG-CB 4.22Å; Q130-E135 PolarHBondContact N-O 3.35Å; Q130-E135 PolarHBondContact NE2-OE2 2.91Å; Q130-M202 HydrophobicContact CB-CE 3.89Å; Q130-M202 HydrophobicContact CG-CE 3.5Å; Q130-M202 VanDerWaalsContact CG-CE 3.5Å
131	I	90.3	Very high	90.5	Very high	91 Å²	91	37.8 Å²	37.8	47%	0.467	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	-173.1	-78.6	164.6	0	0	0	113.1	G58 F59 Y61	G58-I131 WeakPolarHBondContact O-CD1 3.18Å; F59-I131 PolarHBondContact O-N 3.48Å; Y61-I131 HydrophobicContact CD1-CG1 3.81Å; Y61-I131 HydrophobicContact CG-CG1 4.35Å
132	H	86.2	Confident	91.3	Very high	115 Å²	115	33.1 Å²	33.1	53%	0.532	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-24.4	-169.9	61.7	-84.1	0	0	0	114.5	Q130	Q130-H132 PolarHBondContact O-N 2.68Å; Q130-H132 VanDerWaalsContact O-N 3.15Å; Q130-H132 PolarHBondContact OE1-CE1 2.98Å; Q130-H132 PolarHBondContact OE1-NE2 3.06Å
133	N	90.6	Very high	91.7	Very high	58 Å²	58	30.8 Å²	30.8	31%	0.31	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137	1.7	-174.6	69.6	3.8	0	0	0	114.4	Q130 E135	Q130-N133 WeakPolarHBondContact CB-OD1 3.26Å; N133-E135 HydrophobicContact CB-CG 4.49Å; N133-E135 WeakPolarHBondContact ND2-CG 3.48Å; N133-E135 PolarHBondContact ND2-OE2 2.84Å; N133-E135 PolarHBondContact O-N 2.82Å; N133-E135 VanDerWaalsContact O-N 3.15Å; N133-E135 WeakPolarHBondContact OD1-CB 3.28Å; N133-E135 WeakPolarHBondContact OD1-CG 3.24Å; N133-E135 PolarHBondContact OD1-N 3.4Å
134	D	91.6	Very high	91.6	Very high	74 Å²	74	29.4 Å²	29.4	40%	0.396	14%	0.142	S	C	.	.			trans	62.4	10.6	-178.7	-159.3	41.4	0	0	0	115.9	Y61 R129 Q130	Y61-D134 PolarHBondContact OH-OD1 3.01Å; R129-D134 WeakPolarHBondContact CD-O 3.01Å; R129-D134 WeakPolarHBondContact CD-OD1 3.35Å; R129-D134 PolarHBondContact NH1-O 3.44Å; Q130-D134 WeakPolarHBondContact O-CA 3.38Å; Q130-D134 PolarHBondContact O-N 2.67Å
135	E	92.4	Very high	91	Very high	88 Å²	88	25.9 Å²	25.9	41%	0.411	13%	0.127	S	C	.	.			trans	-67.4	144.5	179.7	-73.2	-179.7	162.5	0	0	111.8	R129 Q130 N133 Y137	R129-E135 VanDerWaalsContact CA-O 3.23Å; R129-E135 WeakPolarHBondContact CA-O 3.45Å; Q130-E135 HydrophobicContact CG-CB 4.22Å; Q130-E135 PolarHBondContact N-O 3.35Å; Q130-E135 PolarHBondContact NE2-OE2 2.91Å; N133-E135 HydrophobicContact CB-CG 4.49Å; N133-E135 WeakPolarHBondContact ND2-CG 3.48Å; N133-E135 PolarHBondContact ND2-OE2 2.84Å; N133-E135 PolarHBondContact O-N 2.82Å; N133-E135 VanDerWaalsContact O-N 3.15Å; N133-E135 WeakPolarHBondContact OD1-CB 3.28Å; N133-E135 WeakPolarHBondContact OD1-CG 3.24Å; N133-E135 PolarHBondContact OD1-N 3.4Å; E135-Y137 PolarHBondContact O-N 2.95Å
136	L	92.3	Very high	90.2	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	119.4	174.2	-178.4	72.1	0	0	0	110.2	D72 V73 V127 G138 N188	D72-L136 HydrophobicContact CB-CB 3.86Å; D72-L136 HydrophobicContact CB-CD2 3.72Å; D72-L136 HydrophobicContact CB-CG 4.35Å; D72-L136 VanDerWaalsContact O-CD2 3.29Å; D72-L136 WeakPolarHBondContact O-CD2 3.4Å; V73-L136 HydrophobicContact CG2-CD2 3.78Å; V127-L136 HydrophobicContact CB-CD1 3.93Å; V127-L136 HydrophobicContact CG1-CD1 4.11Å; L136-G138 WeakPolarHBondContact CD1-O 3.32Å; L136-N188 WeakPolarHBondContact O-CB 3.07Å; L136-N188 PolarHBondContact O-ND2 3.45Å; L136-N188 VanDerWaalsContact O-ND2 3.11Å
137	Y	91.6	Very high	89.4	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-42.4	172.8	-175.6	-100.8	0	0	0	112	L60 W128 E135 H187 N188 P190 M202 M203 F206	L60-Y137 HydrophobicContact CD1-CD1 3.4Å; L60-Y137 VanDerWaalsContact CD1-CD1 3.4Å; L60-Y137 HydrophobicContact CD1-CE1 3.76Å; L60-Y137 HydrophobicContact CD1-CG 4.07Å; L60-Y137 HydrophobicContact CD2-CD1 3.85Å; L60-Y137 HydrophobicContact CD2-CD2 4.19Å; L60-Y137 HydrophobicContact CD2-CG 3.59Å; L60-Y137 HydrophobicContact CG-CD1 4.27Å; L60-Y137 HydrophobicContact CG-CG 4.49Å; W128-Y137 WeakPolarHBondContact O-CB 3.41Å; W128-Y137 PolarHBondContact O-N 3.08Å; E135-Y137 PolarHBondContact O-N 2.95Å; Y137-H187 AromaticContact CE1-CD2 3.63Å; Y137-H187 AromaticContact CE1-NE2 3.71Å; Y137-H187 AromaticContact CE2-NE2 3.55Å; Y137-H187 AromaticContact CZ-CD2 3.66Å; Y137-H187 AromaticContact CZ-NE2 3.21Å; Y137-H187 PolarHBondContact O-CD2 3.48Å; Y137-H187 PolarHBondContact OH-NE2 3.49Å; Y137-N188 PolarHBondContact O-N 3.38Å; Y137-P190 HydrophobicContact CD2-CB 4.13Å; Y137-P190 HydrophobicContact CE2-CB 3.84Å; Y137-P190 HydrophobicContact CE2-CG 3.95Å; Y137-M202 HydrophobicContact CD2-CB 4.49Å; Y137-M202 HydrophobicContact CD2-CE 3.59Å; Y137-M202 HydrophobicContact CE1-CB 4.23Å; Y137-M202 HydrophobicContact CE2-CB 3.81Å; Y137-M202 HydrophobicContact CE2-CE 3.88Å; Y137-M202 HydrophobicContact CE2-SD 4.49Å; Y137-M202 HydrophobicContact CG-CE 4.25Å; Y137-M203 WeakPolarHBondContact OH-CA 3.33Å; Y137-M203 VanDerWaalsContact OH-CB 3.31Å; Y137-M203 WeakPolarHBondContact OH-CB 3.38Å; Y137-M203 PolarHBondContact OH-N 2.93Å; Y137-F206 HydrophobicContact CD1-CB 3.88Å; Y137-F206 HydrophobicContact CD1-CD2 4.43Å; Y137-F206 HydrophobicContact CD1-CG 4.04Å; Y137-F206 HydrophobicContact CE1-CB 3.51Å; Y137-F206 HydrophobicContact CE1-CD1 4.12Å; Y137-F206 AromaticContact CE1-CG 3.88Å; Y137-F206 HydrophobicContact CE1-CG 3.88Å
138	G	92.4	Very high	88.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	165.7	-178	0	0	0	0	0	113	W128 L136 L186	W128-G138 PolarHBondContact N-O 3.44Å; W128-G138 PolarHBondContact O-N 2.75Å; L136-G138 WeakPolarHBondContact CD1-O 3.32Å; G138-L186 CarbonylContact C-O 3.43Å; G138-L186 VanDerWaalsContact CA-O 3.23Å; G138-L186 WeakPolarHBondContact CA-O 3.36Å
139	V	93.9	Very high	87.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.8	-178	55.6	0	0	0	0	110.1	L65 V73 Y126 V127 L141 R185 L186	L65-V139 HydrophobicContact CD1-CG2 4.23Å; V73-V139 HydrophobicContact CG1-CG1 4.2Å; V73-V139 HydrophobicContact CG2-CB 4.33Å; V73-V139 HydrophobicContact CG2-CG1 4.28Å; V73-V139 HydrophobicContact CG2-CG2 4.22Å; Y126-V139 WeakPolarHBondContact O-CA 3.38Å; Y126-V139 WeakPolarHBondContact O-CG2 3.39Å; V127-V139 HydrophobicContact CG1-CB 4.18Å; V127-V139 HydrophobicContact CG1-CG2 3.89Å; V139-L141 HydrophobicContact CG2-CD2 3.45Å; V139-L141 VanDerWaalsContact CG2-CD2 3.45Å; V139-L141 HydrophobicContact CG2-CG 3.95Å; V139-R185 WeakPolarHBondContact O-CA 3.31Å; V139-L186 HydrophobicContact CG1-CB 3.56Å; V139-L186 HydrophobicContact CG1-CD1 3.71Å; V139-L186 HydrophobicContact CG1-CG 3.87Å; V139-L186 PolarHBondContact N-O 3.39Å; V139-L186 PolarHBondContact O-N 3.38Å
140	M	93.1	Very high	86.9	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	109.6	169.3	-170.9	173.1	73.3	0	0	108.9	S125 Y126 W128 I142 Y183 I184 L213	S125-M140 WeakPolarHBondContact CA-O 3.42Å; S125-M140 WeakPolarHBondContact CB-O 3.39Å; Y126-M140 PolarHBondContact N-O 3.17Å; Y126-M140 PolarHBondContact O-N 2.92Å; W128-M140 HydrophobicContact CH2-CB 3.91Å; W128-M140 HydrophobicContact CZ3-CB 3.62Å; M140-I142 HydrophobicContact CE-CD1 4.41Å; M140-Y183 HydrophobicContact SD-CD1 4.28Å; M140-I184 WeakPolarHBondContact CA-O 3.42Å; M140-L213 HydrophobicContact CE-CB 3.87Å; M140-L213 HydrophobicContact CE-CD2 3.2Å; M140-L213 HydrophobicContact CE-CG 4.05Å
141	L	93.2	Very high	86.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.2	175	-50.2	176.9	0	0	0	109.2	L65 L77 A115 V139 Y183 I184	L65-L141 HydrophobicContact CD1-CD2 4.17Å; L65-L141 HydrophobicContact CD2-CD2 3.53Å; L65-L141 HydrophobicContact CG-CD2 4.47Å; L77-L141 HydrophobicContact CD1-CD1 3.75Å; L77-L141 HydrophobicContact CD2-CD1 3.78Å; L77-L141 HydrophobicContact CG-CD1 4.37Å; A115-L141 HydrophobicContact CB-CB 3.92Å; A115-L141 HydrophobicContact CB-CD2 3.98Å; A115-L141 HydrophobicContact CB-CG 4.4Å; V139-L141 HydrophobicContact CG2-CD2 3.45Å; V139-L141 VanDerWaalsContact CG2-CD2 3.45Å; V139-L141 HydrophobicContact CG2-CG 3.95Å; L141-Y183 WeakPolarHBondContact O-CA 3.35Å; L141-I184 HydrophobicContact CB-CB 4.16Å; L141-I184 PolarHBondContact N-O 2.77Å; L141-I184 PolarHBondContact O-N 3.02Å
142	I	90.4	Very high	86	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.3	172	-50.8	-174.3	0	0	0	107.8	T118 K124 S125 M140 L181 Y183 T217	T118-I142 HydrophobicContact CG2-CG2 4.44Å; K124-I142 WeakPolarHBondContact O-CD1 3.32Å; S125-I142 PolarHBondContact OG-N 3.45Å; M140-I142 HydrophobicContact CE-CD1 4.41Å; I142-L181 HydrophobicContact CG2-CB 4.31Å; I142-L181 HydrophobicContact CG2-CD1 4.17Å; I142-L181 HydrophobicContact CG2-CD2 4.06Å; I142-L181 HydrophobicContact CG2-CG 4.41Å; I142-Y183 HydrophobicContact CD1-CD1 4.22Å; I142-Y183 HydrophobicContact CD1-CE1 3.77Å; I142-Y183 HydrophobicContact CG1-CD1 3.81Å; I142-Y183 HydrophobicContact CG1-CE1 3.83Å; I142-Y183 HydrophobicContact CG2-CD1 4.44Å; I142-Y183 HydrophobicContact CG2-CE1 4.08Å; I142-T217 HydrophobicContact CD1-CG2 4.23Å
143	L	87.7	Confident	85.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.3	179	-57.9	171.1	0	0	0	108.8	Y111 A114 A115 P145 R182 I184	Y111-L143 HydrophobicContact CD2-CD1 4.19Å; Y111-L143 HydrophobicContact CG-CD1 4.16Å; Y111-L143 WeakPolarHBondContact O-CD2 3.37Å; A114-L143 HydrophobicContact CB-CD2 3.67Å; A115-L143 HydrophobicContact CB-CD2 3.79Å; L143-P145 WeakPolarHBondContact O-CD 3.31Å; L143-R182 HydrophobicContact CB-CB 3.97Å; L143-R182 HydrophobicContact CB-CG 4.29Å; L143-R182 HydrophobicContact CD1-CG 4.07Å; L143-R182 PolarHBondContact N-O 3.35Å; L143-R182 PolarHBondContact O-N 2.86Å; L143-I184 HydrophobicContact CD1-CD1 3.51Å; L143-I184 HydrophobicContact CD1-CG1 4.2Å
144	D	83.5	Confident	84.8	Confident	32 Å²	32	53 Å²	53	17%	0.171	26%	0.26	C	S	.	.			trans	-91.9	109.3	167.3	-175.9	-15.4	0	0	0	109.6	K146 Q147 L181	D144-K146 PolarHBondContact O-N 3.06Å; D144-K146 WeakPolarHBondContact OD1-CA 3.25Å; D144-K146 VanDerWaalsContact OD1-CB 3.28Å; D144-K146 WeakPolarHBondContact OD1-CB 3.18Å; D144-K146 PolarHBondContact OD1-N 3.26Å; D144-Q147 HydrophobicContact CB-CB 4.06Å; D144-Q147 HydrophobicContact CB-CG 3.94Å; D144-Q147 PolarHBondContact O-N 3.45Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.11Å; D144-Q147 PolarHBondContact OD2-NE2 3.38Å; D144-L181 HydrophobicContact CB-CD2 4.21Å
145	P	78	Confident	84.3	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.039	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.2	180	-19.8	33.2	0	0	0	114	L143 H155 R159 R180 R182	L143-P145 WeakPolarHBondContact O-CD 3.31Å; P145-H155 PolarHBondContact O-CE1 3.44Å; P145-H155 VanDerWaalsContact O-CE1 3.26Å; P145-R159 PolarHBondContact O-NE 2.71Å; P145-R180 WeakPolarHBondContact CD-O 3.34Å; P145-R182 HydrophobicContact CG-CB 4.07Å
146	K	77.6	Confident	83.9	Confident	145 Å²	145	49.9 Å²	49.9	63%	0.63	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-23.7	177.9	-59.7	-176.3	178.7	-178.3	0	112.2	D144 R159	D144-K146 PolarHBondContact O-N 3.06Å; D144-K146 WeakPolarHBondContact OD1-CA 3.25Å; D144-K146 VanDerWaalsContact OD1-CB 3.28Å; D144-K146 WeakPolarHBondContact OD1-CB 3.18Å; D144-K146 PolarHBondContact OD1-N 3.26Å; K146-R159 PolarHBondContact O-NH2 2.78Å
147	Q	76.6	Confident	83.6	Confident	93 Å²	93	49.6 Å²	49.6	44%	0.435	24%	0.241	S	C	.	.	S	Bend	trans	-88.1	120.5	178.4	-67.8	-179.4	39	0	0	110.3	D144 H155	D144-Q147 HydrophobicContact CB-CB 4.06Å; D144-Q147 HydrophobicContact CB-CG 3.94Å; D144-Q147 PolarHBondContact O-N 3.45Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.11Å; D144-Q147 PolarHBondContact OD2-NE2 3.38Å; Q147-H155 PolarHBondContact O-CE1 2.97Å
148	G	73.5	Confident	83.2	Confident	52 Å²	52	50 Å²	50	54%	0.536	24%	0.243	S	C	.	.	S	Bend	trans	156.6	170.5	177.4	0	0	0	0	0	111.9
149	N	79	Confident	82.9	Confident	96 Å²	96	54.2 Å²	54.2	51%	0.513	26%	0.259	S	S	.	.			trans	-84.8	121.4	176.3	-179.1	0.4	0	0	0	109.5	R151 D152 H155	N149-R151 PolarHBondContact O-N 2.65Å; N149-R151 VanDerWaalsContact O-N 3.15Å; N149-R151 WeakPolarHBondContact OD1-CB 3.38Å; N149-R151 PolarHBondContact OD1-N 2.93Å; N149-D152 HydrophobicContact CB-CB 4.02Å; N149-D152 VanDerWaalsContact O-CB 3.29Å; N149-D152 WeakPolarHBondContact O-CB 3.39Å; N149-D152 PolarHBondContact O-N 2.94Å; N149-H155 WeakPolarHBondContact O-CB 3.35Å; N149-H155 PolarHBondContact O-CD2 2.64Å
150	E	79.7	Confident	82.6	Confident	125 Å²	125	55.5 Å²	55.5	58%	0.584	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	177.4	-60	-166.7	150.2	0	0	113.5	D152 Q156 R159	E150-D152 VanDerWaalsContact C-N 3.34Å; E150-Q156 PolarHBondContact O-NE2 3.29Å; E150-R159 IonicContact OE1-CZ 2.65Å; E150-R159 IonicContact OE1-NH1 2.7Å; E150-R159 PolarHBondContact OE1-NH1 2.9Å; E150-R159 IonicContact OE1-NH2 3.75Å; E150-R159 PolarHBondContact OE1-NH2 3.44Å
151	R	80	Confident	82.3	Confident	221 Å²	221	55.3 Å²	55.3	83%	0.834	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.1	174	-58.1	-177.2	179.4	180	-0.2	113.4	N149 E153	N149-R151 PolarHBondContact O-N 2.65Å; N149-R151 VanDerWaalsContact O-N 3.15Å; N149-R151 WeakPolarHBondContact OD1-CB 3.38Å; N149-R151 PolarHBondContact OD1-N 2.93Å; R151-E153 PolarHBondContact O-N 3.43Å
152	D	81.7	Confident	82.1	Confident	46 Å²	46	55.8 Å²	55.8	25%	0.246	27%	0.271	C	S	.	.			trans	-79.1	116.6	175.2	-173.4	-11.9	0	0	0	109.2	N149 E150 M154 H155 Q156	N149-D152 HydrophobicContact CB-CB 4.02Å; N149-D152 VanDerWaalsContact O-CB 3.29Å; N149-D152 WeakPolarHBondContact O-CB 3.39Å; N149-D152 PolarHBondContact O-N 2.94Å; E150-D152 VanDerWaalsContact C-N 3.34Å; D152-M154 PolarHBondContact O-N 2.89Å; D152-M154 VanDerWaalsContact O-N 3.1Å; D152-M154 WeakPolarHBondContact OD1-CB 3.29Å; D152-M154 WeakPolarHBondContact OD1-CG 2.87Å; D152-M154 PolarHBondContact OD1-N 2.88Å; D152-H155 HydrophobicContact CB-CB 4.05Å; D152-H155 WeakPolarHBondContact O-CB 3.49Å; D152-H155 PolarHBondContact O-N 3.49Å; D152-H155 VanDerWaalsContact O-N 3.12Å; D152-Q156 WeakPolarHBondContact O-CG 3.37Å; D152-Q156 PolarHBondContact O-N 3.3Å; D152-Q156 VanDerWaalsContact O-N 3.1Å
153	E	75	Confident	81.9	Confident	98 Å²	98	63.1 Å²	63.1	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-25	178.3	-52.1	-178.3	157	0	0	112.1	I102 R151 Q156 I157	I102-E153 HydrophobicContact CD1-CB 3.66Å; R151-E153 PolarHBondContact O-N 3.43Å; E153-Q156 WeakPolarHBondContact O-CB 3.44Å; E153-Q156 PolarHBondContact O-N 3.48Å; E153-I157 PolarHBondContact O-N 2.96Å; E153-I157 VanDerWaalsContact O-N 3.11Å
