A0A077Z0W0_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z0W0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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	27.7	Very low	45.2	Very low	248 Å²	248	113.9 Å²	113.9	100%	1.222	52%	0.516	S	S	*	.				0	55.6	0	-70.3	-179.8	169.5	0	0	112
2	Q	29.4	Very low	45.6	Very low	194 Å²	194	107.3 Å²	107.3	91%	0.907	49%	0.488	S	S	*	.			trans	-85.8	118.5	171.3	-82.1	178.2	-6.2	0	0	109.5
3	K	37.1	Very low	45.5	Very low	180 Å²	180	106.5 Å²	106.5	78%	0.783	50%	0.503	S	S	*	.			trans	164.8	8.2	143	-92.5	179.6	-175.8	-178.8	0	114.2	G5 K10	K3-G5 PolarHBondContact O-N 3.32Å; K3-K10 PolarHBondContact O-NZ 2.95Å
4	R	40.2	Very low	45	Very low	238 Å²	238	110.6 Å²	110.6	90%	0.898	52%	0.522	S	S	*	.	S	Bend	trans	-66.8	125.7	172.3	-75.6	-171.2	177.9	177.7	0.2	111.3
5	G	44	Very low	44.3	Very low	12 Å²	12	111.8 Å²	111.8	12%	0.124	53%	0.533	C	S	.	.	S	Bend	trans	67.1	75.6	150.2	0	0	0	0	0	118.1	K3 E330	K3-G5 PolarHBondContact O-N 3.32Å; G5-E330 CarbonylContact C-O 3.1Å; G5-E330 WeakPolarHBondContact CA-O 3.14Å; G5-E330 CarbonylContact O-C 3.36Å
6	F	58.8	Low	43.8	Very low	66 Å²	66	108.2 Å²	108.2	29%	0.289	52%	0.522	S	S	.	.			trans	-152.5	47.3	156.8	-71.2	-56.8	0	0	0	108.6	V8 L9 K10 I188 E330	F6-V8 VanDerWaalsContact C-N 3.3Å; F6-V8 PolarHBondContact O-N 3.48Å; F6-L9 HydrophobicContact CB-CB 4.24Å; F6-L9 HydrophobicContact CD1-CD1 3.89Å; F6-L9 HydrophobicContact CE1-CD1 4.43Å; F6-L9 PolarHBondContact O-N 2.95Å; F6-K10 HydrophobicContact CB-CD 4.38Å; F6-K10 HydrophobicContact CB-CG 4.03Å; F6-K10 WeakPolarHBondContact O-CA 3.44Å; F6-K10 WeakPolarHBondContact O-CB 3.41Å; F6-K10 WeakPolarHBondContact O-CG 3.43Å; F6-K10 PolarHBondContact O-N 3.24Å; F6-I188 HydrophobicContact CD1-CD1 4.2Å; F6-I188 HydrophobicContact CE1-CD1 3.41Å; F6-I188 VanDerWaalsContact CE1-CD1 3.41Å; F6-I188 HydrophobicContact CZ-CD1 4.18Å; F6-E330 HydrophobicContact CE1-CG 4.39Å
7	Y	55.8	Low	43.4	Very low	89 Å²	89	104.2 Å²	104.2	35%	0.349	50%	0.504	S	S	.	.	H	α-helix	trans	-58.7	-47	-174.2	171.9	-94.8	0	0	0	111	N11 K331 L333	Y7-N11 WeakPolarHBondContact CD2-ND2 3.5Å; Y7-N11 WeakPolarHBondContact CE1-ND2 3.34Å; Y7-N11 WeakPolarHBondContact CE2-ND2 3.5Å; Y7-N11 PolarHBondContact O-N 3.46Å; Y7-N11 VanDerWaalsContact O-N 3.12Å; Y7-N11 PolarHBondContact O-ND2 3.24Å; Y7-N11 VanDerWaalsContact O-ND2 3.1Å; Y7-K331 PolarHBondContact N-O 3.07Å; Y7-L333 HydrophobicContact CD1-CB 3.98Å; Y7-L333 HydrophobicContact CD1-CD1 4.17Å; Y7-L333 HydrophobicContact CD2-CB 3.76Å; Y7-L333 HydrophobicContact CE1-CB 4.09Å; Y7-L333 HydrophobicContact CE1-CD1 3.71Å; Y7-L333 HydrophobicContact CE1-CD2 4.37Å; Y7-L333 HydrophobicContact CE1-CG 4.26Å; Y7-L333 HydrophobicContact CE2-CB 3.85Å; Y7-L333 HydrophobicContact CE2-CD2 3.96Å; Y7-L333 HydrophobicContact CE2-CG 4.36Å; Y7-L333 HydrophobicContact CG-CB 3.81Å