154	M	76.8	Confident	81.9	Confident	22 Å²	22	65.7 Å²	65.7	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-75.8	-39.9	-179.1	-51.4	169.1	94.5	0	0	110.8	Q106 L107 K110 D152 Q156 I157 L158	Q106-M154 HydrophobicContact CB-CE 3.58Å; Q106-M154 WeakPolarHBondContact O-CE 3.44Å; L107-M154 HydrophobicContact CB-CE 4.28Å; L107-M154 HydrophobicContact CD1-CB 3.81Å; L107-M154 HydrophobicContact CD1-CG 4.41Å; K110-M154 HydrophobicContact CB-CE 3.73Å; K110-M154 HydrophobicContact CB-SD 3.99Å; K110-M154 HydrophobicContact CD-CE 4.19Å; K110-M154 HydrophobicContact CD-SD 3.5Å; K110-M154 WeakPolarHBondContact CD-SD 3.43Å; K110-M154 HydrophobicContact CG-CE 3.46Å; K110-M154 VanDerWaalsContact CG-CE 3.46Å; K110-M154 HydrophobicContact CG-SD 3.46Å; K110-M154 WeakPolarHBondContact CG-SD 3.42Å; D152-M154 PolarHBondContact O-N 2.89Å; D152-M154 VanDerWaalsContact O-N 3.1Å; D152-M154 WeakPolarHBondContact OD1-CB 3.29Å; D152-M154 WeakPolarHBondContact OD1-CG 2.87Å; D152-M154 PolarHBondContact OD1-N 2.88Å; M154-Q156 VanDerWaalsContact C-N 3.28Å; M154-Q156 PolarHBondContact O-N 3.34Å; M154-I157 PolarHBondContact O-N 3.33Å; M154-L158 PolarHBondContact O-N 2.91Å
155	H	82.1	Confident	82.1	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.065	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-36.2	170	-176.6	68.1	0	0	0	111.5	P145 Q147 N149 D152 I157 L158 R159	P145-H155 PolarHBondContact O-CE1 3.44Å; P145-H155 VanDerWaalsContact O-CE1 3.26Å; Q147-H155 PolarHBondContact O-CE1 2.97Å; N149-H155 WeakPolarHBondContact O-CB 3.35Å; N149-H155 PolarHBondContact O-CD2 2.64Å; D152-H155 HydrophobicContact CB-CB 4.05Å; D152-H155 WeakPolarHBondContact O-CB 3.49Å; D152-H155 PolarHBondContact O-N 3.49Å; D152-H155 VanDerWaalsContact O-N 3.12Å; H155-I157 VanDerWaalsContact C-N 3.34Å; H155-I157 PolarHBondContact O-N 2.91Å; H155-L158 PolarHBondContact O-N 2.98Å; H155-R159 VanDerWaalsContact NE2-CZ 3.33Å; H155-R159 PolarHBondContact NE2-NE 2.61Å; H155-R159 PolarHBondContact NE2-NH2 2.87Å; H155-R159 PolarHBondContact O-N 2.97Å
156	Q	83.8	Confident	82.6	Confident	82 Å²	82	64.7 Å²	64.7	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-37.4	174.9	-64.7	171.7	12.8	0	0	112.1	M99 E150 D152 E153 M154 A160	M99-Q156 VanDerWaalsContact CE-C 3.5Å; M99-Q156 HydrophobicContact CE-CB 4.29Å; M99-Q156 WeakPolarHBondContact CE-O 3.23Å; E150-Q156 PolarHBondContact O-NE2 3.29Å; D152-Q156 WeakPolarHBondContact O-CG 3.37Å; D152-Q156 PolarHBondContact O-N 3.3Å; D152-Q156 VanDerWaalsContact O-N 3.1Å; E153-Q156 WeakPolarHBondContact O-CB 3.44Å; E153-Q156 PolarHBondContact O-N 3.48Å; M154-Q156 VanDerWaalsContact C-N 3.28Å; M154-Q156 PolarHBondContact O-N 3.34Å; Q156-A160 VanDerWaalsContact O-CB 3.23Å; Q156-A160 WeakPolarHBondContact O-CB 3.2Å; Q156-A160 PolarHBondContact O-N 3.09Å
157	I	85.9	Confident	83.1	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-48.9	173.4	-72.6	176.7	0	0	0	111.4	D85 V89 M99 I102 L107 E153 M154 H155 R159 A160 S161	D85-I157 HydrophobicContact CB-CG2 4.21Å; V89-I157 HydrophobicContact CG2-CG2 4.22Å; M99-I157 HydrophobicContact CE-CB 4.07Å; M99-I157 HydrophobicContact CE-CG1 3.5Å; M99-I157 VanDerWaalsContact CE-CG1 3.5Å; M99-I157 HydrophobicContact CG-CD1 4.16Å; M99-I157 HydrophobicContact CG-CG1 3.63Å; M99-I157 HydrophobicContact SD-CG1 4.42Å; I102-I157 HydrophobicContact CB-CD1 4.24Å; I102-I157 HydrophobicContact CD1-CD1 3.52Å; I102-I157 HydrophobicContact CD1-CG1 4.28Å; I102-I157 HydrophobicContact CG1-CD1 4.4Å; I102-I157 HydrophobicContact CG2-CD1 4.35Å; L107-I157 HydrophobicContact CD2-CB 4.34Å; L107-I157 HydrophobicContact CD2-CD1 3.73Å; L107-I157 HydrophobicContact CD2-CG2 3.82Å; E153-I157 PolarHBondContact O-N 2.96Å; E153-I157 VanDerWaalsContact O-N 3.11Å; M154-I157 PolarHBondContact O-N 3.33Å; H155-I157 VanDerWaalsContact C-N 3.34Å; H155-I157 PolarHBondContact O-N 2.91Å; I157-R159 VanDerWaalsContact C-N 3.35Å; I157-R159 PolarHBondContact O-N 2.96Å; I157-A160 PolarHBondContact O-N 3.03Å; I157-S161 WeakPolarHBondContact O-CB 3.27Å; I157-S161 PolarHBondContact O-N 2.04Å
158	L	84	Confident	83.7	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-48.9	179	179.8	60.8	0	0	0	110.8	Y111 M154 H155 S161 T162 R182	Y111-L158 HydrophobicContact CE1-CB 4.08Å; Y111-L158 HydrophobicContact CE1-CD1 4.45Å; M154-L158 PolarHBondContact O-N 2.91Å; H155-L158 PolarHBondContact O-N 2.98Å; L158-S161 PolarHBondContact O-N 3.4Å; L158-T162 WeakPolarHBondContact O-CB 3.18Å; L158-T162 PolarHBondContact O-N 3.32Å; L158-T162 PolarHBondContact O-OG1 3.02Å; L158-R182 HydrophobicContact CD1-CB 4.48Å; L158-R182 HydrophobicContact CD1-CG 4.05Å
159	R	86	Confident	84.4	Confident	91 Å²	91	54.1 Å²	54.1	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-43.7	178.2	-79	-164.8	174.3	176.5	9.4	113.2	P145 K146 E150 H155 I157 S161 T162 Y163	P145-R159 PolarHBondContact O-NE 2.71Å; K146-R159 PolarHBondContact O-NH2 2.78Å; E150-R159 IonicContact OE1-CZ 2.65Å; E150-R159 IonicContact OE1-NH1 2.7Å; E150-R159 PolarHBondContact OE1-NH1 2.9Å; E150-R159 IonicContact OE1-NH2 3.75Å; E150-R159 PolarHBondContact OE1-NH2 3.44Å; H155-R159 VanDerWaalsContact NE2-CZ 3.33Å; H155-R159 PolarHBondContact NE2-NE 2.61Å; H155-R159 PolarHBondContact NE2-NH2 2.87Å; H155-R159 PolarHBondContact O-N 2.97Å; I157-R159 VanDerWaalsContact C-N 3.35Å; I157-R159 PolarHBondContact O-N 2.96Å; R159-S161 VanDerWaalsContact C-N 3.35Å; R159-T162 PolarHBondContact O-N 2.87Å; R159-Y163 WeakPolarHBondContact O-CB 3.47Å; R159-Y163 PolarHBondContact O-N 3.35Å
160	A	86.5	Confident	84.8	Confident	28 Å²	28	51.3 Å²	51.3	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-41	178.8	0	0	0	0	0	111.7	V89 M99 Q156 I157 Y163 Q164	V89-A160 HydrophobicContact CG2-CB 3.92Å; M99-A160 HydrophobicContact CE-CB 3.66Å; Q156-A160 VanDerWaalsContact O-CB 3.23Å; Q156-A160 WeakPolarHBondContact O-CB 3.2Å; Q156-A160 PolarHBondContact O-N 3.09Å; I157-A160 PolarHBondContact O-N 3.03Å; A160-Y163 PolarHBondContact O-N 3.24Å; A160-Q164 WeakPolarHBondContact O-CG 2.93Å; A160-Q164 PolarHBondContact O-N 2.99Å; A160-Q164 VanDerWaalsContact O-N 3.11Å
161	S	87.8	Confident	85.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-45.3	175	-177	0	0	0	0	111.6	D85 I88 I157 L158 R159 R165	D85-S161 PolarHBondContact OD1-OG 3.16Å; I88-S161 WeakPolarHBondContact CG2-OG 3.39Å; I157-S161 WeakPolarHBondContact O-CB 3.27Å; I157-S161 PolarHBondContact O-N 2.04Å; L158-S161 PolarHBondContact O-N 3.4Å; R159-S161 VanDerWaalsContact C-N 3.35Å; S161-R165 VanDerWaalsContact O-CZ 3.31Å; S161-R165 PolarHBondContact O-N 3.47Å; S161-R165 PolarHBondContact O-NH1 2.87Å; S161-R165 VanDerWaalsContact O-NH1 3.16Å; S161-R165 PolarHBondContact OG-NH1 2.88Å
162	T	88	Confident	85.6	Confident	11 Å²	11	41.7 Å²	41.7	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-49.2	173.3	-73.7	0	0	0	0	112.2	L158 R159 Q164 R165 D166 E179	L158-T162 WeakPolarHBondContact O-CB 3.18Å; L158-T162 PolarHBondContact O-N 3.32Å; L158-T162 PolarHBondContact O-OG1 3.02Å; R159-T162 PolarHBondContact O-N 2.87Å; T162-Q164 VanDerWaalsContact C-N 3.31Å; T162-Q164 PolarHBondContact O-N 3.25Å; T162-R165 VanDerWaalsContact CA-NH2 3.31Å; T162-R165 WeakPolarHBondContact O-CB 3.41Å; T162-R165 PolarHBondContact O-N 3.46Å; T162-R165 PolarHBondContact OG1-NH2 3.04Å; T162-R165 VanDerWaalsContact OG1-NH2 3.11Å; T162-D166 WeakPolarHBondContact CG2-OD2 3.35Å; T162-D166 PolarHBondContact O-N 3.27Å; T162-E179 VanDerWaalsContact CB-OE2 3.32Å; T162-E179 WeakPolarHBondContact CB-OE2 3.37Å; T162-E179 HydrophobicContact CG2-CB 3.59Å; T162-E179 HydrophobicContact CG2-CG 4.39Å; T162-E179 VanDerWaalsContact CG2-OE2 3.32Å; T162-E179 WeakPolarHBondContact CG2-OE2 3.44Å; T162-E179 PolarHBondContact OG1-OE2 3.01Å
163	Y	87.4	Confident	85.9	Confident	154 Å²	154	41 Å²	41	60%	0.604	20%	0.199	S	C	*	.	H	α-helix	trans	-56.3	-44	-178.8	177.2	-110.4	0	0	0	112.6	R159 A160 R165 D166 I167	R159-Y163 WeakPolarHBondContact O-CB 3.47Å; R159-Y163 PolarHBondContact O-N 3.35Å; A160-Y163 PolarHBondContact O-N 3.24Å; Y163-R165 VanDerWaalsContact C-N 3.33Å; Y163-R165 PolarHBondContact O-N 3.2Å; Y163-D166 PolarHBondContact O-N 3.45Å; Y163-I167 HydrophobicContact CD1-CD1 3.68Å; Y163-I167 HydrophobicContact CD2-CD1 4.01Å; Y163-I167 HydrophobicContact CD2-CG1 4.37Å; Y163-I167 HydrophobicContact CE1-CD1 3.2Å; Y163-I167 HydrophobicContact CE1-CG1 4.44Å; Y163-I167 HydrophobicContact CE2-CD1 3.55Å; Y163-I167 HydrophobicContact CE2-CG1 4.04Å; Y163-I167 HydrophobicContact CG-CD1 4.07Å; Y163-I167 WeakPolarHBondContact O-CG1 3.26Å; Y163-I167 PolarHBondContact O-N 3.11Å; Y163-I167 WeakPolarHBondContact OH-CD1 3.24Å
164	Q	87.6	Confident	86	Confident	54 Å²	54	45.3 Å²	45.3	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-35.8	178.5	-70	-171.6	11.8	0	0	113	I88 A160 T162 C168 N259	I88-Q164 HydrophobicContact CD1-CB 4.11Å; I88-Q164 HydrophobicContact CG1-CB 4.35Å; I88-Q164 VanDerWaalsContact CG1-OE1 3.24Å; I88-Q164 PolarHBondContact O-OE1 2.86Å; A160-Q164 WeakPolarHBondContact O-CG 2.93Å; A160-Q164 PolarHBondContact O-N 2.99Å; A160-Q164 VanDerWaalsContact O-N 3.11Å; T162-Q164 VanDerWaalsContact C-N 3.31Å; T162-Q164 PolarHBondContact O-N 3.25Å; Q164-C168 VanDerWaalsContact O-CB 3.23Å; Q164-C168 WeakPolarHBondContact O-CB 3.26Å; Q164-C168 PolarHBondContact O-N 3.26Å; Q164-C168 VanDerWaalsContact O-N 3.15Å; Q164-N259 PolarHBondContact OE1-ND2 3.32Å
165	R	87.8	Confident	85.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.1	-46.9	174.7	-79.5	-169.7	-62.7	-82	1.5	112.4	F38 D85 I88 S161 T162 Y163 I167 C168 A169 E179 R182 F230	F38-R165 HydrophobicContact CD1-CB 4.44Å; F38-R165 HydrophobicContact CG-CB 4.43Å; D85-R165 IonicContact OD1-NH1 3.61Å; I88-R165 HydrophobicContact CD1-CG 3.97Å; S161-R165 VanDerWaalsContact O-CZ 3.31Å; S161-R165 PolarHBondContact O-N 3.47Å; S161-R165 PolarHBondContact O-NH1 2.87Å; S161-R165 VanDerWaalsContact O-NH1 3.16Å; S161-R165 PolarHBondContact OG-NH1 2.88Å; T162-R165 VanDerWaalsContact CA-NH2 3.31Å; T162-R165 WeakPolarHBondContact O-CB 3.41Å; T162-R165 PolarHBondContact O-N 3.46Å; T162-R165 PolarHBondContact OG1-NH2 3.04Å; T162-R165 VanDerWaalsContact OG1-NH2 3.11Å; Y163-R165 VanDerWaalsContact C-N 3.33Å; Y163-R165 PolarHBondContact O-N 3.2Å; R165-I167 PolarHBondContact O-N 2.96Å; R165-C168 WeakPolarHBondContact O-CB 3.19Å; R165-C168 PolarHBondContact O-N 3.28Å; R165-A169 PolarHBondContact O-N 2.75Å; R165-E179 IonicContact CZ-OE2 3.45Å; R165-E179 IonicContact NE-OE1 3.99Å; R165-E179 IonicContact NE-OE2 3.27Å; R165-E179 PolarHBondContact NE-OE2 3.11Å; R165-E179 IonicContact NH2-OE1 3.56Å; R165-E179 IonicContact NH2-OE2 2.79Å; R165-E179 PolarHBondContact NH2-OE2 2.9Å; R165-R182 VanDerWaalsContact CZ-CZ 3.45Å; R165-R182 VanDerWaalsContact NH2-CZ 3.33Å; R165-F230 HydrophobicContact CB-CD2 4.22Å; R165-F230 HydrophobicContact CB-CE2 3.65Å; R165-F230 HydrophobicContact CG-CD2 3.74Å; R165-F230 HydrophobicContact CG-CE2 3.64Å
166	D	87.8	Confident	85	Confident	17 Å²	17	47 Å²	47	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-46.6	-179.2	-76.9	-17.5	0	0	0	110.7	F38 T162 Y163 A169 S170 E179	F38-D166 WeakPolarHBondContact CD2-OD1 3.02Å; F38-D166 WeakPolarHBondContact CE2-OD1 3.39Å; T162-D166 WeakPolarHBondContact CG2-OD2 3.35Å; T162-D166 PolarHBondContact O-N 3.27Å; Y163-D166 PolarHBondContact O-N 3.45Å; D166-A169 PolarHBondContact O-N 3.13Å; D166-S170 WeakPolarHBondContact O-CB 3.43Å; D166-S170 PolarHBondContact O-N 3Å; D166-S170 PolarHBondContact O-OG 3.36Å; D166-E179 PolarHBondContact OD1-N 3.37Å; D166-E179 PolarHBondContact OD2-N 2.68Å; D166-E179 VanDerWaalsContact OD2-N 3.08Å
167	I	88.3	Confident	84.1	Confident	68 Å²	68	43.4 Å²	43.4	35%	0.349	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-51.7	174.3	-68.9	164.6	0	0	0	111.1	Y163 R165 A169 S170 L171	Y163-I167 HydrophobicContact CD1-CD1 3.68Å; Y163-I167 HydrophobicContact CD2-CD1 4.01Å; Y163-I167 HydrophobicContact CD2-CG1 4.37Å; Y163-I167 HydrophobicContact CE1-CD1 3.2Å; Y163-I167 HydrophobicContact CE1-CG1 4.44Å; Y163-I167 HydrophobicContact CE2-CD1 3.55Å; Y163-I167 HydrophobicContact CE2-CG1 4.04Å; Y163-I167 HydrophobicContact CG-CD1 4.07Å; Y163-I167 WeakPolarHBondContact O-CG1 3.26Å; Y163-I167 PolarHBondContact O-N 3.11Å; Y163-I167 WeakPolarHBondContact OH-CD1 3.24Å; R165-I167 PolarHBondContact O-N 2.96Å; I167-A169 VanDerWaalsContact C-N 3.27Å; I167-A169 PolarHBondContact O-N 3.34Å; I167-S170 PolarHBondContact O-N 3.06Å; I167-S170 VanDerWaalsContact O-N 3.08Å; I167-L171 HydrophobicContact CG2-CD1 3.91Å; I167-L171 HydrophobicContact CG2-CG 4.26Å; I167-L171 WeakPolarHBondContact O-CG 3.28Å; I167-L171 PolarHBondContact O-N 3.02Å
168	C	88.5	Confident	83.4	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-54.1	-46.5	-177.9	172.6	0	0	0	0	111.3	Q164 R165 L172 F230 C257 F262	Q164-C168 VanDerWaalsContact O-CB 3.23Å; Q164-C168 WeakPolarHBondContact O-CB 3.26Å; Q164-C168 PolarHBondContact O-N 3.26Å; Q164-C168 VanDerWaalsContact O-N 3.15Å; R165-C168 WeakPolarHBondContact O-CB 3.19Å; R165-C168 PolarHBondContact O-N 3.28Å; C168-L172 PolarHBondContact O-N 3.4Å; C168-F230 HydrophobicContact CB-CZ 3.99Å; C168-F230 VanDerWaalsContact SG-CE1 3.51Å; C168-F230 VanDerWaalsContact SG-CZ 3.55Å; C168-C257 VanDerWaalsContact CA-SG 3.51Å; C168-C257 HydrophobicContact CB-CB 3.62Å; C168-C257 WeakPolarHBondContact CB-SG 3.03Å; C168-C257 WeakPolarHBondContact SG-CB 3.07Å; C168-C257 CovalentContact SG-SG 2.01Å; C168-C257 PolarHBondContact SG-SG 3.38Å; C168-F262 HydrophobicContact CB-CE1 4.07Å; C168-F262 HydrophobicContact CB-CE2 4.13Å; C168-F262 HydrophobicContact CB-CZ 3.65Å; C168-F262 WeakPolarHBondContact SG-CE1 3.33Å; C168-F262 VanDerWaalsContact SG-CZ 3.57Å
169	A	88.7	Confident	82.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.3	-32.9	178.2	0	0	0	0	0	113.4	F38 R165 D166 I167 L171 L172 L173 N177 F230 L267	F38-A169 HydrophobicContact CE1-CB 3.75Å; F38-A169 HydrophobicContact CE2-CB 4.28Å; F38-A169 HydrophobicContact CZ-CB 3.21Å; R165-A169 PolarHBondContact O-N 2.75Å; D166-A169 PolarHBondContact O-N 3.13Å; I167-A169 VanDerWaalsContact C-N 3.27Å; I167-A169 PolarHBondContact O-N 3.34Å; A169-L171 VanDerWaalsContact C-N 3.3Å; A169-L172 PolarHBondContact O-N 3.01Å; A169-L173 HydrophobicContact CB-CD1 4.13Å; A169-L173 VanDerWaalsContact O-CB 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.35Å; A169-L173 VanDerWaalsContact O-CG 3.24Å; A169-L173 WeakPolarHBondContact O-CG 3.24Å; A169-L173 PolarHBondContact O-N 3.06Å; A169-N177 PolarHBondContact O-ND2 3.38Å; A169-N177 VanDerWaalsContact O-ND2 3.11Å; A169-F230 HydrophobicContact CB-CZ 4.17Å; A169-L267 HydrophobicContact CB-CD1 4.32Å
170	S	87.5	Confident	82.4	Confident	36 Å²	36	48.5 Å²	48.5	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-36.5	176.3	-86.8	0	0	0	0	111.7	D166 I167 L172 E174 S175 N177	D166-S170 WeakPolarHBondContact O-CB 3.43Å; D166-S170 PolarHBondContact O-N 3Å; D166-S170 PolarHBondContact O-OG 3.36Å; I167-S170 PolarHBondContact O-N 3.06Å; I167-S170 VanDerWaalsContact O-N 3.08Å; S170-L172 VanDerWaalsContact C-N 3.35Å; S170-E174 PolarHBondContact O-N 2.93Å; S170-E174 VanDerWaalsContact O-N 3.09Å; S170-S175 PolarHBondContact OG-O 3.06Å; S170-N177 WeakPolarHBondContact CA-ND2 3.37Å; S170-N177 PolarHBondContact N-ND2 3.49Å; S170-N177 WeakPolarHBondContact OG-CB 3.28Å; S170-N177 PolarHBondContact OG-N 2.97Å; S170-N177 PolarHBondContact OG-ND2 3.28Å
171	L	89.3	Confident	82	Confident	104 Å²	104	47.3 Å²	47.3	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-38.8	173.6	-68.9	171.5	0	0	0	112.4	I167 A169 V256	I167-L171 HydrophobicContact CG2-CD1 3.91Å; I167-L171 HydrophobicContact CG2-CG 4.26Å; I167-L171 WeakPolarHBondContact O-CG 3.28Å; I167-L171 PolarHBondContact O-N 3.02Å; A169-L171 VanDerWaalsContact C-N 3.3Å; L171-V256 HydrophobicContact CB-CG1 3.77Å; L171-V256 HydrophobicContact CD1-CG1 4.2Å
172	L	88.3	Confident	82	Confident	40 Å²	40	47.3 Å²	47.3	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-85.8	-22.1	-176	-76.7	168	0	0	0	114.6	C168 A169 S170 E248 L253 V256 L267	C168-L172 PolarHBondContact O-N 3.4Å; A169-L172 PolarHBondContact O-N 3.01Å; S170-L172 VanDerWaalsContact C-N 3.35Å; L172-E248 HydrophobicContact CD1-CB 4.32Å; L172-E248 HydrophobicContact CD2-CB 4.28Å; L172-E248 HydrophobicContact CD2-CG 4.4Å; L172-L253 HydrophobicContact CD1-CD1 3.28Å; L172-V256 HydrophobicContact CD1-CG1 4.5Å; L172-V256 HydrophobicContact CD2-CB 4.24Å; L172-V256 HydrophobicContact CD2-CG1 3.99Å; L172-V256 HydrophobicContact CD2-CG2 4.01Å; L172-V256 HydrophobicContact CG-CB 4.44Å; L172-V256 HydrophobicContact CG-CG1 3.88Å; L172-L267 HydrophobicContact CB-CD2 3.68Å; L172-L267 HydrophobicContact CD1-CD2 3.54Å; L172-L267 HydrophobicContact CG-CD2 4.26Å
173	L	86.8	Confident	82	Confident	32 Å²	32	47.1 Å²	47.1	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-122.4	6.3	-170.8	-48.5	167	0	0	0	114	K36 A169 S175 A228 V247 L267 V269	K36-L173 HydrophobicContact CD-CB 4.34Å; K36-L173 HydrophobicContact CD-CD1 3.13Å; K36-L173 HydrophobicContact CD-CG 4.32Å; K36-L173 VanDerWaalsContact CE-CD1 3.49Å; A169-L173 HydrophobicContact CB-CD1 4.13Å; A169-L173 VanDerWaalsContact O-CB 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.35Å; A169-L173 VanDerWaalsContact O-CG 3.24Å; A169-L173 WeakPolarHBondContact O-CG 3.24Å; A169-L173 PolarHBondContact O-N 3.06Å; L173-S175 PolarHBondContact O-N 2.87Å; L173-S175 PolarHBondContact O-OG 2.89Å; L173-A228 HydrophobicContact CD1-CB 4.33Å; L173-V247 HydrophobicContact CD2-CB 4.33Å; L173-V247 HydrophobicContact CD2-CG1 3.7Å; L173-V247 HydrophobicContact CD2-CG2 3.88Å; L173-L267 HydrophobicContact CD1-CD2 4.05Å; L173-L267 HydrophobicContact CD2-CD2 4.13Å; L173-L267 HydrophobicContact CG-CD2 4Å; L173-V269 HydrophobicContact CD1-CG1 3.81Å; L173-V269 HydrophobicContact CD2-CG1 4.01Å
174	E	77.3	Confident	82.1	Confident	188 Å²	188	39.8 Å²	39.8	88%	0.879	21%	0.211	S	C	*	.			trans	52.7	30.9	169.5	-56.3	-178.2	177.8	0	0	114.4	S170	S170-E174 PolarHBondContact O-N 2.93Å; S170-E174 VanDerWaalsContact O-N 3.09Å
175	S	71.4	Confident	82.1	Confident	23 Å²	23	38 Å²	38	16%	0.161	20%	0.203	C	C	.	.	S	Bend	trans	-139.4	151.8	-176.5	32.4	0	0	0	0	111	T34 K36 S170 L173 N177	T34-S175 WeakPolarHBondContact OG1-CB 3.49Å; T34-S175 PolarHBondContact OG1-OG 3.31Å; K36-S175 PolarHBondContact NZ-OG 2.94Å; S170-S175 PolarHBondContact OG-O 3.06Å; L173-S175 PolarHBondContact O-N 2.87Å; L173-S175 PolarHBondContact O-OG 2.89Å; S175-N177 VanDerWaalsContact O-CG 3.29Å; S175-N177 PolarHBondContact O-N 3.25Å; S175-N177 VanDerWaalsContact O-N 3.13Å; S175-N177 PolarHBondContact O-ND2 2.8Å; S175-N177 PolarHBondContact O-OD1 2.85Å
176	G	65.6	Low	82.2	Confident	49 Å²	49	38.1 Å²	38.1	51%	0.505	20%	0.203	S	C	.	.			trans	-65.5	110.2	175.9	0	0	0	0	0	110.4
177	N	66.5	Low	82.2	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.032	20%	0.201	C	C	.	.			trans	-111.1	132.3	-177.2	-60.1	-26.5	0	0	0	109.5	T34 K36 A169 S170 S175	T34-N177 PolarHBondContact O-OD1 2.98Å; K36-N177 HydrophobicContact CB-CB 3.93Å; K36-N177 WeakPolarHBondContact CB-OD1 3.41Å; K36-N177 WeakPolarHBondContact CD-OD1 3.33Å; K36-N177 WeakPolarHBondContact CG-OD1 3.47Å; A169-N177 PolarHBondContact O-ND2 3.38Å; A169-N177 VanDerWaalsContact O-ND2 3.11Å; S170-N177 WeakPolarHBondContact CA-ND2 3.37Å; S170-N177 PolarHBondContact N-ND2 3.49Å; S170-N177 WeakPolarHBondContact OG-CB 3.28Å; S170-N177 PolarHBondContact OG-N 2.97Å; S170-N177 PolarHBondContact OG-ND2 3.28Å; S175-N177 VanDerWaalsContact O-CG 3.29Å; S175-N177 PolarHBondContact O-N 3.25Å; S175-N177 VanDerWaalsContact O-N 3.13Å; S175-N177 PolarHBondContact O-ND2 2.8Å; S175-N177 PolarHBondContact O-OD1 2.85Å
178	N	70.1	Confident	82	Confident	104 Å²	104	38.5 Å²	38.5	56%	0.556	21%	0.205	S	C	*	.			trans	-145.2	116.1	174	-69.8	-62.9	0	0	0	108	K36 R180	K36-N178 CarbonylContact O-C 3.23Å; K36-N178 PolarHBondContact O-N 3.36Å; N178-R180 PolarHBondContact O-N 3.07Å
179	E	75	Confident	81.5	Confident	5 Å²	5	39.2 Å²	39.2	2%	0.023	21%	0.213	C	C	.	.			trans	-58.3	107	170	-165.6	172	-170.2	0	0	108.9	F38 T162 R165 D166 L181 R182	F38-E179 HydrophobicContact CB-CG 4.04Å; F38-E179 HydrophobicContact CD2-CB 4.03Å; F38-E179 HydrophobicContact CD2-CG 4.29Å; T162-E179 VanDerWaalsContact CB-OE2 3.32Å; T162-E179 WeakPolarHBondContact CB-OE2 3.37Å; T162-E179 HydrophobicContact CG2-CB 3.59Å; T162-E179 HydrophobicContact CG2-CG 4.39Å; T162-E179 VanDerWaalsContact CG2-OE2 3.32Å; T162-E179 WeakPolarHBondContact CG2-OE2 3.44Å; T162-E179 PolarHBondContact OG1-OE2 3.01Å; R165-E179 IonicContact CZ-OE2 3.45Å; R165-E179 IonicContact NE-OE1 3.99Å; R165-E179 IonicContact NE-OE2 3.27Å; R165-E179 PolarHBondContact NE-OE2 3.11Å; R165-E179 IonicContact NH2-OE1 3.56Å; R165-E179 IonicContact NH2-OE2 2.79Å; R165-E179 PolarHBondContact NH2-OE2 2.9Å; D166-E179 PolarHBondContact OD1-N 3.37Å; D166-E179 PolarHBondContact OD2-N 2.68Å; D166-E179 VanDerWaalsContact OD2-N 3.08Å; E179-L181 WeakPolarHBondContact CG-O 3.44Å; E179-R182 WeakPolarHBondContact OE1-CD 3.29Å; E179-R182 IonicContact OE1-CZ 3.18Å; E179-R182 IonicContact OE1-NE 2.75Å; E179-R182 IonicContact OE1-NH1 3.45Å; E179-R182 PolarHBondContact OE1-NH1 3.27Å
180	R	74.5	Confident	81.2	Confident	99 Å²	99	40.5 Å²	40.5	37%	0.374	22%	0.222	S	C	.	.			trans	-76.6	-45.6	175.4	-178.4	-170.9	-179.3	143.5	-12.2	112.1	L37 P145 N178 A221	L37-R180 HydrophobicContact CD1-CB 4.46Å; L37-R180 HydrophobicContact CD2-CB 3.61Å; L37-R180 HydrophobicContact CG-CB 4.18Å; P145-R180 WeakPolarHBondContact CD-O 3.34Å; N178-R180 PolarHBondContact O-N 3.07Å; R180-A221 PolarHBondContact NH1-O 2.72Å; R180-A221 PolarHBondContact NH2-O 3.29Å; R180-A221 VanDerWaalsContact NH2-O 3.11Å
181	L	79.3	Confident	80.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-131.6	140.9	178.3	-69.4	171.5	0	0	0	108.5	L37 Y123 I142 D144 E179 Y183 T217	L37-L181 HydrophobicContact CD2-CB 4.45Å; Y123-L181 HydrophobicContact CD2-CD1 3.49Å; Y123-L181 VanDerWaalsContact CD2-CD1 3.49Å; Y123-L181 HydrophobicContact CD2-CD2 3.95Å; Y123-L181 HydrophobicContact CD2-CG 4.33Å; Y123-L181 HydrophobicContact CE2-CD1 3.63Å; Y123-L181 HydrophobicContact CE2-CD2 4.36Å; Y123-L181 HydrophobicContact CE2-CG 4.46Å; Y123-L181 HydrophobicContact CG-CD1 3.94Å; I142-L181 HydrophobicContact CG2-CB 4.31Å; I142-L181 HydrophobicContact CG2-CD1 4.17Å; I142-L181 HydrophobicContact CG2-CD2 4.06Å; I142-L181 HydrophobicContact CG2-CG 4.41Å; D144-L181 HydrophobicContact CB-CD2 4.21Å; E179-L181 WeakPolarHBondContact CG-O 3.44Å; L181-Y183 HydrophobicContact CB-CD2 4.23Å; L181-Y183 HydrophobicContact CB-CE2 3.41Å; L181-Y183 VanDerWaalsContact CB-CE2 3.41Å; L181-Y183 HydrophobicContact CD1-CE2 4.42Å; L181-Y183 VanDerWaalsContact CD1-OH 3.24Å; L181-Y183 WeakPolarHBondContact CD1-OH 3.16Å; L181-T217 HydrophobicContact CD1-CG2 3.87Å
182	R	86.1	Confident	80.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.3	174.6	169.6	69.6	176.3	-179.8	-13.9	108.9	F38 H40 Y80 D85 L143 P145 L158 R165 E179 I184	F38-R182 PolarHBondContact O-NH1 3.26Å; H40-R182 PolarHBondContact CD2-NH1 2.79Å; H40-R182 VanDerWaalsContact CD2-NH1 3.26Å; H40-R182 PolarHBondContact CD2-NH2 2.76Å; Y80-R182 PolarHBondContact OH-NE 3.4Å; Y80-R182 PolarHBondContact OH-NH2 3.11Å; D85-R182 IonicContact OD1-NH2 2.68Å; D85-R182 PolarHBondContact OD1-NH2 3.4Å; L143-R182 HydrophobicContact CB-CB 3.97Å; L143-R182 HydrophobicContact CB-CG 4.29Å; L143-R182 HydrophobicContact CD1-CG 4.07Å; L143-R182 PolarHBondContact N-O 3.35Å; L143-R182 PolarHBondContact O-N 2.86Å; P145-R182 HydrophobicContact CG-CB 4.07Å; L158-R182 HydrophobicContact CD1-CB 4.48Å; L158-R182 HydrophobicContact CD1-CG 4.05Å; R165-R182 VanDerWaalsContact CZ-CZ 3.45Å; R165-R182 VanDerWaalsContact NH2-CZ 3.33Å; E179-R182 WeakPolarHBondContact OE1-CD 3.29Å; E179-R182 IonicContact OE1-CZ 3.18Å; E179-R182 IonicContact OE1-NE 2.75Å; E179-R182 IonicContact OE1-NH1 3.45Å; E179-R182 PolarHBondContact OE1-NH1 3.27Å; R182-I184 HydrophobicContact CG-CG1 4.23Å
183	Y	88.2	Confident	80.5	Confident	6 Å²	6	48.3 Å²	48.3	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.4	176.5	-57.3	-101.2	0	0	0	110	H40 M140 L141 I142 L181 Y214 T217 E218	H40-Y183 PolarHBondContact N-O 3.16Å; M140-Y183 HydrophobicContact SD-CD1 4.28Å; L141-Y183 WeakPolarHBondContact O-CA 3.35Å; I142-Y183 HydrophobicContact CD1-CD1 4.22Å; I142-Y183 HydrophobicContact CD1-CE1 3.77Å; I142-Y183 HydrophobicContact CG1-CD1 3.81Å; I142-Y183 HydrophobicContact CG1-CE1 3.83Å; I142-Y183 HydrophobicContact CG2-CD1 4.44Å; I142-Y183 HydrophobicContact CG2-CE1 4.08Å; L181-Y183 HydrophobicContact CB-CD2 4.23Å; L181-Y183 HydrophobicContact CB-CE2 3.41Å; L181-Y183 VanDerWaalsContact CB-CE2 3.41Å; L181-Y183 HydrophobicContact CD1-CE2 4.42Å; L181-Y183 VanDerWaalsContact CD1-OH 3.24Å; L181-Y183 WeakPolarHBondContact CD1-OH 3.16Å; Y183-Y214 AromaticContact CD1-CD2 3.59Å; Y183-Y214 HydrophobicContact CD1-CD2 3.59Å; Y183-Y214 HydrophobicContact CD1-CE2 4.22Å; Y183-Y214 AromaticContact CD2-CD2 3.57Å; Y183-Y214 HydrophobicContact CD2-CD2 3.57Å; Y183-Y214 AromaticContact CD2-CE2 3.3Å; Y183-Y214 HydrophobicContact CD2-CE2 3.3Å; Y183-Y214 AromaticContact CE1-CD2 3.66Å; Y183-Y214 HydrophobicContact CE1-CD2 3.66Å; Y183-Y214 HydrophobicContact CE1-CE2 4.31Å; Y183-Y214 AromaticContact CE2-CD2 3.66Å; Y183-Y214 HydrophobicContact CE2-CD2 3.66Å; Y183-Y214 AromaticContact CE2-CE2 3.43Å; Y183-Y214 HydrophobicContact CE2-CE2 3.43Å; Y183-Y214 VanDerWaalsContact CE2-CE2 3.43Å; Y183-Y214 AromaticContact CG-CD2 3.51Å; Y183-Y214 HydrophobicContact CG-CD2 3.51Å; Y183-Y214 AromaticContact CG-CE2 3.71Å; Y183-Y214 HydrophobicContact CG-CE2 3.71Å; Y183-Y214 AromaticContact CZ-CD2 3.66Å; Y183-Y214 AromaticContact CZ-CE2 3.91Å; Y183-T217 HydrophobicContact CE1-CG2 4.07Å; Y183-T217 WeakPolarHBondContact OH-CB 3.27Å; Y183-T217 WeakPolarHBondContact OH-CG2 3.42Å; Y183-E218 VanDerWaalsContact CE2-CD 3.44Å; Y183-E218 HydrophobicContact CE2-CG 4.3Å; Y183-E218 WeakPolarHBondContact CE2-OE1 3.37Å; Y183-E218 PolarHBondContact OH-OE2 3.27Å
184	I	89.2	Confident	80.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.1	174.3	-55.5	179.5	0	0	0	107.7	L77 Y80 Y111 M140 L141 L143 R182 L186	L77-I184 HydrophobicContact CD1-CD1 4.2Å; L77-I184 HydrophobicContact CD1-CG2 4.27Å; Y80-I184 HydrophobicContact CD1-CD1 4.09Å; Y80-I184 HydrophobicContact CD1-CG2 3.81Å; Y80-I184 HydrophobicContact CD2-CG2 3.83Å; Y80-I184 HydrophobicContact CE1-CB 4.4Å; Y80-I184 HydrophobicContact CE1-CD1 3.58Å; Y80-I184 HydrophobicContact CE1-CG1 3.79Å; Y80-I184 HydrophobicContact CE1-CG2 3.8Å; Y80-I184 HydrophobicContact CE2-CG2 3.78Å; Y80-I184 HydrophobicContact CG-CG2 3.83Å; Y111-I184 HydrophobicContact CD2-CD1 3.62Å; Y111-I184 HydrophobicContact CE2-CD1 4.02Å; M140-I184 WeakPolarHBondContact CA-O 3.42Å; L141-I184 HydrophobicContact CB-CB 4.16Å; L141-I184 PolarHBondContact N-O 2.77Å; L141-I184 PolarHBondContact O-N 3.02Å; L143-I184 HydrophobicContact CD1-CD1 3.51Å; L143-I184 HydrophobicContact CD1-CG1 4.2Å; R182-I184 HydrophobicContact CG-CG1 4.23Å; I184-L186 HydrophobicContact CG2-CD1 4.36Å; I184-L186 HydrophobicContact CG2-CD2 3.61Å; I184-L186 HydrophobicContact CG2-CG 3.87Å
185	R	89	Confident	80.9	Confident	18 Å²	18	42.5 Å²	42.5	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.1	172.8	-174.7	176.4	71.1	-160.3	3.9	110.2	H40 K42 V139 F206 S210 T211	H40-R185 PolarHBondContact O-N 3.1Å; K42-R185 PolarHBondContact N-O 2.95Å; V139-R185 WeakPolarHBondContact O-CA 3.31Å; R185-F206 HydrophobicContact CG-CE1 3.97Å; R185-F206 HydrophobicContact CG-CZ 3.55Å; R185-S210 VanDerWaalsContact CD-OG 3.31Å; R185-S210 WeakPolarHBondContact CD-OG 3.42Å; R185-T211 PolarHBondContact NH1-OG1 3.27Å
186	L	89.8	Confident	81.7	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.7	176.5	-44	171.7	0	0	0	110.4	V73 E76 L77 Y80 G138 V139 I184 F206	V73-L186 HydrophobicContact CG1-CD1 4.42Å; E76-L186 HydrophobicContact CB-CB 4.33Å; E76-L186 HydrophobicContact CB-CD1 4.11Å; L77-L186 HydrophobicContact CB-CD1 3.87Å; L77-L186 HydrophobicContact CD1-CD1 4.12Å; Y80-L186 VanDerWaalsContact CB-CD2 3.49Å; Y80-L186 HydrophobicContact CD2-CD2 3.78Å; Y80-L186 HydrophobicContact CG-CD2 3.81Å; G138-L186 CarbonylContact C-O 3.43Å; G138-L186 VanDerWaalsContact CA-O 3.23Å; G138-L186 WeakPolarHBondContact CA-O 3.36Å; V139-L186 HydrophobicContact CG1-CB 3.56Å; V139-L186 HydrophobicContact CG1-CD1 3.71Å; V139-L186 HydrophobicContact CG1-CG 3.87Å; V139-L186 PolarHBondContact N-O 3.39Å; V139-L186 PolarHBondContact O-N 3.38Å; I184-L186 HydrophobicContact CG2-CD1 4.36Å; I184-L186 HydrophobicContact CG2-CD2 3.61Å; I184-L186 HydrophobicContact CG2-CG 3.87Å; L186-F206 VanDerWaalsContact O-CZ 3.29Å; L186-F206 WeakPolarHBondContact O-CZ 3.46Å