8	V	54.1	Low	43.5	Very low	0 Å²	0	101.2 Å²	101.2	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-60	-53.8	178.1	176.3	0	0	0	0	110.2	F6 K10 N11 L12 L135 A138 W329 L336	F6-V8 VanDerWaalsContact C-N 3.3Å; F6-V8 PolarHBondContact O-N 3.48Å; V8-K10 PolarHBondContact O-N 3.03Å; V8-N11 PolarHBondContact O-N 3.4Å; V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 WeakPolarHBondContact O-CB 3.41Å; V8-L12 VanDerWaalsContact O-CD1 3.32Å; V8-L12 WeakPolarHBondContact O-CD1 3.36Å; V8-L12 WeakPolarHBondContact O-CG 3.25Å; V8-L12 PolarHBondContact O-N 3.41Å; V8-L135 HydrophobicContact CG1-CB 4.48Å; V8-L135 HydrophobicContact CG1-CD2 3.45Å; V8-L135 VanDerWaalsContact CG1-CD2 3.45Å; V8-A138 HydrophobicContact CG1-CB 3.78Å; V8-A138 HydrophobicContact CG2-CB 4.39Å; V8-W329 HydrophobicContact CB-CB 4.03Å; V8-W329 HydrophobicContact CG1-CB 4.03Å; V8-L336 HydrophobicContact CG2-CD1 4.19Å
9	L	54.8	Low	43.3	Very low	33 Å²	33	98.4 Å²	98.4	17%	0.173	48%	0.477	C	S	.	.	H	α-helix	trans	-69.6	-34.3	-177.3	-62.7	177.1	0	0	0	113.7	F6 L12 S13 V130 L135 I180 I188	F6-L9 HydrophobicContact CB-CB 4.24Å; F6-L9 HydrophobicContact CD1-CD1 3.89Å; F6-L9 HydrophobicContact CE1-CD1 4.43Å; F6-L9 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-S13 PolarHBondContact O-N 3.5Å; L9-V130 HydrophobicContact CD2-CB 4.4Å; L9-V130 HydrophobicContact CD2-CG2 3.85Å; L9-L135 HydrophobicContact CD2-CD2 3.77Å; L9-I180 HydrophobicContact CD1-CD1 4.32Å; L9-I180 HydrophobicContact CD2-CD1 3.88Å; L9-I188 HydrophobicContact CD1-CD1 3.91Å; L9-I188 HydrophobicContact CD1-CG2 4.45Å
10	K	48.9	Very low	43.5	Very low	100 Å²	100	94.8 Å²	94.8	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-37.8	177.2	-77.5	174.8	179.1	175.5	0	112.4	K3 F6 V8 L12 S13	K3-K10 PolarHBondContact O-NZ 2.95Å; F6-K10 HydrophobicContact CB-CD 4.38Å; F6-K10 HydrophobicContact CB-CG 4.03Å; F6-K10 WeakPolarHBondContact O-CA 3.44Å; F6-K10 WeakPolarHBondContact O-CB 3.41Å; F6-K10 WeakPolarHBondContact O-CG 3.43Å; F6-K10 PolarHBondContact O-N 3.24Å; V8-K10 PolarHBondContact O-N 3.03Å; K10-L12 VanDerWaalsContact C-N 3.3Å; K10-S13 PolarHBondContact O-OG 2.83Å