187	H	87.3	Confident	82.7	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.6	179.2	171.3	-109.7	0	0	0	108.5	Y47 Y137 G189 M203 F206	Y47-H187 AromaticContact CZ-CE1 3.99Å; Y47-H187 PolarHBondContact OH-CE1 3.48Å; Y137-H187 AromaticContact CE1-CD2 3.63Å; Y137-H187 AromaticContact CE1-NE2 3.71Å; Y137-H187 AromaticContact CE2-NE2 3.55Å; Y137-H187 AromaticContact CZ-CD2 3.66Å; Y137-H187 AromaticContact CZ-NE2 3.21Å; Y137-H187 PolarHBondContact O-CD2 3.48Å; Y137-H187 PolarHBondContact OH-NE2 3.49Å; H187-G189 WeakPolarHBondContact CE1-CA 3.46Å; H187-G189 PolarHBondContact CE1-N 3Å; H187-G189 VanDerWaalsContact CE1-N 3.34Å; H187-G189 WeakPolarHBondContact NE2-CA 3.36Å; H187-G189 PolarHBondContact NE2-N 2.91Å; H187-M203 WeakPolarHBondContact CE1-CE 3.25Å; H187-M203 VanDerWaalsContact NE2-CE 3.26Å; H187-M203 WeakPolarHBondContact NE2-CE 3.5Å; H187-F206 HydrophobicContact CB-CE1 4.06Å
188	N	83.8	Confident	83.6	Confident	82 Å²	82	51.5 Å²	51.5	44%	0.439	27%	0.27	S	S	.	.			trans	-90	-20.3	-177.4	-165.9	25.2	0	0	0	112.2	E76 L136 Y137	E76-N188 HydrophobicContact CG-CB 4.48Å; L136-N188 WeakPolarHBondContact O-CB 3.07Å; L136-N188 PolarHBondContact O-ND2 3.45Å; L136-N188 VanDerWaalsContact O-ND2 3.11Å; Y137-N188 PolarHBondContact O-N 3.38Å
189	G	79.1	Confident	84.3	Confident	17 Å²	17	48.5 Å²	48.5	18%	0.175	25%	0.251	C	S	.	.			trans	82.2	148.9	-170.3	0	0	0	0	0	112	H187	H187-G189 WeakPolarHBondContact CE1-CA 3.46Å; H187-G189 PolarHBondContact CE1-N 3Å; H187-G189 VanDerWaalsContact CE1-N 3.34Å; H187-G189 WeakPolarHBondContact NE2-CA 3.36Å; H187-G189 PolarHBondContact NE2-N 2.91Å
190	P	81.2	Confident	84.7	Confident	27 Å²	27	50.4 Å²	50.4	18%	0.175	26%	0.262	C	S	.	.			trans	-81	169.7	176.4	31.5	-30.1	0	0	0	112.2	Y137 K192 L194 K199 M202	Y137-P190 HydrophobicContact CD2-CB 4.13Å; Y137-P190 HydrophobicContact CE2-CB 3.84Å; Y137-P190 HydrophobicContact CE2-CG 3.95Å; P190-K192 PolarHBondContact O-N 3.29Å; P190-L194 HydrophobicContact CB-CD1 3.85Å; P190-K199 HydrophobicContact CB-CG 4.3Å; P190-K199 HydrophobicContact CG-CB 3.8Å; P190-K199 HydrophobicContact CG-CD 3.79Å; P190-K199 HydrophobicContact CG-CG 3.42Å; P190-K199 VanDerWaalsContact CG-CG 3.42Å; P190-M202 HydrophobicContact CB-CE 4.12Å; P190-M202 HydrophobicContact CB-SD 4.17Å
191	D	80.3	Confident	85.3	Confident	61 Å²	61	47 Å²	47	33%	0.326	25%	0.251	S	S	.	.			trans	-51.3	136.8	170.1	-177.5	-5.8	0	0	0	110.7	S193 L194 K199	D191-S193 PolarHBondContact O-N 3.19Å; D191-S193 PolarHBondContact OD1-N 3.22Å; D191-S193 PolarHBondContact OD1-OG 3.4Å; D191-S193 WeakPolarHBondContact OD2-CB 3.1Å; D191-S193 PolarHBondContact OD2-OG 3.49Å; D191-L194 HydrophobicContact CB-CG 4.4Å; D191-L194 PolarHBondContact O-N 3.5Å; D191-L194 VanDerWaalsContact O-N 3.17Å; D191-K199 WeakPolarHBondContact O-CE 3.45Å
192	K	83.6	Confident	85.7	Confident	193 Å²	193	46.9 Å²	46.9	84%	0.839	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29	174.4	-67.5	-177.9	-179.9	176	0	112.1	P190 L194 K199	P190-K192 PolarHBondContact O-N 3.29Å; K192-L194 VanDerWaalsContact C-N 3.27Å; K192-L194 PolarHBondContact O-N 3.47Å; K192-K199 PolarHBondContact O-NZ 3.45Å
193	S	87.3	Confident	85.7	Confident	90 Å²	90	46.9 Å²	46.9	63%	0.629	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.4	178.9	76.9	0	0	0	0	114.1	D191	D191-S193 PolarHBondContact O-N 3.19Å; D191-S193 PolarHBondContact OD1-N 3.22Å; D191-S193 PolarHBondContact OD1-OG 3.4Å; D191-S193 WeakPolarHBondContact OD2-CB 3.1Å; D191-S193 PolarHBondContact OD2-OG 3.49Å
194	L	84.9	Confident	85.4	Confident	31 Å²	31	48.6 Å²	48.6	16%	0.162	26%	0.257	C	S	.	.	S	Bend	trans	-69.3	144.4	180	-62.1	-175	0	0	0	111.9	P190 D191 K192 I198 K199 M202	P190-L194 HydrophobicContact CB-CD1 3.85Å; D191-L194 HydrophobicContact CB-CG 4.4Å; D191-L194 PolarHBondContact O-N 3.5Å; D191-L194 VanDerWaalsContact O-N 3.17Å; K192-L194 VanDerWaalsContact C-N 3.27Å; K192-L194 PolarHBondContact O-N 3.47Å; L194-I198 HydrophobicContact CB-CG2 4.37Å; L194-I198 HydrophobicContact CD1-CG2 3.97Å; L194-K199 HydrophobicContact CB-CG 4.06Å; L194-K199 WeakPolarHBondContact O-CE 3.49Å; L194-K199 PolarHBondContact O-NZ 3.1Å; L194-M202 HydrophobicContact CD1-CE 4.24Å; L194-M202 HydrophobicContact CD1-SD 3.61Å
195	S	87.4	Confident	85.4	Confident	67 Å²	67	49.7 Å²	49.7	47%	0.469	26%	0.262	S	S	.	.			trans	-64.7	149	174.7	75.4	0	0	0	0	110.9	L197 I198 K199	S195-L197 PolarHBondContact O-N 2.7Å; S195-I198 PolarHBondContact O-N 2.87Å; S195-I198 VanDerWaalsContact OG-CG1 3.25Å; S195-I198 WeakPolarHBondContact OG-CG1 3.09Å; S195-I198 PolarHBondContact OG-N 3.15Å; S195-K199 WeakPolarHBondContact O-CG 3.01Å; S195-K199 PolarHBondContact O-N 2.74Å
196	E	86.8	Confident	85.4	Confident	112 Å²	112	48.9 Å²	48.9	52%	0.523	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-32.7	-177.7	-162.5	58.5	-154.7	0	0	112.7	K199 N200	E196-K199 PolarHBondContact O-N 3.18Å; E196-N200 WeakPolarHBondContact O-CB 3.35Å; E196-N200 VanDerWaalsContact O-CG 3.32Å; E196-N200 PolarHBondContact O-N 3.39Å; E196-N200 PolarHBondContact O-ND2 3.15Å; E196-N200 VanDerWaalsContact O-ND2 3.12Å
197	L	86.7	Confident	85.2	Confident	114 Å²	114	49.1 Å²	49.1	60%	0.597	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-48.4	173.1	178.9	61.5	0	0	0	111.4	S195 N200 L201	S195-L197 PolarHBondContact O-N 2.7Å; L197-N200 PolarHBondContact O-N 3.43Å; L197-L201 HydrophobicContact CD1-CD1 4.22Å; L197-L201 HydrophobicContact CD1-CG 4.39Å; L197-L201 HydrophobicContact CG-CD1 4.1Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 2.9Å; L197-L201 PolarHBondContact O-N 3.22Å
198	I	85.8	Confident	85	Confident	41 Å²	41	51.7 Å²	51.7	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-42.5	179.9	-62.8	-71.2	0	0	0	110.5	F59 L194 S195 N200 L201 M202	F59-I198 HydrophobicContact CD1-CD1 3.94Å; F59-I198 HydrophobicContact CD1-CG2 4.16Å; F59-I198 HydrophobicContact CE1-CD1 3.26Å; F59-I198 HydrophobicContact CZ-CD1 3.78Å; L194-I198 HydrophobicContact CB-CG2 4.37Å; L194-I198 HydrophobicContact CD1-CG2 3.97Å; S195-I198 PolarHBondContact O-N 2.87Å; S195-I198 VanDerWaalsContact OG-CG1 3.25Å; S195-I198 WeakPolarHBondContact OG-CG1 3.09Å; S195-I198 PolarHBondContact OG-N 3.15Å; I198-N200 VanDerWaalsContact C-N 3.3Å; I198-N200 PolarHBondContact O-N 3.06Å; I198-L201 PolarHBondContact O-N 2.91Å; I198-M202 HydrophobicContact CG2-CG 4.31Å; I198-M202 HydrophobicContact CG2-SD 3.73Å; I198-M202 WeakPolarHBondContact O-CB 3.39Å; I198-M202 VanDerWaalsContact O-CG 3.27Å; I198-M202 WeakPolarHBondContact O-CG 3.34Å; I198-M202 PolarHBondContact O-N 3.15Å
199	K	85.5	Confident	85.2	Confident	40 Å²	40	50.4 Å²	50.4	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-42.6	176.6	-60	-174.5	173.4	136.3	0	111.9	P190 D191 K192 L194 S195 E196 M203	P190-K199 HydrophobicContact CB-CG 4.3Å; P190-K199 HydrophobicContact CG-CB 3.8Å; P190-K199 HydrophobicContact CG-CD 3.79Å; P190-K199 HydrophobicContact CG-CG 3.42Å; P190-K199 VanDerWaalsContact CG-CG 3.42Å; D191-K199 WeakPolarHBondContact O-CE 3.45Å; K192-K199 PolarHBondContact O-NZ 3.45Å; L194-K199 HydrophobicContact CB-CG 4.06Å; L194-K199 WeakPolarHBondContact O-CE 3.49Å; L194-K199 PolarHBondContact O-NZ 3.1Å; S195-K199 WeakPolarHBondContact O-CG 3.01Å; S195-K199 PolarHBondContact O-N 2.74Å; E196-K199 PolarHBondContact O-N 3.18Å; K199-M203 WeakPolarHBondContact O-CB 3.32Å; K199-M203 PolarHBondContact O-N 2.64Å
200	N	83.5	Confident	85.6	Confident	46 Å²	46	49.6 Å²	49.6	25%	0.246	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-40.8	177	-74.7	-34.6	0	0	0	112.6	E196 L197 I198 M203 R204	E196-N200 WeakPolarHBondContact O-CB 3.35Å; E196-N200 VanDerWaalsContact O-CG 3.32Å; E196-N200 PolarHBondContact O-N 3.39Å; E196-N200 PolarHBondContact O-ND2 3.15Å; E196-N200 VanDerWaalsContact O-ND2 3.12Å; L197-N200 PolarHBondContact O-N 3.43Å; I198-N200 VanDerWaalsContact C-N 3.3Å; I198-N200 PolarHBondContact O-N 3.06Å; N200-M203 PolarHBondContact O-N 3.44Å; N200-R204 WeakPolarHBondContact O-CB 3.43Å; N200-R204 PolarHBondContact O-N 2.79Å
201	L	86	Confident	85.8	Confident	26 Å²	26	48.7 Å²	48.7	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-42	176.7	-70	172.1	0	0	0	111.9	D54 F59 L197 I198 M203 R204 Q205	D54-L201 WeakPolarHBondContact O-CD2 3.4Å; F59-L201 HydrophobicContact CD2-CB 3.9Å; F59-L201 HydrophobicContact CE2-CB 3.75Å; F59-L201 HydrophobicContact CE2-CD1 3.66Å; F59-L201 HydrophobicContact CE2-CG 4.28Å; F59-L201 HydrophobicContact CZ-CD1 3.82Å; L197-L201 HydrophobicContact CD1-CD1 4.22Å; L197-L201 HydrophobicContact CD1-CG 4.39Å; L197-L201 HydrophobicContact CG-CD1 4.1Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 2.9Å; L197-L201 PolarHBondContact O-N 3.22Å; I198-L201 PolarHBondContact O-N 2.91Å; L201-M203 VanDerWaalsContact C-N 3.35Å; L201-M203 PolarHBondContact O-N 2.78Å; L201-R204 PolarHBondContact O-N 3.03Å; L201-Q205 WeakPolarHBondContact O-CB 3.21Å; L201-Q205 PolarHBondContact O-N 3.24Å
202	M	88.4	Confident	86	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-43.5	173.5	-70	168.1	79.3	0	0	111.5	F59 L60 Q130 Y137 P190 L194 I198 R204 Q205 F206	F59-M202 HydrophobicContact CB-CG 3.44Å; F59-M202 VanDerWaalsContact CB-CG 3.44Å; F59-M202 HydrophobicContact CB-SD 4.47Å; F59-M202 HydrophobicContact CG-CG 4.18Å; L60-M202 HydrophobicContact CD1-CB 4.31Å; L60-M202 VanDerWaalsContact CD1-O 3.31Å; L60-M202 WeakPolarHBondContact CD1-O 3.43Å; L60-M202 HydrophobicContact CD2-CB 4.44Å; L60-M202 HydrophobicContact CD2-CE 3.5Å; L60-M202 VanDerWaalsContact CD2-CE 3.5Å; L60-M202 HydrophobicContact CD2-CG 4.33Å; L60-M202 HydrophobicContact CG-CB 4.29Å; L60-M202 HydrophobicContact CG-CE 4.45Å; L60-M202 HydrophobicContact CG-CG 4.33Å; Q130-M202 HydrophobicContact CB-CE 3.89Å; Q130-M202 HydrophobicContact CG-CE 3.5Å; Q130-M202 VanDerWaalsContact CG-CE 3.5Å; Y137-M202 HydrophobicContact CD2-CB 4.49Å; Y137-M202 HydrophobicContact CD2-CE 3.59Å; Y137-M202 HydrophobicContact CE1-CB 4.23Å; Y137-M202 HydrophobicContact CE2-CB 3.81Å; Y137-M202 HydrophobicContact CE2-CE 3.88Å; Y137-M202 HydrophobicContact CE2-SD 4.49Å; Y137-M202 HydrophobicContact CG-CE 4.25Å; P190-M202 HydrophobicContact CB-CE 4.12Å; P190-M202 HydrophobicContact CB-SD 4.17Å; L194-M202 HydrophobicContact CD1-CE 4.24Å; L194-M202 HydrophobicContact CD1-SD 3.61Å; I198-M202 HydrophobicContact CG2-CG 4.31Å; I198-M202 HydrophobicContact CG2-SD 3.73Å; I198-M202 WeakPolarHBondContact O-CB 3.39Å; I198-M202 VanDerWaalsContact O-CG 3.27Å; I198-M202 WeakPolarHBondContact O-CG 3.34Å; I198-M202 PolarHBondContact O-N 3.15Å; M202-R204 VanDerWaalsContact C-N 3.33Å; M202-R204 PolarHBondContact O-N 3.47Å; M202-Q205 PolarHBondContact O-N 3.17Å; M202-F206 WeakPolarHBondContact O-CB 3.44Å; M202-F206 PolarHBondContact O-N 3.22Å
203	M	85.2	Confident	86.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-45.3	178.6	177	57.9	72.2	0	0	110.7	L43 Y47 Y137 H187 K199 N200 L201 F206 V207	L43-M203 HydrophobicContact CD2-CE 3.98Å; L43-M203 HydrophobicContact CD2-SD 3.58Å; L43-M203 VanDerWaalsContact CD2-SD 3.58Å; Y47-M203 HydrophobicContact CD1-CE 4.21Å; Y47-M203 HydrophobicContact CD2-CE 3.86Å; Y47-M203 HydrophobicContact CE1-CE 4Å; Y47-M203 HydrophobicContact CE2-CE 3.59Å; Y47-M203 HydrophobicContact CG-CE 4.15Å; Y47-M203 HydrophobicContact CG-CG 4.44Å; Y137-M203 WeakPolarHBondContact OH-CA 3.33Å; Y137-M203 VanDerWaalsContact OH-CB 3.31Å; Y137-M203 WeakPolarHBondContact OH-CB 3.38Å; Y137-M203 PolarHBondContact OH-N 2.93Å; H187-M203 WeakPolarHBondContact CE1-CE 3.25Å; H187-M203 VanDerWaalsContact NE2-CE 3.26Å; H187-M203 WeakPolarHBondContact NE2-CE 3.5Å; K199-M203 WeakPolarHBondContact O-CB 3.32Å; K199-M203 PolarHBondContact O-N 2.64Å; N200-M203 PolarHBondContact O-N 3.44Å; L201-M203 VanDerWaalsContact C-N 3.35Å; L201-M203 PolarHBondContact O-N 2.78Å; M203-F206 PolarHBondContact O-N 3.46Å; M203-F206 HydrophobicContact SD-CD1 4.36Å; M203-V207 HydrophobicContact CG-CG2 4.38Å; M203-V207 WeakPolarHBondContact O-CB 3.29Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.39Å; M203-V207 PolarHBondContact O-N 3.31Å; M203-V207 HydrophobicContact SD-CG2 3.75Å
204	R	83.5	Confident	86.1	Confident	42 Å²	42	37.4 Å²	37.4	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-50	176.5	-177.6	179.8	174.4	175.6	1.6	111.4	I49 H52 N200 L201 M202 F206 V207 E208	I49-R204 HydrophobicContact CD1-CB 4.5Å; H52-R204 PolarHBondContact O-NH1 2.93Å; N200-R204 WeakPolarHBondContact O-CB 3.43Å; N200-R204 PolarHBondContact O-N 2.79Å; L201-R204 PolarHBondContact O-N 3.03Å; M202-R204 VanDerWaalsContact C-N 3.33Å; M202-R204 PolarHBondContact O-N 3.47Å; R204-F206 VanDerWaalsContact C-N 3.35Å; R204-F206 PolarHBondContact O-N 3.05Å; R204-V207 PolarHBondContact O-N 3.29Å; R204-E208 HydrophobicContact CG-CG 4.34Å; R204-E208 WeakPolarHBondContact CG-OE1 3.48Å; R204-E208 IonicContact CZ-OE1 3.51Å; R204-E208 IonicContact NE-OE1 2.86Å; R204-E208 PolarHBondContact NE-OE1 2.9Å; R204-E208 IonicContact NH2-OE1 2.8Å; R204-E208 WeakPolarHBondContact O-CB 3.32Å; R204-E208 WeakPolarHBondContact O-CG 3.32Å; R204-E208 PolarHBondContact O-N 2.97Å
205	Q	87.7	Confident	86.2	Confident	24 Å²	24	36.1 Å²	36.1	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-56.6	-49	177.5	-174.8	-177	-11.1	0	0	111	L60 L201 M202 V207 E208 E209	L60-Q205 HydrophobicContact CD1-CB 4.44Å; L60-Q205 PolarHBondContact O-NE2 2.94Å; L201-Q205 WeakPolarHBondContact O-CB 3.21Å; L201-Q205 PolarHBondContact O-N 3.24Å; M202-Q205 PolarHBondContact O-N 3.17Å; Q205-V207 PolarHBondContact O-N 2.6Å; Q205-E208 PolarHBondContact O-N 3.47Å; Q205-E209 HydrophobicContact CG-CG 4.4Å; Q205-E209 VanDerWaalsContact CG-OE1 3.22Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.48Å; Q205-E209 PolarHBondContact NE2-OE1 2.84Å; Q205-E209 WeakPolarHBondContact O-CB 3.37Å; Q205-E209 WeakPolarHBondContact O-CG 3.16Å; Q205-E209 PolarHBondContact O-N 2.58Å
206	F	88.8	Confident	86.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-46.6	178.2	171.9	-116.6	0	0	0	112.8	L60 W128 Y137 R185 L186 H187 M202 M203 R204 S210	L60-F206 HydrophobicContact CD1-CB 3.74Å; W128-F206 HydrophobicContact CB-CD2 4.09Å; W128-F206 AromaticContact CD2-CD2 3.69Å; W128-F206 HydrophobicContact CD2-CD2 3.69Å; W128-F206 AromaticContact CD2-CE2 3.9Å; W128-F206 HydrophobicContact CD2-CE2 3.9Å; W128-F206 AromaticContact CE3-CD2 3.93Å; W128-F206 HydrophobicContact CE3-CD2 3.93Å; W128-F206 AromaticContact CE3-CE2 3.62Å; W128-F206 HydrophobicContact CE3-CE2 3.62Å; W128-F206 AromaticContact CG-CD2 3.76Å; W128-F206 HydrophobicContact CG-CD2 3.76Å; W128-F206 HydrophobicContact CG-CE2 4.33Å; W128-F206 HydrophobicContact CZ3-CE2 4.13Å; Y137-F206 HydrophobicContact CD1-CB 3.88Å; Y137-F206 HydrophobicContact CD1-CD2 4.43Å; Y137-F206 HydrophobicContact CD1-CG 4.04Å; Y137-F206 HydrophobicContact CE1-CB 3.51Å; Y137-F206 HydrophobicContact CE1-CD1 4.12Å; Y137-F206 AromaticContact CE1-CG 3.88Å; Y137-F206 HydrophobicContact CE1-CG 3.88Å; R185-F206 HydrophobicContact CG-CE1 3.97Å; R185-F206 HydrophobicContact CG-CZ 3.55Å; L186-F206 VanDerWaalsContact O-CZ 3.29Å; L186-F206 WeakPolarHBondContact O-CZ 3.46Å; H187-F206 HydrophobicContact CB-CE1 4.06Å; M202-F206 WeakPolarHBondContact O-CB 3.44Å; M202-F206 PolarHBondContact O-N 3.22Å; M203-F206 PolarHBondContact O-N 3.46Å; M203-F206 HydrophobicContact SD-CD1 4.36Å; R204-F206 VanDerWaalsContact C-N 3.35Å; R204-F206 PolarHBondContact O-N 3.05Å; F206-S210 WeakPolarHBondContact O-CB 3.47Å; F206-S210 PolarHBondContact O-N 3.48Å; F206-S210 PolarHBondContact O-OG 3.02Å
207	V	85.3	Confident	86	Confident	8 Å²	8	29 Å²	29	5%	0.048	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-43.9	180	170.7	0	0	0	0	110.9	L43 M203 R204 Q205 S210 T211	L43-V207 HydrophobicContact CD1-CG2 4.47Å; L43-V207 HydrophobicContact CD2-CG2 4.36Å; M203-V207 HydrophobicContact CG-CG2 4.38Å; M203-V207 WeakPolarHBondContact O-CB 3.29Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.39Å; M203-V207 PolarHBondContact O-N 3.31Å; M203-V207 HydrophobicContact SD-CG2 3.75Å; R204-V207 PolarHBondContact O-N 3.29Å; Q205-V207 PolarHBondContact O-N 2.6Å; V207-S210 PolarHBondContact O-OG 3.4Å; V207-T211 WeakPolarHBondContact O-CB 3.15Å; V207-T211 PolarHBondContact O-N 2.81Å; V207-T211 PolarHBondContact O-OG1 3.08Å
208	E	84.3	Confident	85.7	Confident	63 Å²	63	23.6 Å²	23.6	29%	0.294	12%	0.116	S	C	.	.	H	α-helix	trans	-63.4	-52.3	178.6	-73.7	-179.5	-171.7	0	0	111.4	R204 Q205 T211 Q212	R204-E208 HydrophobicContact CG-CG 4.34Å; R204-E208 WeakPolarHBondContact CG-OE1 3.48Å; R204-E208 IonicContact CZ-OE1 3.51Å; R204-E208 IonicContact NE-OE1 2.86Å; R204-E208 PolarHBondContact NE-OE1 2.9Å; R204-E208 IonicContact NH2-OE1 2.8Å; R204-E208 WeakPolarHBondContact O-CB 3.32Å; R204-E208 WeakPolarHBondContact O-CG 3.32Å; R204-E208 PolarHBondContact O-N 2.97Å; Q205-E208 PolarHBondContact O-N 3.47Å; E208-T211 PolarHBondContact O-N 2.78Å; E208-Q212 WeakPolarHBondContact O-CB 3.46Å; E208-Q212 PolarHBondContact O-N 2.92Å
209	E	88.3	Confident	85.5	Confident	55 Å²	55	25.1 Å²	25.1	26%	0.257	12%	0.119	S	C	.	.	H	α-helix	trans	-65.1	-46.1	-178.7	-72.5	-177.1	-158.1	0	0	112.2	W128 Q205 T211 Q212 L213	W128-E209 HydrophobicContact CZ2-CB 4.15Å; W128-E209 PolarHBondContact NE1-OE2 3.2Å; Q205-E209 HydrophobicContact CG-CG 4.4Å; Q205-E209 VanDerWaalsContact CG-OE1 3.22Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.48Å; Q205-E209 PolarHBondContact NE2-OE1 2.84Å; Q205-E209 WeakPolarHBondContact O-CB 3.37Å; Q205-E209 WeakPolarHBondContact O-CG 3.16Å; Q205-E209 PolarHBondContact O-N 2.58Å; E209-T211 PolarHBondContact O-N 3.37Å; E209-Q212 PolarHBondContact O-N 3.34Å; E209-L213 WeakPolarHBondContact O-CB 3.33Å; E209-L213 PolarHBondContact O-N 2.97Å
210	S	87.2	Confident	85.4	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-38	179.3	63.6	0	0	0	0	112.1	R185 F206 V207 L213 Y214	R185-S210 VanDerWaalsContact CD-OG 3.31Å; R185-S210 WeakPolarHBondContact CD-OG 3.42Å; F206-S210 WeakPolarHBondContact O-CB 3.47Å; F206-S210 PolarHBondContact O-N 3.48Å; F206-S210 PolarHBondContact O-OG 3.02Å; V207-S210 PolarHBondContact O-OG 3.4Å; S210-L213 PolarHBondContact O-N 3.09Å; S210-Y214 VanDerWaalsContact O-CB 3.25Å; S210-Y214 WeakPolarHBondContact O-CB 3.1Å; S210-Y214 PolarHBondContact O-N 3.07Å
211	T	85.1	Confident	85.1	Confident	8 Å²	8	29.4 Å²	29.4	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-44.1	175.9	-57.1	0	0	0	0	110.5	R185 V207 E208 E209 L213 Y214 L215 T242	R185-T211 PolarHBondContact NH1-OG1 3.27Å; V207-T211 WeakPolarHBondContact O-CB 3.15Å; V207-T211 PolarHBondContact O-N 2.81Å; V207-T211 PolarHBondContact O-OG1 3.08Å; E208-T211 PolarHBondContact O-N 2.78Å; E209-T211 PolarHBondContact O-N 3.37Å; T211-L213 VanDerWaalsContact C-N 3.35Å; T211-L213 PolarHBondContact O-N 3.5Å; T211-Y214 WeakPolarHBondContact O-CB 3.34Å; T211-Y214 PolarHBondContact O-N 3.25Å; T211-L215 HydrophobicContact CG2-CD1 3.96Å; T211-L215 HydrophobicContact CG2-CG 4.21Å; T211-L215 VanDerWaalsContact O-CG 3.25Å; T211-L215 WeakPolarHBondContact O-CG 3.4Å; T211-L215 PolarHBondContact O-N 3.21Å; T211-T242 HydrophobicContact CG2-CG2 4.1Å
212	Q	85.3	Confident	84.8	Confident	51 Å²	51	29.9 Å²	29.9	24%	0.238	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-48.2	175.3	-178	-176.3	-12.4	0	0	111	E208 E209 Y214 L215 C216 R278	E208-Q212 WeakPolarHBondContact O-CB 3.46Å; E208-Q212 PolarHBondContact O-N 2.92Å; E209-Q212 PolarHBondContact O-N 3.34Å; Q212-Y214 VanDerWaalsContact C-N 3.34Å; Q212-Y214 PolarHBondContact O-N 3.04Å; Q212-L215 PolarHBondContact O-N 3.27Å; Q212-C216 WeakPolarHBondContact O-CB 3.39Å; Q212-C216 PolarHBondContact O-N 2.96Å; Q212-C216 PolarHBondContact O-SG 3.42Å; Q212-R278 VanDerWaalsContact NE2-CB 3.34Å
213	L	86.7	Confident	84.4	Confident	41 Å²	41	31.1 Å²	31.1	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-41.2	-177.3	-156	145.5	0	0	0	111.5	Y126 M140 E209 S210 T211 T217	Y126-L213 HydrophobicContact CD1-CD1 4.28Å; Y126-L213 HydrophobicContact CD2-CD1 3.61Å; Y126-L213 HydrophobicContact CD2-CD2 3.6Å; Y126-L213 HydrophobicContact CD2-CG 4.28Å; Y126-L213 HydrophobicContact CE1-CD1 4.2Å; Y126-L213 HydrophobicContact CE2-CD1 3.51Å; Y126-L213 HydrophobicContact CE2-CD2 3.47Å; Y126-L213 VanDerWaalsContact CE2-CD2 3.47Å; Y126-L213 HydrophobicContact CE2-CG 4.11Å; Y126-L213 HydrophobicContact CG-CD1 4Å; M140-L213 HydrophobicContact CE-CB 3.87Å; M140-L213 HydrophobicContact CE-CD2 3.2Å; M140-L213 HydrophobicContact CE-CG 4.05Å; E209-L213 WeakPolarHBondContact O-CB 3.33Å; E209-L213 PolarHBondContact O-N 2.97Å; S210-L213 PolarHBondContact O-N 3.09Å; T211-L213 VanDerWaalsContact C-N 3.35Å; T211-L213 PolarHBondContact O-N 3.5Å; L213-T217 VanDerWaalsContact O-CB 3.32Å; L213-T217 WeakPolarHBondContact O-CB 3.43Å; L213-T217 PolarHBondContact O-N 3.15Å; L213-T217 PolarHBondContact O-OG1 3.01Å
214	Y	86.3	Confident	84.3	Confident	14 Å²	14	35.8 Å²	35.8	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-54	-61.8	170	168.7	-129	0	0	0	111.4	G39 Y183 S210 T211 Q212 C216 T217 E218 V227 F244	G39-Y214 PolarHBondContact N-OH 3.33Å; Y183-Y214 AromaticContact CD1-CD2 3.59Å; Y183-Y214 HydrophobicContact CD1-CD2 3.59Å; Y183-Y214 HydrophobicContact CD1-CE2 4.22Å; Y183-Y214 AromaticContact CD2-CD2 3.57Å; Y183-Y214 HydrophobicContact CD2-CD2 3.57Å; Y183-Y214 AromaticContact CD2-CE2 3.3Å; Y183-Y214 HydrophobicContact CD2-CE2 3.3Å; Y183-Y214 AromaticContact CE1-CD2 3.66Å; Y183-Y214 HydrophobicContact CE1-CD2 3.66Å; Y183-Y214 HydrophobicContact CE1-CE2 4.31Å; Y183-Y214 AromaticContact CE2-CD2 3.66Å; Y183-Y214 HydrophobicContact CE2-CD2 3.66Å; Y183-Y214 AromaticContact CE2-CE2 3.43Å; Y183-Y214 HydrophobicContact CE2-CE2 3.43Å; Y183-Y214 VanDerWaalsContact CE2-CE2 3.43Å; Y183-Y214 AromaticContact CG-CD2 3.51Å; Y183-Y214 HydrophobicContact CG-CD2 3.51Å; Y183-Y214 AromaticContact CG-CE2 3.71Å; Y183-Y214 HydrophobicContact CG-CE2 3.71Å; Y183-Y214 AromaticContact CZ-CD2 3.66Å; Y183-Y214 AromaticContact CZ-CE2 3.91Å; S210-Y214 VanDerWaalsContact O-CB 3.25Å; S210-Y214 WeakPolarHBondContact O-CB 3.1Å; S210-Y214 PolarHBondContact O-N 3.07Å; T211-Y214 WeakPolarHBondContact O-CB 3.34Å; T211-Y214 PolarHBondContact O-N 3.25Å; Q212-Y214 VanDerWaalsContact C-N 3.34Å; Q212-Y214 PolarHBondContact O-N 3.04Å; Y214-C216 VanDerWaalsContact C-N 3.31Å; Y214-C216 PolarHBondContact O-N 3.25Å; Y214-T217 WeakPolarHBondContact O-CB 3.27Å; Y214-T217 PolarHBondContact O-N 2.01Å; Y214-E218 HydrophobicContact CD2-CG 3.91Å; Y214-E218 HydrophobicContact CE2-CG 3.64Å; Y214-E218 WeakPolarHBondContact CE2-OE1 3.25Å; Y214-E218 VanDerWaalsContact O-CG 3.31Å; Y214-E218 WeakPolarHBondContact O-CG 3.34Å; Y214-E218 PolarHBondContact O-N 2.88Å; Y214-V227 HydrophobicContact CE1-CG1 3.91Å; Y214-V227 WeakPolarHBondContact OH-CG1 3.25Å; Y214-F244 HydrophobicContact CE1-CZ 4.28Å
215	L	86.3	Confident	84.3	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-37.3	-175.7	-61.6	-177.7	0	0	0	113	T211 Q212 E218 Y219 F244 I272 D276	T211-L215 HydrophobicContact CG2-CD1 3.96Å; T211-L215 HydrophobicContact CG2-CG 4.21Å; T211-L215 VanDerWaalsContact O-CG 3.25Å; T211-L215 WeakPolarHBondContact O-CG 3.4Å; T211-L215 PolarHBondContact O-N 3.21Å; Q212-L215 PolarHBondContact O-N 3.27Å; L215-E218 PolarHBondContact O-N 3.07Å; L215-Y219 PolarHBondContact O-N 2.92Å; L215-F244 HydrophobicContact CD2-CZ 4.41Å; L215-I272 HydrophobicContact CB-CD1 4.42Å; L215-I272 HydrophobicContact CB-CG2 4.29Å; L215-I272 HydrophobicContact CD1-CD1 4.01Å; L215-I272 HydrophobicContact CD2-CD1 3.31Å; L215-I272 HydrophobicContact CD2-CG1 3.88Å; L215-I272 HydrophobicContact CG-CD1 4.07Å; L215-I272 WeakPolarHBondContact O-CG2 3.49Å; L215-D276 HydrophobicContact CB-CB 4.37Å; L215-D276 HydrophobicContact CD1-CB 4.46Å
216	C	85.9	Confident	84.1	Confident	17 Å²	17	34.8 Å²	34.8	12%	0.115	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-41.7	175.2	-68.1	0	0	0	0	112.4	Q212 Y214 E218 K220 C277	Q212-C216 WeakPolarHBondContact O-CB 3.39Å; Q212-C216 PolarHBondContact O-N 2.96Å; Q212-C216 PolarHBondContact O-SG 3.42Å; Y214-C216 VanDerWaalsContact C-N 3.31Å; Y214-C216 PolarHBondContact O-N 3.25Å; C216-E218 VanDerWaalsContact C-N 3.28Å; C216-E218 PolarHBondContact O-N 2.94Å; C216-K220 WeakPolarHBondContact O-CB 3.4Å; C216-K220 VanDerWaalsContact O-CG 3.28Å; C216-K220 WeakPolarHBondContact O-CG 3.46Å; C216-K220 PolarHBondContact O-N 2.9Å; C216-C277 VanDerWaalsContact CA-SG 3.59Å; C216-C277 WeakPolarHBondContact SG-CA 3.45Å; C216-C277 VanDerWaalsContact SG-SG 3.63Å
217	T	84.5	Confident	83.8	Confident	14 Å²	14	34.8 Å²	34.8	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-44.8	178.1	-60.5	0	0	0	0	109.6	Y123 I142 L181 Y183 L213 Y214 K220 A221	Y123-T217 HydrophobicContact CD1-CG2 3.28Å; Y123-T217 HydrophobicContact CE1-CG2 3.64Å; Y123-T217 HydrophobicContact CG-CG2 3.76Å; I142-T217 HydrophobicContact CD1-CG2 4.23Å; L181-T217 HydrophobicContact CD1-CG2 3.87Å; Y183-T217 HydrophobicContact CE1-CG2 4.07Å; Y183-T217 WeakPolarHBondContact OH-CB 3.27Å; Y183-T217 WeakPolarHBondContact OH-CG2 3.42Å; L213-T217 VanDerWaalsContact O-CB 3.32Å; L213-T217 WeakPolarHBondContact O-CB 3.43Å; L213-T217 PolarHBondContact O-N 3.15Å; L213-T217 PolarHBondContact O-OG1 3.01Å; Y214-T217 WeakPolarHBondContact O-CB 3.27Å; Y214-T217 PolarHBondContact O-N 2.01Å; T217-K220 PolarHBondContact O-N 3.13Å; T217-A221 WeakPolarHBondContact O-CB 3.04Å; T217-A221 PolarHBondContact O-N 2.03Å
218	E	80	Confident	83.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-48.3	178.7	-59.4	-67.9	-144.6	0	0	112.7	L37 Y183 Y214 L215 C216 K220 A221 A222 H225 V227	L37-E218 WeakPolarHBondContact CB-OE1 3.34Å; L37-E218 HydrophobicContact CD1-CB 4.3Å; L37-E218 VanDerWaalsContact CD1-CD 3.41Å; L37-E218 HydrophobicContact CD1-CG 4.34Å; L37-E218 WeakPolarHBondContact CD1-OE2 3.36Å; L37-E218 WeakPolarHBondContact CD2-OE1 3.31Å; L37-E218 VanDerWaalsContact CD2-OE2 3.29Å; L37-E218 WeakPolarHBondContact CD2-OE2 3.33Å; L37-E218 WeakPolarHBondContact CG-OE1 2.91Å; Y183-E218 VanDerWaalsContact CE2-CD 3.44Å; Y183-E218 HydrophobicContact CE2-CG 4.3Å; Y183-E218 WeakPolarHBondContact CE2-OE1 3.37Å; Y183-E218 PolarHBondContact OH-OE2 3.27Å; Y214-E218 HydrophobicContact CD2-CG 3.91Å; Y214-E218 HydrophobicContact CE2-CG 3.64Å; Y214-E218 WeakPolarHBondContact CE2-OE1 3.25Å; Y214-E218 VanDerWaalsContact O-CG 3.31Å; Y214-E218 WeakPolarHBondContact O-CG 3.34Å; Y214-E218 PolarHBondContact O-N 2.88Å; L215-E218 PolarHBondContact O-N 3.07Å; C216-E218 VanDerWaalsContact C-N 3.28Å; C216-E218 PolarHBondContact O-N 2.94Å; E218-K220 VanDerWaalsContact C-N 3.3Å; E218-K220 PolarHBondContact O-N 3.05Å; E218-A221 WeakPolarHBondContact O-CA 3.48Å; E218-A221 WeakPolarHBondContact O-CB 3.44Å; E218-A221 PolarHBondContact O-N 2.71Å; E218-A222 PolarHBondContact O-N 2.8Å; E218-H225 WeakPolarHBondContact CB-NE2 3.13Å; E218-H225 PolarHBondContact O-CE1 2.95Å; E218-H225 VanDerWaalsContact O-CE1 3.24Å; E218-V227 HydrophobicContact CB-CG2 4.32Å; E218-V227 HydrophobicContact CG-CG2 4.23Å
219	Y	82.5	Confident	84	Confident	73 Å²	73	31.4 Å²	31.4	29%	0.286	17%	0.17	S	C	.	.	H	α-helix	trans	-56.8	-45.7	176.7	176.6	-106.7	0	0	0	111.2	L215 A221 A222 G223 V224 A274 C277	L215-Y219 PolarHBondContact O-N 2.92Å; Y219-A221 PolarHBondContact O-N 2.99Å; Y219-A222 PolarHBondContact O-N 3.25Å; Y219-G223 WeakPolarHBondContact CD2-O 3.34Å; Y219-G223 VanDerWaalsContact O-CA 3.25Å; Y219-G223 WeakPolarHBondContact O-CA 3.06Å; Y219-G223 PolarHBondContact O-N 3.13Å; Y219-V224 HydrophobicContact CE2-CG2 4.3Å; Y219-A274 HydrophobicContact CE1-CB 3.89Å; Y219-A274 HydrophobicContact CE2-CB 4.09Å; Y219-A274 VanDerWaalsContact CE2-N 3.26Å; Y219-A274 WeakPolarHBondContact OH-CB 3.4Å; Y219-C277 VanDerWaalsContact CD1-SG 3.58Å
220	K	82.5	Confident	84	Confident	160 Å²	160	28.9 Å²	28.9	70%	0.696	16%	0.157	S	C	*	.	H	α-helix	trans	-64.4	-30.4	176.5	-72.8	175.1	-178.6	179	0	112.6	C216 T217 E218	C216-K220 WeakPolarHBondContact O-CB 3.4Å; C216-K220 VanDerWaalsContact O-CG 3.28Å; C216-K220 WeakPolarHBondContact O-CG 3.46Å; C216-K220 PolarHBondContact O-N 2.9Å; T217-K220 PolarHBondContact O-N 3.13Å; E218-K220 VanDerWaalsContact C-N 3.3Å; E218-K220 PolarHBondContact O-N 3.05Å