11	N	46.6	Very low	43.6	Very low	93 Å²	93	90.5 Å²	90.5	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-76.2	-23	176.2	-71.2	-38.7	0	0	0	112.4	Y7 V8	Y7-N11 WeakPolarHBondContact CD2-ND2 3.5Å; Y7-N11 WeakPolarHBondContact CE1-ND2 3.34Å; Y7-N11 WeakPolarHBondContact CE2-ND2 3.5Å; Y7-N11 PolarHBondContact O-N 3.46Å; Y7-N11 VanDerWaalsContact O-N 3.12Å; Y7-N11 PolarHBondContact O-ND2 3.24Å; Y7-N11 VanDerWaalsContact O-ND2 3.1Å; V8-N11 PolarHBondContact O-N 3.4Å
12	L	49.4	Very low	44.7	Very low	34 Å²	34	85.2 Å²	85.2	18%	0.178	42%	0.423	C	S	.	.	H	α-helix	trans	-89.4	-16.2	-179.9	-65.8	172.7	0	0	0	113.3	V8 L9 K10 Q14 N15 V130 T134 L135 A138	V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 WeakPolarHBondContact O-CB 3.41Å; V8-L12 VanDerWaalsContact O-CD1 3.32Å; V8-L12 WeakPolarHBondContact O-CD1 3.36Å; V8-L12 WeakPolarHBondContact O-CG 3.25Å; V8-L12 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 3.41Å; K10-L12 VanDerWaalsContact C-N 3.3Å; L12-Q14 PolarHBondContact O-N 3.2Å; L12-N15 PolarHBondContact O-N 2.9Å; L12-N15 VanDerWaalsContact O-N 3.1Å; L12-V130 HydrophobicContact CB-CG2 4.31Å; L12-V130 HydrophobicContact CD1-CG1 3.83Å; L12-V130 HydrophobicContact CD1-CG2 4.19Å; L12-T134 HydrophobicContact CD1-CG2 3.79Å; L12-T134 HydrophobicContact CD2-CG2 3.39Å; L12-T134 HydrophobicContact CG-CG2 4.22Å; L12-L135 HydrophobicContact CD1-CD2 4Å; L12-A138 HydrophobicContact CD1-CB 4.43Å
13	S	44.2	Very low	45.9	Very low	98 Å²	98	80.2 Å²	80.2	69%	0.685	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	3.1	-175.8	68.8	0	0	0	0	115.1	L9 K10	L9-S13 PolarHBondContact O-N 3.5Å; K10-S13 PolarHBondContact O-OG 2.83Å
14	Q	39.5	Very low	46.5	Very low	163 Å²	163	71.9 Å²	71.9	76%	0.762	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-9.3	174	-73.7	-173.4	-17.4	0	0	114.9	L12	L12-Q14 PolarHBondContact O-N 3.2Å
15	N	34.4	Very low	47	Very low	129 Å²	129	65.6 Å²	65.6	69%	0.69	35%	0.351	S	S	*	.			trans	-139.8	75.4	-169.1	-71.2	-43	0	0	0	113.2	L12	L12-N15 PolarHBondContact O-N 2.9Å; L12-N15 VanDerWaalsContact O-N 3.1Å
16	C	35.3	Very low	47.2	Very low	54 Å²	54	69.6 Å²	69.6	37%	0.365	37%	0.37	S	S	.	.			trans	-155.2	117.8	167.2	-84.8	0	0	0	0	111.2	V39	C16-V39 CarbonylContact C-O 3.54Å; C16-V39 VanDerWaalsContact O-CB 3.28Å; C16-V39 WeakPolarHBondContact O-CB 3.27Å; C16-V39 WeakPolarHBondContact O-CG1 3.41Å