221	A	78	Confident	83.9	Confident	15 Å²	15	29 Å²	29	12%	0.124	16%	0.159	C	C	.	.	H	α-helix	trans	-71.8	-51.9	177.8	0	0	0	0	0	111.5	Y123 R180 T217 E218 Y219	Y123-A221 VanDerWaalsContact OH-CA 3.28Å; Y123-A221 WeakPolarHBondContact OH-CA 3.37Å; Y123-A221 VanDerWaalsContact OH-CB 3.24Å; Y123-A221 WeakPolarHBondContact OH-CB 3.23Å; R180-A221 PolarHBondContact NH1-O 2.72Å; R180-A221 PolarHBondContact NH2-O 3.29Å; R180-A221 VanDerWaalsContact NH2-O 3.11Å; T217-A221 WeakPolarHBondContact O-CB 3.04Å; T217-A221 PolarHBondContact O-N 2.03Å; E218-A221 WeakPolarHBondContact O-CA 3.48Å; E218-A221 WeakPolarHBondContact O-CB 3.44Å; E218-A221 PolarHBondContact O-N 2.71Å; Y219-A221 PolarHBondContact O-N 2.99Å
222	A	78.6	Confident	83.8	Confident	37 Å²	37	29.5 Å²	29.5	31%	0.306	16%	0.161	S	C	.	.	H	α-helix	trans	-123	0.9	-162.7	0	0	0	0	0	115.1	E218 Y219 H225	E218-A222 PolarHBondContact O-N 2.8Å; Y219-A222 PolarHBondContact O-N 3.25Å; A222-H225 HydrophobicContact CB-CB 4.43Å
223	G	80.5	Confident	83.4	Confident	27 Å²	27	32.8 Å²	32.8	28%	0.278	18%	0.177	S	C	.	.	S	Bend	trans	70.7	-143.9	-172.1	0	0	0	0	0	111.4	Y219 H225	Y219-G223 WeakPolarHBondContact CD2-O 3.34Å; Y219-G223 VanDerWaalsContact O-CA 3.25Å; Y219-G223 WeakPolarHBondContact O-CA 3.06Å; Y219-G223 PolarHBondContact O-N 3.13Å; G223-H225 PolarHBondContact O-N 3.22Å; G223-H225 PolarHBondContact O-ND1 3.4Å
224	V	84	Confident	82.9	Confident	97 Å²	97	35.2 Å²	35.2	59%	0.588	19%	0.189	S	C	*	.	S	Bend	trans	-73.5	123	175	179.6	0	0	0	0	109.8	Y219 T271 I272 T273	Y219-V224 HydrophobicContact CE2-CG2 4.3Å; V224-T271 HydrophobicContact CG1-CG2 4.16Å; V224-I272 VanDerWaalsContact CA-O 3.3Å; V224-I272 WeakPolarHBondContact CA-O 3.39Å; V224-T273 HydrophobicContact CG1-CG2 4.3Å
225	H	82.4	Confident	82.4	Confident	9 Å²	9	34.5 Å²	34.5	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	169.2	-178.4	65.3	-72.9	0	0	0	112.1	L37 E218 A222 G223 V227 I272	L37-H225 WeakPolarHBondContact CD1-NE2 3.41Å; E218-H225 WeakPolarHBondContact CB-NE2 3.13Å; E218-H225 PolarHBondContact O-CE1 2.95Å; E218-H225 VanDerWaalsContact O-CE1 3.24Å; A222-H225 HydrophobicContact CB-CB 4.43Å; G223-H225 PolarHBondContact O-N 3.22Å; G223-H225 PolarHBondContact O-ND1 3.4Å; H225-V227 WeakPolarHBondContact NE2-CG2 3.42Å; H225-I272 PolarHBondContact N-O 3.23Å; H225-I272 PolarHBondContact O-N 3.31Å
226	N	83.2	Confident	82.1	Confident	36 Å²	36	35.7 Å²	35.7	19%	0.193	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.7	176.5	-69.8	-15	0	0	0	109.7	T34 K36 R270 T271	T34-N226 WeakPolarHBondContact CG2-ND2 3.37Å; K36-N226 VanDerWaalsContact CA-O 3.27Å; K36-N226 WeakPolarHBondContact CA-O 3.23Å; K36-N226 HydrophobicContact CG-CB 4.17Å; K36-N226 WeakPolarHBondContact CG-O 3.39Å; N226-R270 CarbonylContact C-O 3.56Å; N226-R270 WeakPolarHBondContact CA-O 3.38Å; N226-T271 PolarHBondContact OD1-OG1 2.92Å
227	V	83.2	Confident	82	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	141.8	168.5	169.4	0	0	0	0	108.7	L37 Y214 E218 H225 I229 F244 V269 R270 I272	L37-V227 HydrophobicContact CB-CG2 4.22Å; L37-V227 WeakPolarHBondContact O-CG1 3.27Å; Y214-V227 HydrophobicContact CE1-CG1 3.91Å; Y214-V227 WeakPolarHBondContact OH-CG1 3.25Å; E218-V227 HydrophobicContact CB-CG2 4.32Å; E218-V227 HydrophobicContact CG-CG2 4.23Å; H225-V227 WeakPolarHBondContact NE2-CG2 3.42Å; V227-I229 HydrophobicContact CG1-CG2 4.19Å; V227-F244 HydrophobicContact CB-CE1 4.43Å; V227-F244 HydrophobicContact CG1-CE1 3.84Å; V227-F244 HydrophobicContact CG1-CZ 3.91Å; V227-V269 CarbonylContact O-C 3.52Å; V227-V269 WeakPolarHBondContact O-CA 3.45Å; V227-R270 PolarHBondContact N-O 2.78Å; V227-R270 PolarHBondContact O-N 3.04Å; V227-I272 HydrophobicContact CB-CG1 3.96Å; V227-I272 HydrophobicContact CG2-CB 4.42Å; V227-I272 HydrophobicContact CG2-CD1 4.35Å; V227-I272 HydrophobicContact CG2-CG1 3.37Å
228	A	86.9	Confident	81.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.8	178.1	0	0	0	0	0	110.9	K36 L37 F38 L173 L267 M268 V269	K36-A228 HydrophobicContact CB-CB 3.86Å; K36-A228 HydrophobicContact CD-CB 3.99Å; K36-A228 HydrophobicContact CG-CB 4.27Å; L37-A228 CarbonylContact C-O 3.47Å; L37-A228 CarbonylContact O-C 3.57Å; L37-A228 PolarHBondContact O-N 3.4Å; F38-A228 WeakPolarHBondContact CA-O 3.26Å; F38-A228 HydrophobicContact CD1-CB 4.33Å; F38-A228 WeakPolarHBondContact CD1-O 3.46Å; F38-A228 HydrophobicContact CE1-CB 3.6Å; F38-A228 WeakPolarHBondContact CE1-O 3.34Å; F38-A228 WeakPolarHBondContact CG-O 3.29Å; F38-A228 HydrophobicContact CZ-CB 3.72Å; L173-A228 HydrophobicContact CD1-CB 4.33Å; A228-L267 HydrophobicContact CB-CD1 4.09Å; A228-M268 CarbonylContact C-O 3.55Å; A228-M268 VanDerWaalsContact CA-O 3.25Å; A228-M268 WeakPolarHBondContact CA-O 3.42Å; A228-V269 HydrophobicContact CB-CG1 4Å
229	I	86.6	Confident	81.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.2	-177.4	62.6	172.8	0	0	0	110.9	V227 A231 F239 F244 L267 M268	V227-I229 HydrophobicContact CG1-CG2 4.19Å; I229-A231 HydrophobicContact CD1-CB 4.36Å; I229-F239 HydrophobicContact CD1-CB 3.99Å; I229-F239 HydrophobicContact CD1-CD1 3.17Å; I229-F239 HydrophobicContact CD1-CD2 3.67Å; I229-F239 HydrophobicContact CD1-CE1 3.35Å; I229-F239 HydrophobicContact CD1-CE2 3.83Å; I229-F239 HydrophobicContact CD1-CG 3.33Å; I229-F239 HydrophobicContact CD1-CZ 3.67Å; I229-F244 HydrophobicContact CB-CE1 4.48Å; I229-F244 HydrophobicContact CD1-CD1 3.74Å; I229-F244 HydrophobicContact CD1-CD2 4.47Å; I229-F244 HydrophobicContact CD1-CE1 3.76Å; I229-F244 HydrophobicContact CD1-CE2 4.48Å; I229-F244 HydrophobicContact CD1-CG 4.12Å; I229-F244 HydrophobicContact CD1-CZ 4.14Å; I229-F244 HydrophobicContact CG1-CD1 3.84Å; I229-F244 HydrophobicContact CG1-CE1 3.82Å; I229-F244 HydrophobicContact CG2-CE1 3.92Å; I229-F244 HydrophobicContact CG2-CZ 4.29Å; I229-L267 WeakPolarHBondContact O-CA 3.36Å; I229-M268 HydrophobicContact CD1-CB 4.38Å; I229-M268 HydrophobicContact CG1-CB 3.87Å; I229-M268 PolarHBondContact N-O 2.8Å; I229-M268 PolarHBondContact O-N 3.3Å
230	F	88.3	Confident	81.9	Confident	1 Å²	1	40 Å²	40	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	76.3	171	-64.1	-77.6	0	0	0	110.5	F38 H40 R165 C168 A169 L253 W261 F262 R265 C266 L267	F38-F230 AromaticContact CD1-CD2 3.51Å; F38-F230 HydrophobicContact CD1-CD2 3.51Å; F38-F230 AromaticContact CD1-CE2 3.33Å; F38-F230 HydrophobicContact CD1-CE2 3.33Å; F38-F230 HydrophobicContact CD1-CZ 4.39Å; F38-F230 AromaticContact CE1-CD2 3.76Å; F38-F230 HydrophobicContact CE1-CD2 3.76Å; F38-F230 AromaticContact CE1-CE2 3.13Å; F38-F230 HydrophobicContact CE1-CE2 3.13Å; F38-F230 AromaticContact CE1-CZ 3.8Å; F38-F230 HydrophobicContact CE1-CZ 3.8Å; F38-F230 HydrophobicContact CG-CE2 4.43Å; F38-F230 HydrophobicContact CZ-CE2 4.11Å; H40-F230 PolarHBondContact CE1-O 2.87Å; R165-F230 HydrophobicContact CB-CD2 4.22Å; R165-F230 HydrophobicContact CB-CE2 3.65Å; R165-F230 HydrophobicContact CG-CD2 3.74Å; R165-F230 HydrophobicContact CG-CE2 3.64Å; C168-F230 HydrophobicContact CB-CZ 3.99Å; C168-F230 VanDerWaalsContact SG-CE1 3.51Å; C168-F230 VanDerWaalsContact SG-CZ 3.55Å; A169-F230 HydrophobicContact CB-CZ 4.17Å; F230-L253 HydrophobicContact CD1-CD2 4.14Å; F230-L253 HydrophobicContact CE1-CD1 4.18Å; F230-L253 HydrophobicContact CE1-CD2 4.42Å; F230-W261 HydrophobicContact CB-CH2 4.12Å; F230-W261 HydrophobicContact CB-CZ3 4.19Å; F230-W261 HydrophobicContact CG-CZ3 4.41Å; F230-F262 AromaticContact CD1-CD1 3.82Å; F230-F262 HydrophobicContact CD1-CD1 3.82Å; F230-F262 AromaticContact CD1-CE1 3.68Å; F230-F262 HydrophobicContact CD1-CE1 3.68Å; F230-F262 HydrophobicContact CD2-CE1 4.14Å; F230-F262 AromaticContact CE1-CD1 3.9Å; F230-F262 HydrophobicContact CE1-CD1 3.9Å; F230-F262 AromaticContact CE1-CE1 3.52Å; F230-F262 HydrophobicContact CE1-CE1 3.52Å; F230-F262 HydrophobicContact CE2-CE1 4Å; F230-F262 HydrophobicContact CG-CD1 4.37Å; F230-F262 AromaticContact CG-CE1 3.97Å; F230-F262 HydrophobicContact CG-CE1 3.97Å; F230-F262 AromaticContact CZ-CE1 3.7Å; F230-F262 HydrophobicContact CZ-CE1 3.7Å; F230-F262 HydrophobicContact CZ-CZ 4.44Å; F230-R265 PolarHBondContact O-NH1 3.08Å; F230-C266 CarbonylContact C-O 3.43Å; F230-C266 WeakPolarHBondContact CA-O 3.17Å; F230-L267 HydrophobicContact CD1-CB 4.16Å; F230-L267 HydrophobicContact CD1-CD1 4.18Å; F230-L267 HydrophobicContact CE1-CB 3.93Å; F230-L267 HydrophobicContact CE1-CD1 3.71Å; F230-L267 HydrophobicContact CE1-CG 4.28Å; F230-L267 HydrophobicContact CZ-CD1 3.92Å
231	A	86.1	Confident	82	Confident	4 Å²	4	36.7 Å²	36.7	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.7	-179.7	0	0	0	0	0	110.7	I229 L236 F239 R265 C266 M268	I229-A231 HydrophobicContact CD1-CB 4.36Å; A231-L236 HydrophobicContact CB-CD2 3.74Å; A231-F239 HydrophobicContact CB-CD2 3.65Å; A231-F239 HydrophobicContact CB-CE2 3.96Å; A231-R265 CarbonylContact O-C 3.59Å; A231-R265 WeakPolarHBondContact O-CA 3.03Å; A231-R265 WeakPolarHBondContact O-CB 3.27Å; A231-C266 PolarHBondContact N-O 3.44Å; A231-C266 PolarHBondContact O-N 3.23Å; A231-M268 HydrophobicContact CB-CG 4.41Å; A231-M268 HydrophobicContact CB-SD 3.65Å
232	N	82.3	Confident	82	Confident	18 Å²	18	37.4 Å²	37.4	10%	0.096	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	160.5	166.1	72	25.8	0	0	0	109.2	L234 S235 L236	N232-L234 PolarHBondContact O-N 2.99Å; N232-L234 WeakPolarHBondContact OD1-CB 3.34Å; N232-L234 PolarHBondContact OD1-N 3.11Å; N232-L234 VanDerWaalsContact OD1-N 3.15Å; N232-S235 PolarHBondContact N-OG 2.78Å; N232-S235 PolarHBondContact O-N 3.44Å; N232-S235 PolarHBondContact O-OG 2.81Å; N232-S235 WeakPolarHBondContact OD1-CB 3.07Å; N232-S235 PolarHBondContact OD1-N 3.46Å; N232-S235 PolarHBondContact OD1-OG 2.95Å; N232-L236 PolarHBondContact O-N 3.29Å
233	Q	77.4	Confident	82.4	Confident	121 Å²	121	37.7 Å²	37.7	57%	0.565	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-55.7	-34.7	-178.8	-72.6	-178.6	-11.9	0	0	114	S235 L236	Q233-S235 VanDerWaalsContact C-N 3.29Å; Q233-S235 PolarHBondContact O-N 2.94Å; Q233-L236 HydrophobicContact CB-CD1 4.4Å; Q233-L236 HydrophobicContact CG-CD1 4.38Å; Q233-L236 WeakPolarHBondContact O-CG 3.17Å; Q233-L236 PolarHBondContact O-N 3.35Å
234	L	74.5	Confident	82.8	Confident	91 Å²	91	36.6 Å²	36.6	48%	0.476	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-67.2	-29.8	-179.9	-59.5	176.2	0	0	0	112.7	N232	N232-L234 PolarHBondContact O-N 2.99Å; N232-L234 WeakPolarHBondContact OD1-CB 3.34Å; N232-L234 PolarHBondContact OD1-N 3.11Å; N232-L234 VanDerWaalsContact OD1-N 3.15Å
235	S	75.7	Confident	83.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-93	-6.5	-176.3	64	0	0	0	0	114.6	N232 Q233 K237 H238 F239	N232-S235 PolarHBondContact N-OG 2.78Å; N232-S235 PolarHBondContact O-N 3.44Å; N232-S235 PolarHBondContact O-OG 2.81Å; N232-S235 WeakPolarHBondContact OD1-CB 3.07Å; N232-S235 PolarHBondContact OD1-N 3.46Å; N232-S235 PolarHBondContact OD1-OG 2.95Å; Q233-S235 VanDerWaalsContact C-N 3.29Å; Q233-S235 PolarHBondContact O-N 2.94Å; S235-K237 PolarHBondContact O-N 3.3Å; S235-H238 WeakPolarHBondContact O-CB 3.3Å; S235-H238 PolarHBondContact O-N 3.48Å; S235-F239 WeakPolarHBondContact O-CD2 3.27Å; S235-F239 PolarHBondContact O-N 3.32Å
236	L	81.1	Confident	83.7	Confident	28 Å²	28	43.1 Å²	43.1	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-48.9	-170.7	-65.7	175.7	0	0	0	112.9	A231 N232 Q233 H238 F239 V240 M246 C266 M268	A231-L236 HydrophobicContact CB-CD2 3.74Å; N232-L236 PolarHBondContact O-N 3.29Å; Q233-L236 HydrophobicContact CB-CD1 4.4Å; Q233-L236 HydrophobicContact CG-CD1 4.38Å; Q233-L236 WeakPolarHBondContact O-CG 3.17Å; Q233-L236 PolarHBondContact O-N 3.35Å; L236-H238 PolarHBondContact O-N 2.86Å; L236-F239 PolarHBondContact O-N 3.44Å; L236-F239 VanDerWaalsContact O-N 3.07Å; L236-V240 WeakPolarHBondContact O-CG2 2.96Å; L236-V240 PolarHBondContact O-N 3.15Å; L236-M246 HydrophobicContact CD1-CE 4.13Å; L236-M246 HydrophobicContact CD2-CE 4.46Å; L236-C266 HydrophobicContact CD2-CB 3.56Å; L236-M268 HydrophobicContact CD2-CG 4.48Å; L236-M268 HydrophobicContact CD2-SD 3.61Å
237	K	82.8	Confident	84.1	Confident	102 Å²	102	44 Å²	44	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-56	-39.8	-178.7	-171.3	-175.7	179.2	-168.2	0	111.3	S235 N241	S235-K237 PolarHBondContact O-N 3.3Å; K237-N241 WeakPolarHBondContact O-CB 3.3Å; K237-N241 PolarHBondContact O-N 3.23Å; K237-N241 PolarHBondContact O-OD1 2.86Å
238	H	77.3	Confident	84.5	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-45.6	178.1	-59.8	-68.3	0	0	0	111.8	L43 Y47 I49 S235 L236 N241 T242	L43-H238 HydrophobicContact CD1-CB 4.44Å; L43-H238 VanDerWaalsContact CD1-CD2 3.47Å; L43-H238 WeakPolarHBondContact CD1-CD2 3.28Å; Y47-H238 PolarHBondContact O-CE1 3.02Å; Y47-H238 PolarHBondContact O-NE2 3.23Å; I49-H238 VanDerWaalsContact CD1-CE1 3.43Å; I49-H238 WeakPolarHBondContact CD1-CE1 3.34Å; I49-H238 WeakPolarHBondContact CD1-ND1 3.42Å; S235-H238 WeakPolarHBondContact O-CB 3.3Å; S235-H238 PolarHBondContact O-N 3.48Å; L236-H238 PolarHBondContact O-N 2.86Å; H238-N241 PolarHBondContact O-N 2.82Å; H238-T242 WeakPolarHBondContact O-CG2 3.18Å; H238-T242 PolarHBondContact O-N 3.33Å; H238-T242 PolarHBondContact O-OG1 3.01Å
239	F	82.3	Confident	84.8	Confident	11 Å²	11	48 Å²	48	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-40	179.8	-74.2	-64.8	0	0	0	112.1	A41 I229 A231 S235 L236 N241 T242 G243 F244 M268	A41-F239 HydrophobicContact CB-CE2 3.98Å; A41-F239 HydrophobicContact CB-CZ 3.74Å; I229-F239 HydrophobicContact CD1-CB 3.99Å; I229-F239 HydrophobicContact CD1-CD1 3.17Å; I229-F239 HydrophobicContact CD1-CD2 3.67Å; I229-F239 HydrophobicContact CD1-CE1 3.35Å; I229-F239 HydrophobicContact CD1-CE2 3.83Å; I229-F239 HydrophobicContact CD1-CG 3.33Å; I229-F239 HydrophobicContact CD1-CZ 3.67Å; A231-F239 HydrophobicContact CB-CD2 3.65Å; A231-F239 HydrophobicContact CB-CE2 3.96Å; S235-F239 WeakPolarHBondContact O-CD2 3.27Å; S235-F239 PolarHBondContact O-N 3.32Å; L236-F239 PolarHBondContact O-N 3.44Å; L236-F239 VanDerWaalsContact O-N 3.07Å; F239-N241 PolarHBondContact O-N 3.26Å; F239-T242 WeakPolarHBondContact CA-OG1 3.38Å; F239-T242 CarbonylContact O-C 3.52Å; F239-T242 VanDerWaalsContact O-C 3.23Å; F239-T242 WeakPolarHBondContact O-CA 3.19Å; F239-T242 PolarHBondContact O-N 2.79Å; F239-T242 VanDerWaalsContact O-N 3.09Å; F239-T242 PolarHBondContact O-OG1 3.42Å; F239-G243 PolarHBondContact O-N 3.46Å; F239-F244 HydrophobicContact CB-CB 4.06Å; F239-F244 HydrophobicContact CB-CD2 4.23Å; F239-F244 HydrophobicContact CB-CG 4.25Å; F239-F244 AromaticContact CD1-CD2 3.93Å; F239-F244 HydrophobicContact CD1-CD2 3.93Å; F239-F244 HydrophobicContact CD1-CE2 4.02Å; F239-F244 HydrophobicContact CD1-CG 4.45Å; F239-F244 WeakPolarHBondContact O-CB 3.48Å; F239-F244 PolarHBondContact O-N 3.41Å; F239-M268 HydrophobicContact CB-CE 3.76Å; F239-M268 HydrophobicContact CB-SD 3.73Å; F239-M268 HydrophobicContact CG-SD 4.48Å
240	V	87.1	Confident	84.9	Confident	73 Å²	73	48.6 Å²	48.6	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-46.3	172.9	173.6	0	0	0	0	111.4	L236 T242 G243 M268	L236-V240 WeakPolarHBondContact O-CG2 2.96Å; L236-V240 PolarHBondContact O-N 3.15Å; V240-T242 PolarHBondContact O-N 3.42Å; V240-G243 PolarHBondContact O-N 3.47Å; V240-M268 HydrophobicContact CG2-CE 3.55Å
241	N	82.9	Confident	85	Confident	90 Å²	90	52.5 Å²	52.5	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-25.6	177.2	-73.2	7.7	0	0	0	112.4	K237 H238 F239 G243	K237-N241 WeakPolarHBondContact O-CB 3.3Å; K237-N241 PolarHBondContact O-N 3.23Å; K237-N241 PolarHBondContact O-OD1 2.86Å; H238-N241 PolarHBondContact O-N 2.82Å; F239-N241 PolarHBondContact O-N 3.26Å; N241-G243 VanDerWaalsContact C-N 3.28Å
242	T	79.4	Confident	85.2	Confident	31 Å²	31	58.3 Å²	58.3	19%	0.19	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	27.7	169.9	64.9	0	0	0	0	112.2	T211 H238 F239 V240 F244 R270	T211-T242 HydrophobicContact CG2-CG2 4.1Å; H238-T242 WeakPolarHBondContact O-CG2 3.18Å; H238-T242 PolarHBondContact O-N 3.33Å; H238-T242 PolarHBondContact O-OG1 3.01Å; F239-T242 WeakPolarHBondContact CA-OG1 3.38Å; F239-T242 CarbonylContact O-C 3.52Å; F239-T242 VanDerWaalsContact O-C 3.23Å; F239-T242 WeakPolarHBondContact O-CA 3.19Å; F239-T242 PolarHBondContact O-N 2.79Å; F239-T242 VanDerWaalsContact O-N 3.09Å; F239-T242 PolarHBondContact O-OG1 3.42Å; V240-T242 PolarHBondContact O-N 3.42Å; T242-F244 VanDerWaalsContact C-N 3.3Å; T242-F244 PolarHBondContact O-N 3.22Å; T242-R270 VanDerWaalsContact O-CD 3.27Å; T242-R270 WeakPolarHBondContact O-CD 3.35Å; T242-R270 PolarHBondContact O-NE 3.1Å; T242-R270 PolarHBondContact O-NH1 2.84Å
243	G	87.4	Confident	85.6	Confident	42 Å²	42	57.4 Å²	57.4	43%	0.433	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	14.4	171.3	0	0	0	0	0	116.4	F239 V240 N241 R270	F239-G243 PolarHBondContact O-N 3.46Å; V240-G243 PolarHBondContact O-N 3.47Å; N241-G243 VanDerWaalsContact C-N 3.28Å; G243-R270 WeakPolarHBondContact O-CG 3.2Å
244	F	88.9	Confident	86.3	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.018	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-78	134.3	168	-77.7	-100.3	0	0	0	110.7	Y214 L215 V227 I229 F239 T242 M268 V269 R270	Y214-F244 HydrophobicContact CE1-CZ 4.28Å; L215-F244 HydrophobicContact CD2-CZ 4.41Å; V227-F244 HydrophobicContact CB-CE1 4.43Å; V227-F244 HydrophobicContact CG1-CE1 3.84Å; V227-F244 HydrophobicContact CG1-CZ 3.91Å; I229-F244 HydrophobicContact CB-CE1 4.48Å; I229-F244 HydrophobicContact CD1-CD1 3.74Å; I229-F244 HydrophobicContact CD1-CD2 4.47Å; I229-F244 HydrophobicContact CD1-CE1 3.76Å; I229-F244 HydrophobicContact CD1-CE2 4.48Å; I229-F244 HydrophobicContact CD1-CG 4.12Å; I229-F244 HydrophobicContact CD1-CZ 4.14Å; I229-F244 HydrophobicContact CG1-CD1 3.84Å; I229-F244 HydrophobicContact CG1-CE1 3.82Å; I229-F244 HydrophobicContact CG2-CE1 3.92Å; I229-F244 HydrophobicContact CG2-CZ 4.29Å; F239-F244 HydrophobicContact CB-CB 4.06Å; F239-F244 HydrophobicContact CB-CD2 4.23Å; F239-F244 HydrophobicContact CB-CG 4.25Å; F239-F244 AromaticContact CD1-CD2 3.93Å; F239-F244 HydrophobicContact CD1-CD2 3.93Å; F239-F244 HydrophobicContact CD1-CE2 4.02Å; F239-F244 HydrophobicContact CD1-CG 4.45Å; F239-F244 WeakPolarHBondContact O-CB 3.48Å; F239-F244 PolarHBondContact O-N 3.41Å; T242-F244 VanDerWaalsContact C-N 3.3Å; T242-F244 PolarHBondContact O-N 3.22Å; F244-M268 HydrophobicContact CB-CB 4.09Å; F244-M268 HydrophobicContact CB-CE 3.79Å; F244-M268 HydrophobicContact CD1-CB 4.18Å; F244-V269 CarbonylContact C-O 3.14Å; F244-V269 WeakPolarHBondContact CA-O 3.43Å; F244-R270 HydrophobicContact CD1-CB 3.68Å; F244-R270 HydrophobicContact CD2-CB 4.1Å; F244-R270 HydrophobicContact CE1-CB 3.75Å; F244-R270 HydrophobicContact CE2-CB 4.18Å; F244-R270 HydrophobicContact CG-CB 3.85Å; F244-R270 HydrophobicContact CZ-CB 4.01Å
245	E	92.2	Very high	87.1	Confident	143 Å²	143	58 Å²	58	67%	0.668	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.4	175.2	-63.5	-179.9	174.8	0	0	110	M268 V269	E245-M268 CarbonylContact O-C 3.42Å; E245-M268 WeakPolarHBondContact O-CA 3.48Å; E245-M268 WeakPolarHBondContact O-CB 3.17Å; E245-V269 HydrophobicContact CB-CG2 4.49Å; E245-V269 PolarHBondContact N-O 3.47Å; E245-V269 PolarHBondContact O-N 2.85Å
246	M	92.1	Very high	87.9	Confident	101 Å²	101	61 Å²	61	50%	0.498	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.2	177.5	-176	-177.8	-68.7	0	0	110	L236 C249 C266	L236-M246 HydrophobicContact CD1-CE 4.13Å; L236-M246 HydrophobicContact CD2-CE 4.46Å; M246-C249 VanDerWaalsContact CG-SG 3.55Å; M246-C249 PolarHBondContact SD-SG 3.33Å; M246-C266 HydrophobicContact CG-CB 4.41Å
247	V	91.4	Very high	88.3	Confident	55 Å²	55	60.8 Å²	60.8	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-57.9	178.2	-179.9	0	0	0	0	110.4	L173 L267 V269	L173-V247 HydrophobicContact CD2-CB 4.33Å; L173-V247 HydrophobicContact CD2-CG1 3.7Å; L173-V247 HydrophobicContact CD2-CG2 3.88Å; V247-L267 HydrophobicContact CB-CB 4.38Å; V247-L267 HydrophobicContact CB-CD2 4.21Å; V247-L267 HydrophobicContact CB-CG 4.1Å; V247-L267 HydrophobicContact CG1-CD2 4.16Å; V247-L267 HydrophobicContact CG2-CG 4.41Å; V247-L267 PolarHBondContact N-O 3.02Å; V247-V269 HydrophobicContact CG2-CB 4.27Å; V247-V269 HydrophobicContact CG2-CG1 3.79Å; V247-V269 HydrophobicContact CG2-CG2 3.61Å
248	E	92.6	Very high	88.6	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.238	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	148.5	-178	-171.5	54.7	-86.6	0	0	110.8	L172 K252 L253 C266 L267	L172-E248 HydrophobicContact CD1-CB 4.32Å; L172-E248 HydrophobicContact CD2-CB 4.28Å; L172-E248 HydrophobicContact CD2-CG 4.4Å; E248-K252 HydrophobicContact CG-CB 3.84Å; E248-K252 WeakPolarHBondContact OE1-CB 3.49Å; E248-K252 WeakPolarHBondContact OE1-CD 3.41Å; E248-K252 VanDerWaalsContact OE2-CD 3.27Å; E248-K252 WeakPolarHBondContact OE2-CD 3.32Å; E248-L253 HydrophobicContact CG-CB 4.26Å; E248-C266 CarbonylContact O-C 3.5Å; E248-C266 VanDerWaalsContact O-CA 3.27Å; E248-C266 WeakPolarHBondContact O-CA 3.46Å; E248-L267 PolarHBondContact N-O 3.34Å; E248-L267 PolarHBondContact O-N 3.21Å
249	C	92.3	Very high	89.2	Confident	32 Å²	32	59.1 Å²	59.1	22%	0.216	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.9	-174.9	-63.4	0	0	0	0	113.5	M246 S251 K252 L253 R265 C266	M246-C249 VanDerWaalsContact CG-SG 3.55Å; M246-C249 PolarHBondContact SD-SG 3.33Å; C249-S251 PolarHBondContact O-N 3.02Å; C249-K252 PolarHBondContact O-N 3.22Å; C249-L253 PolarHBondContact O-N 3.38Å; C249-R265 WeakPolarHBondContact CA-O 3.47Å; C249-C266 HydrophobicContact CB-CB 4.08Å; C249-C266 WeakPolarHBondContact CB-SG 3.44Å; C249-C266 WeakPolarHBondContact SG-CB 3.44Å; C249-C266 CovalentContact SG-SG 2.03Å; C249-C266 PolarHBondContact SG-SG 3.39Å
250	G	89	Confident	89.5	Confident	13 Å²	13	61 Å²	61	13%	0.134	35%	0.351	C	S	.	.	H	α-helix	trans	66.5	-133.1	158	0	0	0	0	0	113.9	K252 L253 Y254 K263 R265	G250-K252 VanDerWaalsContact C-N 3.33Å; G250-K252 PolarHBondContact O-N 2.82Å; G250-L253 PolarHBondContact O-N 2.66Å; G250-Y254 PolarHBondContact O-N 2.84Å; G250-K263 VanDerWaalsContact CA-O 3.27Å; G250-K263 WeakPolarHBondContact CA-O 3.35Å; G250-R265 PolarHBondContact N-O 3.18Å
251	S	90.6	Very high	89.5	Confident	83 Å²	83	58 Å²	58	58%	0.58	33%	0.332	S	S	*	.	H	α-helix	trans	-60.7	-38.9	-178.5	-57.1	0	0	0	0	113.2	C249 Y254 E255	C249-S251 PolarHBondContact O-N 3.02Å; S251-Y254 WeakPolarHBondContact O-CB 3.19Å; S251-Y254 PolarHBondContact O-N 3.32Å; S251-E255 WeakPolarHBondContact O-CG 3.34Å; S251-E255 PolarHBondContact O-N 2.69Å
252	K	90.1	Very high	89.9	Confident	126 Å²	126	53.7 Å²	53.7	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-41.5	178.5	-69.7	-175.4	178	-176.9	0	111.8	E248 C249 G250 Y254 E255 V256	E248-K252 HydrophobicContact CG-CB 3.84Å; E248-K252 WeakPolarHBondContact OE1-CB 3.49Å; E248-K252 WeakPolarHBondContact OE1-CD 3.41Å; E248-K252 VanDerWaalsContact OE2-CD 3.27Å; E248-K252 WeakPolarHBondContact OE2-CD 3.32Å; C249-K252 PolarHBondContact O-N 3.22Å; G250-K252 VanDerWaalsContact C-N 3.33Å; G250-K252 PolarHBondContact O-N 2.82Å; K252-Y254 VanDerWaalsContact C-N 3.28Å; K252-Y254 PolarHBondContact O-N 2.95Å; K252-E255 PolarHBondContact O-N 3.28Å; K252-V256 PolarHBondContact O-N 2.71Å; K252-V256 VanDerWaalsContact O-N 3.15Å
253	L	91.3	Very high	90.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-42	173	-176.5	62.3	0	0	0	111	L172 F230 E248 C249 G250 C257 F262 R265 L267	L172-L253 HydrophobicContact CD1-CD1 3.28Å; F230-L253 HydrophobicContact CD1-CD2 4.14Å; F230-L253 HydrophobicContact CE1-CD1 4.18Å; F230-L253 HydrophobicContact CE1-CD2 4.42Å; E248-L253 HydrophobicContact CG-CB 4.26Å; C249-L253 PolarHBondContact O-N 3.38Å; G250-L253 PolarHBondContact O-N 2.66Å; L253-C257 VanDerWaalsContact O-CB 3.28Å; L253-C257 WeakPolarHBondContact O-CB 3.24Å; L253-C257 PolarHBondContact O-N 3.09Å; L253-C257 PolarHBondContact O-SG 2.93Å; L253-F262 HydrophobicContact CD2-CB 4.15Å; L253-F262 HydrophobicContact CD2-CD1 4.14Å; L253-F262 HydrophobicContact CG-CB 4Å; L253-F262 HydrophobicContact CG-CD1 4.3Å; L253-F262 HydrophobicContact CG-CG 4.44Å; L253-R265 HydrophobicContact CD2-CB 4.21Å; L253-R265 WeakPolarHBondContact CD2-O 3.41Å; L253-L267 HydrophobicContact CD1-CB 4.07Å
254	Y	91.8	Very high	90.2	Very high	79 Å²	79	59.9 Å²	59.9	31%	0.31	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-43	174.3	167.1	-107.2	0	0	0	113.3	G250 S251 K252 V256 C257 G258 N259 K263	G250-Y254 PolarHBondContact O-N 2.84Å; S251-Y254 WeakPolarHBondContact O-CB 3.19Å; S251-Y254 PolarHBondContact O-N 3.32Å; K252-Y254 VanDerWaalsContact C-N 3.28Å; K252-Y254 PolarHBondContact O-N 2.95Å; Y254-V256 VanDerWaalsContact C-N 3.3Å; Y254-V256 PolarHBondContact O-N 2.97Å; Y254-C257 PolarHBondContact O-N 2.91Å; Y254-G258 WeakPolarHBondContact O-CA 3.28Å; Y254-G258 PolarHBondContact O-N 3.31Å; Y254-N259 VanDerWaalsContact CD2-C 3.43Å; Y254-N259 VanDerWaalsContact CD2-O 3.3Å; Y254-N259 WeakPolarHBondContact CD2-O 3.39Å; Y254-K263 HydrophobicContact CD1-CD 4.44Å; Y254-K263 VanDerWaalsContact CD1-CE 3.45Å; Y254-K263 HydrophobicContact CD1-CG 4.13Å; Y254-K263 HydrophobicContact CD2-CD 4.39Å; Y254-K263 HydrophobicContact CD2-CG 3.8Å; Y254-K263 VanDerWaalsContact CE1-CE 3.42Å; Y254-K263 HydrophobicContact CG-CD 4.24Å; Y254-K263 HydrophobicContact CG-CG 3.54Å
255	E	92	Very high	90.3	Very high	145 Å²	145	60.6 Å²	60.6	68%	0.678	33%	0.329	S	S	*	.	H	α-helix	trans	-59.5	-40.9	179	-76.7	165.8	-164.4	0	0	111.9	S251 K252	S251-E255 WeakPolarHBondContact O-CG 3.34Å; S251-E255 PolarHBondContact O-N 2.69Å; K252-E255 PolarHBondContact O-N 3.28Å
256	V	90.8	Very high	90.2	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.376	30%	0.298	S	S	.	.	H	α-helix	trans	-74.2	-40.4	177.9	178.1	0	0	0	0	111.8	L171 L172 K252 Y254	L171-V256 HydrophobicContact CB-CG1 3.77Å; L171-V256 HydrophobicContact CD1-CG1 4.2Å; L172-V256 HydrophobicContact CD1-CG1 4.5Å; L172-V256 HydrophobicContact CD2-CB 4.24Å; L172-V256 HydrophobicContact CD2-CG1 3.99Å; L172-V256 HydrophobicContact CD2-CG2 4.01Å; L172-V256 HydrophobicContact CG-CB 4.44Å; L172-V256 HydrophobicContact CG-CG1 3.88Å; K252-V256 PolarHBondContact O-N 2.71Å; K252-V256 VanDerWaalsContact O-N 3.15Å; Y254-V256 VanDerWaalsContact C-N 3.3Å; Y254-V256 PolarHBondContact O-N 2.97Å
257	C	90.9	Very high	90.2	Very high	24 Å²	24	49.1 Å²	49.1	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-93.9	-12.1	-170.2	-56.3	0	0	0	0	114.3	C168 L253 Y254 N259 F262	C168-C257 VanDerWaalsContact CA-SG 3.51Å; C168-C257 HydrophobicContact CB-CB 3.62Å; C168-C257 WeakPolarHBondContact CB-SG 3.03Å; C168-C257 WeakPolarHBondContact SG-CB 3.07Å; C168-C257 CovalentContact SG-SG 2.01Å; C168-C257 PolarHBondContact SG-SG 3.38Å; L253-C257 VanDerWaalsContact O-CB 3.28Å; L253-C257 WeakPolarHBondContact O-CB 3.24Å; L253-C257 PolarHBondContact O-N 3.09Å; L253-C257 PolarHBondContact O-SG 2.93Å; Y254-C257 PolarHBondContact O-N 2.91Å; C257-N259 PolarHBondContact O-N 3.34Å; C257-F262 HydrophobicContact CB-CD2 3.42Å; C257-F262 VanDerWaalsContact CB-CD2 3.42Å; C257-F262 HydrophobicContact CB-CE2 3.62Å; C257-F262 HydrophobicContact CB-CG 3.97Å; C257-F262 HydrophobicContact CB-CZ 4.29Å
258	G	89	Confident	90.2	Very high	61 Å²	61	46.5 Å²	46.5	63%	0.629	26%	0.259	S	S	*	.			trans	66.7	7.9	173.1	0	0	0	0	0	115.9	Y254	Y254-G258 WeakPolarHBondContact O-CA 3.28Å; Y254-G258 PolarHBondContact O-N 3.31Å
259	N	88.9	Confident	90.1	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.08	25%	0.254	C	S	.	.			trans	-124.5	123	-176.9	-177.6	-42.4	0	0	0	111.7	I88 A91 Q164 Y254 C257 W261 F262	I88-N259 PolarHBondContact O-ND2 2.87Å; A91-N259 WeakPolarHBondContact CB-OD1 3.11Å; Q164-N259 PolarHBondContact OE1-ND2 3.32Å; Y254-N259 VanDerWaalsContact CD2-C 3.43Å; Y254-N259 VanDerWaalsContact CD2-O 3.3Å; Y254-N259 WeakPolarHBondContact CD2-O 3.39Å; C257-N259 PolarHBondContact O-N 3.34Å; N259-W261 PolarHBondContact O-N 2.93Å; N259-W261 WeakPolarHBondContact OD1-CB 3.28Å; N259-W261 PolarHBondContact OD1-N 2.84Å; N259-F262 HydrophobicContact CB-CD2 3.73Å; N259-F262 HydrophobicContact CB-CE2 3.85Å; N259-F262 WeakPolarHBondContact O-CB 3.34Å; N259-F262 WeakPolarHBondContact O-CD2 3.36Å; N259-F262 PolarHBondContact O-N 2.83Å
260	S	88.8	Confident	89.9	Confident	51 Å²	51	46.2 Å²	46.2	36%	0.357	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60	-21.7	-172.4	64.9	0	0	0	0	114.3	F262 K263	S260-F262 PolarHBondContact O-N 3.2Å; S260-K263 WeakPolarHBondContact O-CB 3.41Å; S260-K263 WeakPolarHBondContact O-CG 3.37Å; S260-K263 PolarHBondContact O-N 3.4Å; S260-K263 VanDerWaalsContact O-N 3.15Å