17	I	37.3	Very low	46.7	Very low	40 Å²	40	68.1 Å²	68.1	21%	0.205	37%	0.374	C	S	.	.	S	Bend	trans	111.7	116.2	159.9	-56.1	165.2	0	0	0	119	V39 G40 V47 F48 K49 L127	I17-V39 CarbonylContact C-O 3.49Å; I17-V39 WeakPolarHBondContact CA-O 3.32Å; I17-V39 HydrophobicContact CB-CB 4.3Å; I17-V39 PolarHBondContact N-O 3.24Å; I17-V39 CarbonylContact O-C 3.54Å; I17-V39 WeakPolarHBondContact O-CA 3.27Å; I17-V39 WeakPolarHBondContact O-CB 3.49Å; I17-V39 PolarHBondContact O-N 3.02Å; I17-G40 PolarHBondContact O-N 3.35Å; I17-G40 VanDerWaalsContact O-N 3.11Å; I17-V47 WeakPolarHBondContact CG2-O 3.45Å; I17-F48 VanDerWaalsContact CG2-C 3.44Å; I17-K49 HydrophobicContact CD1-CB 3.98Å; I17-K49 HydrophobicContact CG2-CB 4.2Å; I17-L127 HydrophobicContact CD1-CD1 3.87Å
18	Q	45.8	Very low	46.7	Very low	51 Å²	51	65.4 Å²	65.4	24%	0.238	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-80.9	171.9	-145.1	-54.3	176.4	-8.4	0	0	117.4	G40 G42 F48	Q18-G40 CarbonylContact C-O 3.48Å; Q18-G40 WeakPolarHBondContact CA-O 3.39Å; Q18-G42 VanDerWaalsContact CG-N 3.29Å; Q18-G42 VanDerWaalsContact NE2-C 3.26Å; Q18-G42 PolarHBondContact OE1-O 2.99Å; Q18-F48 WeakPolarHBondContact O-CD1 3.4Å; Q18-F48 WeakPolarHBondContact O-CE1 3.49Å
19	N	40.1	Very low	46.8	Very low	48 Å²	48	69.2 Å²	69.2	26%	0.257	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-53.9	135.4	-178.7	-78.2	-32.1	0	0	0	113	K38 G40 Q41 Q46 F48	N19-K38 WeakPolarHBondContact OD1-CE 3.24Å; N19-G40 PolarHBondContact N-O 3.44Å; N19-Q41 VanDerWaalsContact ND2-CD 3.28Å; N19-Q41 WeakPolarHBondContact ND2-CG 3.38Å; N19-Q41 PolarHBondContact ND2-NE2 3.49Å; N19-Q41 VanDerWaalsContact ND2-NE2 3.19Å; N19-Q46 PolarHBondContact O-OE1 3Å; N19-Q46 VanDerWaalsContact O-OE1 3.07Å; N19-F48 WeakPolarHBondContact O-CE1 3.48Å
20	L	46.1	Very low	47.1	Very low	25 Å²	25	67.9 Å²	67.9	13%	0.131	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-58.4	148.1	173.8	-64.5	164.9	0	0	0	111.8	L24 V25 N26 M36 F48	L20-L24 HydrophobicContact CB-CB 4.15Å; L20-L24 WeakPolarHBondContact CB-O 3.33Å; L20-L24 WeakPolarHBondContact CD1-O 3.33Å; L20-L24 HydrophobicContact CD2-CB 4.36Å; L20-V25 VanDerWaalsContact CD1-C 3.5Å; L20-N26 VanDerWaalsContact CD1-CA 3.43Å; L20-N26 HydrophobicContact CD1-CB 4.19Å; L20-M36 HydrophobicContact CD2-CB 3.65Å; L20-M36 HydrophobicContact CD2-CE 3.25Å; L20-M36 HydrophobicContact CD2-CG 4.22Å; L20-M36 HydrophobicContact CD2-SD 3.56Å; L20-M36 VanDerWaalsContact CD2-SD 3.56Å; L20-F48 HydrophobicContact CD2-CD1 4.01Å; L20-F48 HydrophobicContact CD2-CE1 4.12Å