261	W	87.5	Confident	89.8	Confident	9 Å²	9	49.4 Å²	49.4	3%	0.034	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.9	-29.3	172.9	179.6	91	0	0	0	113	H40 R83 Y84 I88 F230 N259 K263 R265	H40-W261 AromaticContact CE1-CH2 3.15Å; H40-W261 WeakPolarHBondContact CE1-CH2 3.47Å; H40-W261 AromaticContact CE1-CZ2 3.39Å; H40-W261 WeakPolarHBondContact CE1-CZ2 3.38Å; H40-W261 AromaticContact NE2-CH2 3.29Å; H40-W261 VanDerWaalsContact NE2-CH2 3.29Å; H40-W261 WeakPolarHBondContact NE2-CH2 3.37Å; H40-W261 AromaticContact NE2-CZ2 3.83Å; R83-W261 PolarHBondContact O-NE1 3.41Å; Y84-W261 HydrophobicContact CD1-CZ2 4.11Å; I88-W261 HydrophobicContact CB-CB 4.21Å; I88-W261 HydrophobicContact CB-CD2 3.92Å; I88-W261 HydrophobicContact CB-CE3 4.4Å; I88-W261 HydrophobicContact CB-CG 3.85Å; I88-W261 HydrophobicContact CD1-CD2 4.16Å; I88-W261 HydrophobicContact CD1-CE3 3.78Å; I88-W261 HydrophobicContact CD1-CH2 4.17Å; I88-W261 HydrophobicContact CD1-CZ3 3.82Å; I88-W261 HydrophobicContact CG1-CB 4.39Å; I88-W261 HydrophobicContact CG1-CD2 4.12Å; I88-W261 HydrophobicContact CG1-CE3 4.1Å; I88-W261 HydrophobicContact CG1-CG 4.29Å; F230-W261 HydrophobicContact CB-CH2 4.12Å; F230-W261 HydrophobicContact CB-CZ3 4.19Å; F230-W261 HydrophobicContact CG-CZ3 4.41Å; N259-W261 PolarHBondContact O-N 2.93Å; N259-W261 WeakPolarHBondContact OD1-CB 3.28Å; N259-W261 PolarHBondContact OD1-N 2.84Å; W261-K263 VanDerWaalsContact C-N 3.31Å; W261-K263 PolarHBondContact O-N 3.37Å; W261-R265 VanDerWaalsContact CZ3-CD 3.47Å
262	F	90	Very high	89.7	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-74.2	-15.5	178.2	-68.9	-72.2	0	0	0	114.2	I88 C168 F230 L253 C257 N259 S260 N264 R265	I88-F262 HydrophobicContact CD1-CE2 4.45Å; I88-F262 HydrophobicContact CD1-CZ 4.08Å; C168-F262 HydrophobicContact CB-CE1 4.07Å; C168-F262 HydrophobicContact CB-CE2 4.13Å; C168-F262 HydrophobicContact CB-CZ 3.65Å; C168-F262 WeakPolarHBondContact SG-CE1 3.33Å; C168-F262 VanDerWaalsContact SG-CZ 3.57Å; F230-F262 AromaticContact CD1-CD1 3.82Å; F230-F262 HydrophobicContact CD1-CD1 3.82Å; F230-F262 AromaticContact CD1-CE1 3.68Å; F230-F262 HydrophobicContact CD1-CE1 3.68Å; F230-F262 HydrophobicContact CD2-CE1 4.14Å; F230-F262 AromaticContact CE1-CD1 3.9Å; F230-F262 HydrophobicContact CE1-CD1 3.9Å; F230-F262 AromaticContact CE1-CE1 3.52Å; F230-F262 HydrophobicContact CE1-CE1 3.52Å; F230-F262 HydrophobicContact CE2-CE1 4Å; F230-F262 HydrophobicContact CG-CD1 4.37Å; F230-F262 AromaticContact CG-CE1 3.97Å; F230-F262 HydrophobicContact CG-CE1 3.97Å; F230-F262 AromaticContact CZ-CE1 3.7Å; F230-F262 HydrophobicContact CZ-CE1 3.7Å; F230-F262 HydrophobicContact CZ-CZ 4.44Å; L253-F262 HydrophobicContact CD2-CB 4.15Å; L253-F262 HydrophobicContact CD2-CD1 4.14Å; L253-F262 HydrophobicContact CG-CB 4Å; L253-F262 HydrophobicContact CG-CD1 4.3Å; L253-F262 HydrophobicContact CG-CG 4.44Å; C257-F262 HydrophobicContact CB-CD2 3.42Å; C257-F262 VanDerWaalsContact CB-CD2 3.42Å; C257-F262 HydrophobicContact CB-CE2 3.62Å; C257-F262 HydrophobicContact CB-CG 3.97Å; C257-F262 HydrophobicContact CB-CZ 4.29Å; N259-F262 HydrophobicContact CB-CD2 3.73Å; N259-F262 HydrophobicContact CB-CE2 3.85Å; N259-F262 WeakPolarHBondContact O-CB 3.34Å; N259-F262 WeakPolarHBondContact O-CD2 3.36Å; N259-F262 PolarHBondContact O-N 2.83Å; S260-F262 PolarHBondContact O-N 3.2Å; F262-N264 PolarHBondContact O-N 2.79Å; F262-R265 PolarHBondContact O-N 3.04Å; F262-R265 VanDerWaalsContact O-N 3.13Å
263	K	89	Confident	89.5	Confident	90 Å²	90	42 Å²	42	39%	0.391	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-58.2	-24.9	-174.9	-74.5	-177.1	176.3	-176	0	115.2	G250 Y254 S260 W261	G250-K263 VanDerWaalsContact CA-O 3.27Å; G250-K263 WeakPolarHBondContact CA-O 3.35Å; Y254-K263 HydrophobicContact CD1-CD 4.44Å; Y254-K263 VanDerWaalsContact CD1-CE 3.45Å; Y254-K263 HydrophobicContact CD1-CG 4.13Å; Y254-K263 HydrophobicContact CD2-CD 4.39Å; Y254-K263 HydrophobicContact CD2-CG 3.8Å; Y254-K263 VanDerWaalsContact CE1-CE 3.42Å; Y254-K263 HydrophobicContact CG-CD 4.24Å; Y254-K263 HydrophobicContact CG-CG 3.54Å; S260-K263 WeakPolarHBondContact O-CB 3.41Å; S260-K263 WeakPolarHBondContact O-CG 3.37Å; S260-K263 PolarHBondContact O-N 3.4Å; S260-K263 VanDerWaalsContact O-N 3.15Å; W261-K263 VanDerWaalsContact C-N 3.31Å; W261-K263 PolarHBondContact O-N 3.37Å
264	N	85.5	Confident	89.3	Confident	113 Å²	113	44.4 Å²	44.4	60%	0.604	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-112.9	24.4	-176.5	-63.2	-37	0	0	0	112.4	F262	F262-N264 PolarHBondContact O-N 2.79Å
265	R	90	Very high	89	Confident	18 Å²	18	44 Å²	44	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	163.9	-173.7	-63.8	-174.5	-179.6	-81.9	-4.8	112.1	H40 F230 A231 C249 G250 L253 W261 F262	H40-R265 PolarHBondContact CE1-NH1 3.05Å; H40-R265 PolarHBondContact ND1-NH1 3.21Å; F230-R265 PolarHBondContact O-NH1 3.08Å; A231-R265 CarbonylContact O-C 3.59Å; A231-R265 WeakPolarHBondContact O-CA 3.03Å; A231-R265 WeakPolarHBondContact O-CB 3.27Å; C249-R265 WeakPolarHBondContact CA-O 3.47Å; G250-R265 PolarHBondContact N-O 3.18Å; L253-R265 HydrophobicContact CD2-CB 4.21Å; L253-R265 WeakPolarHBondContact CD2-O 3.41Å; W261-R265 VanDerWaalsContact CZ3-CD 3.47Å; F262-R265 PolarHBondContact O-N 3.04Å; F262-R265 VanDerWaalsContact O-N 3.13Å
266	C	90.9	Very high	88.8	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.4	167.5	-63	0	0	0	0	109.4	F230 A231 L236 M246 E248 C249 M268	F230-C266 CarbonylContact C-O 3.43Å; F230-C266 WeakPolarHBondContact CA-O 3.17Å; A231-C266 PolarHBondContact N-O 3.44Å; A231-C266 PolarHBondContact O-N 3.23Å; L236-C266 HydrophobicContact CD2-CB 3.56Å; M246-C266 HydrophobicContact CG-CB 4.41Å; E248-C266 CarbonylContact O-C 3.5Å; E248-C266 VanDerWaalsContact O-CA 3.27Å; E248-C266 WeakPolarHBondContact O-CA 3.46Å; C249-C266 HydrophobicContact CB-CB 4.08Å; C249-C266 WeakPolarHBondContact CB-SG 3.44Å; C249-C266 WeakPolarHBondContact SG-CB 3.44Å; C249-C266 CovalentContact SG-SG 2.03Å; C249-C266 PolarHBondContact SG-SG 3.39Å; C266-M268 HydrophobicContact CB-CG 4.14Å
267	L	91.6	Very high	88.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.4	159.9	177.5	60.6	0	0	0	107.6	F38 A169 L172 L173 A228 I229 F230 V247 E248 L253	F38-L267 HydrophobicContact CE1-CD1 4.31Å; A169-L267 HydrophobicContact CB-CD1 4.32Å; L172-L267 HydrophobicContact CB-CD2 3.68Å; L172-L267 HydrophobicContact CD1-CD2 3.54Å; L172-L267 HydrophobicContact CG-CD2 4.26Å; L173-L267 HydrophobicContact CD1-CD2 4.05Å; L173-L267 HydrophobicContact CD2-CD2 4.13Å; L173-L267 HydrophobicContact CG-CD2 4Å; A228-L267 HydrophobicContact CB-CD1 4.09Å; I229-L267 WeakPolarHBondContact O-CA 3.36Å; F230-L267 HydrophobicContact CD1-CB 4.16Å; F230-L267 HydrophobicContact CD1-CD1 4.18Å; F230-L267 HydrophobicContact CE1-CB 3.93Å; F230-L267 HydrophobicContact CE1-CD1 3.71Å; F230-L267 HydrophobicContact CE1-CG 4.28Å; F230-L267 HydrophobicContact CZ-CD1 3.92Å; V247-L267 HydrophobicContact CB-CB 4.38Å; V247-L267 HydrophobicContact CB-CD2 4.21Å; V247-L267 HydrophobicContact CB-CG 4.1Å; V247-L267 HydrophobicContact CG1-CD2 4.16Å; V247-L267 HydrophobicContact CG2-CG 4.41Å; V247-L267 PolarHBondContact N-O 3.02Å; E248-L267 PolarHBondContact N-O 3.34Å; E248-L267 PolarHBondContact O-N 3.21Å; L253-L267 HydrophobicContact CD1-CB 4.07Å
268	M	91.3	Very high	87.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.9	175.2	-50.6	178.5	71.9	0	0	109.7	A228 I229 A231 L236 F239 V240 F244 E245 C266	A228-M268 CarbonylContact C-O 3.55Å; A228-M268 VanDerWaalsContact CA-O 3.25Å; A228-M268 WeakPolarHBondContact CA-O 3.42Å; I229-M268 HydrophobicContact CD1-CB 4.38Å; I229-M268 HydrophobicContact CG1-CB 3.87Å; I229-M268 PolarHBondContact N-O 2.8Å; I229-M268 PolarHBondContact O-N 3.3Å; A231-M268 HydrophobicContact CB-CG 4.41Å; A231-M268 HydrophobicContact CB-SD 3.65Å; L236-M268 HydrophobicContact CD2-CG 4.48Å; L236-M268 HydrophobicContact CD2-SD 3.61Å; F239-M268 HydrophobicContact CB-CE 3.76Å; F239-M268 HydrophobicContact CB-SD 3.73Å; F239-M268 HydrophobicContact CG-SD 4.48Å; V240-M268 HydrophobicContact CG2-CE 3.55Å; F244-M268 HydrophobicContact CB-CB 4.09Å; F244-M268 HydrophobicContact CB-CE 3.79Å; F244-M268 HydrophobicContact CD1-CB 4.18Å; E245-M268 CarbonylContact O-C 3.42Å; E245-M268 WeakPolarHBondContact O-CA 3.48Å; E245-M268 WeakPolarHBondContact O-CB 3.17Å; C266-M268 HydrophobicContact CB-CG 4.14Å
269	V	90.3	Very high	85.8	Confident	24 Å²	24	46.4 Å²	46.4	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.1	-178.1	-63.2	0	0	0	0	112	L173 V227 A228 F244 E245 V247	L173-V269 HydrophobicContact CD1-CG1 3.81Å; L173-V269 HydrophobicContact CD2-CG1 4.01Å; V227-V269 CarbonylContact O-C 3.52Å; V227-V269 WeakPolarHBondContact O-CA 3.45Å; A228-V269 HydrophobicContact CB-CG1 4Å; F244-V269 CarbonylContact C-O 3.14Å; F244-V269 WeakPolarHBondContact CA-O 3.43Å; E245-V269 HydrophobicContact CB-CG2 4.49Å; E245-V269 PolarHBondContact N-O 3.47Å; E245-V269 PolarHBondContact O-N 2.85Å; V247-V269 HydrophobicContact CG2-CB 4.27Å; V247-V269 HydrophobicContact CG2-CG1 3.79Å; V247-V269 HydrophobicContact CG2-CG2 3.61Å
270	R	88.9	Confident	83.5	Confident	54 Å²	54	55.1 Å²	55.1	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	135.2	172.2	-174.3	178.5	173.7	-178.3	-0.5	110	N226 V227 T242 G243 F244 I272 D276	N226-R270 CarbonylContact C-O 3.56Å; N226-R270 WeakPolarHBondContact CA-O 3.38Å; V227-R270 PolarHBondContact N-O 2.78Å; V227-R270 PolarHBondContact O-N 3.04Å; T242-R270 VanDerWaalsContact O-CD 3.27Å; T242-R270 WeakPolarHBondContact O-CD 3.35Å; T242-R270 PolarHBondContact O-NE 3.1Å; T242-R270 PolarHBondContact O-NH1 2.84Å; G243-R270 WeakPolarHBondContact O-CG 3.2Å; F244-R270 HydrophobicContact CD1-CB 3.68Å; F244-R270 HydrophobicContact CD2-CB 4.1Å; F244-R270 HydrophobicContact CE1-CB 3.75Å; F244-R270 HydrophobicContact CE2-CB 4.18Å; F244-R270 HydrophobicContact CG-CB 3.85Å; F244-R270 HydrophobicContact CZ-CB 4.01Å; R270-I272 HydrophobicContact CB-CD1 4.15Å; R270-I272 HydrophobicContact CG-CD1 3.74Å; R270-D276 IonicContact CZ-OD1 3.39Å; R270-D276 IonicContact NE-OD1 3.8Å; R270-D276 IonicContact NH2-OD1 2.6Å; R270-D276 PolarHBondContact NH2-OD1 3.49Å
271	T	87.8	Confident	83.2	Confident	79 Å²	79	55.4 Å²	55.4	49%	0.485	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.6	168.6	-52	0	0	0	0	109.6	V224 N226 T273	V224-T271 HydrophobicContact CG1-CG2 4.16Å; N226-T271 PolarHBondContact OD1-OG1 2.92Å; T271-T273 HydrophobicContact CG2-CG2 4.36Å
272	I	86.6	Confident	83	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.4	179.8	-54	-50.4	0	0	0	110	L215 V224 H225 V227 R270 D276	L215-I272 HydrophobicContact CB-CD1 4.42Å; L215-I272 HydrophobicContact CB-CG2 4.29Å; L215-I272 HydrophobicContact CD1-CD1 4.01Å; L215-I272 HydrophobicContact CD2-CD1 3.31Å; L215-I272 HydrophobicContact CD2-CG1 3.88Å; L215-I272 HydrophobicContact CG-CD1 4.07Å; L215-I272 WeakPolarHBondContact O-CG2 3.49Å; V224-I272 VanDerWaalsContact CA-O 3.3Å; V224-I272 WeakPolarHBondContact CA-O 3.39Å; H225-I272 PolarHBondContact N-O 3.23Å; H225-I272 PolarHBondContact O-N 3.31Å; V227-I272 HydrophobicContact CB-CG1 3.96Å; V227-I272 HydrophobicContact CG2-CB 4.42Å; V227-I272 HydrophobicContact CG2-CD1 4.35Å; V227-I272 HydrophobicContact CG2-CG1 3.37Å; R270-I272 HydrophobicContact CB-CD1 4.15Å; R270-I272 HydrophobicContact CG-CD1 3.74Å; I272-D276 WeakPolarHBondContact CA-OD2 3.1Å; I272-D276 HydrophobicContact CG2-CB 4.28Å
273	T	87.3	Confident	82.6	Confident	53 Å²	53	60.9 Å²	60.9	33%	0.325	36%	0.356	S	S	.	.			trans	-138.5	174	-173.1	69.8	0	0	0	0	110.9	V224 T271 G275 D276	V224-T273 HydrophobicContact CG1-CG2 4.3Å; T271-T273 HydrophobicContact CG2-CG2 4.36Å; T273-G275 PolarHBondContact O-N 3.06Å; T273-G275 PolarHBondContact OG1-N 3.02Å; T273-D276 PolarHBondContact N-OD2 2.9Å; T273-D276 WeakPolarHBondContact O-CB 3.4Å; T273-D276 PolarHBondContact O-N 2.89Å; T273-D276 PolarHBondContact OG1-OD2 3.39Å
274	A	86.3	Confident	82.2	Confident	51 Å²	51	59.2 Å²	59.2	42%	0.421	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.8	-31	173.3	0	0	0	0	0	112.7	Y219 D276 C277	Y219-A274 HydrophobicContact CE1-CB 3.89Å; Y219-A274 HydrophobicContact CE2-CB 4.09Å; Y219-A274 VanDerWaalsContact CE2-N 3.26Å; Y219-A274 WeakPolarHBondContact OH-CB 3.4Å; A274-D276 PolarHBondContact O-N 3.3Å; A274-C277 WeakPolarHBondContact O-CB 3.4Å; A274-C277 PolarHBondContact O-N 3.18Å
275	G	86.7	Confident	82	Confident	70 Å²	70	55.9 Å²	55.9	72%	0.722	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.2	-19.6	-179.2	0	0	0	0	0	114	T273 C277	T273-G275 PolarHBondContact O-N 3.06Å; T273-G275 PolarHBondContact OG1-N 3.02Å; G275-C277 PolarHBondContact O-N 3.47Å
276	D	86	Confident	81.5	Confident	29 Å²	29	58.4 Å²	58.4	16%	0.155	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-75.8	-15.5	173.6	-57.8	-69.1	0	0	0	112	L215 R270 I272 T273 A274	L215-D276 HydrophobicContact CB-CB 4.37Å; L215-D276 HydrophobicContact CD1-CB 4.46Å; R270-D276 IonicContact CZ-OD1 3.39Å; R270-D276 IonicContact NE-OD1 3.8Å; R270-D276 IonicContact NH2-OD1 2.6Å; R270-D276 PolarHBondContact NH2-OD1 3.49Å; I272-D276 WeakPolarHBondContact CA-OD2 3.1Å; I272-D276 HydrophobicContact CG2-CB 4.28Å; T273-D276 PolarHBondContact N-OD2 2.9Å; T273-D276 WeakPolarHBondContact O-CB 3.4Å; T273-D276 PolarHBondContact O-N 2.89Å; T273-D276 PolarHBondContact OG1-OD2 3.39Å; A274-D276 PolarHBondContact O-N 3.3Å
277	C	83.4	Confident	80.8	Confident	30 Å²	30	62.4 Å²	62.4	20%	0.203	38%	0.38	C	S	.	.	S	Bend	trans	-91.2	100.6	173.5	-52.2	0	0	0	0	109.2	C216 Y219 A274 G275 S279	C216-C277 VanDerWaalsContact CA-SG 3.59Å; C216-C277 WeakPolarHBondContact SG-CA 3.45Å; C216-C277 VanDerWaalsContact SG-SG 3.63Å; Y219-C277 VanDerWaalsContact CD1-SG 3.58Å; A274-C277 WeakPolarHBondContact O-CB 3.4Å; A274-C277 PolarHBondContact O-N 3.18Å; G275-C277 PolarHBondContact O-N 3.47Å; C277-S279 PolarHBondContact O-N 3.32Å; C277-S279 VanDerWaalsContact O-N 3.13Å
278	R	72	Confident	80	Confident	170 Å²	170	67.2 Å²	67.2	64%	0.642	41%	0.409	S	S	*	.			trans	-60.5	124.4	162.1	-50.4	179.7	175	171.9	0.7	106.6	Q212 T280	Q212-R278 VanDerWaalsContact NE2-CB 3.34Å; R278-T280 PolarHBondContact O-N 2.87Å
279	S	53	Low	79.1	Confident	114 Å²	114	72.8 Å²	72.8	80%	0.797	44%	0.443	S	S	*	.			trans	-50.8	111	167.2	54.5	0	0	0	0	107.7	C277	C277-S279 PolarHBondContact O-N 3.32Å; C277-S279 VanDerWaalsContact O-N 3.13Å
280	T	40.5	Very low	78	Confident	199 Å²	199	77.2 Å²	77.2	100%	1.221	47%	0.47	S	S	*	.			trans	-58.3	0	162.7	46.8	0	0	0	0	109.3	R278	R278-T280 PolarHBondContact O-N 2.87Å

Retrieved 280 of 280 residues in 257.7 ms (Link to these results)

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