21	P	47.1	Very low	47.6	Very low	5 Å²	5	64.8 Å²	64.8	3%	0.032	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-50.9	148.3	167.3	-22.2	33.4	0	0	0	110	H23 L24 F48	P21-H23 WeakPolarHBondContact CB-CE1 3.34Å; P21-H23 PolarHBondContact O-N 3.3Å; P21-L24 HydrophobicContact CB-CD1 4.36Å; P21-L24 HydrophobicContact CB-CG 4.28Å; P21-L24 HydrophobicContact CG-CD1 3.72Å; P21-L24 HydrophobicContact CG-CG 4.16Å; P21-L24 CarbonylContact O-C 3.57Å; P21-L24 PolarHBondContact O-N 3Å; P21-L24 VanDerWaalsContact O-O 3.13Å; P21-F48 VanDerWaalsContact CD-CZ 3.44Å; P21-F48 HydrophobicContact CG-CE2 4.37Å; P21-F48 HydrophobicContact CG-CZ 4.04Å
22	P	50.8	Low	48.3	Very low	137 Å²	137	64.8 Å²	64.8	89%	0.89	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.1	-176.4	-25.7	32.3	0	0	0	114.6
23	H	52.8	Low	49.1	Very low	90 Å²	90	64.2 Å²	64.2	42%	0.417	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.3	178.5	60.9	-90.9	0	0	0	114.1	P21 L120	P21-H23 WeakPolarHBondContact CB-CE1 3.34Å; P21-H23 PolarHBondContact O-N 3.3Å; H23-L120 WeakPolarHBondContact NE2-CD1 3.33Å
24	L	50.2	Low	50.2	Low	4 Å²	4	59.6 Å²	59.6	2%	0.021	34%	0.34	C	S	.	.			trans	-114.4	102.8	173.5	-54.8	-179.8	0	0	0	107.8	L20 P21 T28 L30 M36 L120	L20-L24 HydrophobicContact CB-CB 4.15Å; L20-L24 WeakPolarHBondContact CB-O 3.33Å; L20-L24 WeakPolarHBondContact CD1-O 3.33Å; L20-L24 HydrophobicContact CD2-CB 4.36Å; P21-L24 HydrophobicContact CB-CD1 4.36Å; P21-L24 HydrophobicContact CB-CG 4.28Å; P21-L24 HydrophobicContact CG-CD1 3.72Å; P21-L24 HydrophobicContact CG-CG 4.16Å; P21-L24 CarbonylContact O-C 3.57Å; P21-L24 PolarHBondContact O-N 3Å; P21-L24 VanDerWaalsContact O-O 3.13Å; L24-T28 HydrophobicContact CD2-CG2 3.71Å; L24-L30 HydrophobicContact CD1-CD1 3.44Å; L24-L30 VanDerWaalsContact CD1-CD1 3.44Å; L24-L30 HydrophobicContact CD2-CD1 3.76Å; L24-L30 HydrophobicContact CG-CD1 4.29Å; L24-M36 HydrophobicContact CD1-CE 4.34Å; L24-M36 HydrophobicContact CD1-SD 3.72Å; L24-L120 HydrophobicContact CD1-CD1 4.45Å
25	V	50.1	Low	51.4	Low	106 Å²	106	56.5 Å²	56.5	64%	0.642	33%	0.326	S	S	*	.			trans	-75.3	155.7	171	-170.7	0	0	0	0	109.1	L20 G27 T28	L20-V25 VanDerWaalsContact CD1-C 3.5Å; V25-G27 PolarHBondContact O-N 2.94Å; V25-T28 WeakPolarHBondContact CA-OG1 3.42Å; V25-T28 PolarHBondContact N-OG1 3.22Å; V25-T28 WeakPolarHBondContact O-CB 3.48Å; V25-T28 PolarHBondContact O-N 3.38Å; V25-T28 PolarHBondContact O-OG1 2.85Å
26	N	49.2	Very low	52.8	Low	96 Å²	96	50.4 Å²	50.4	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	127.8	174.2	-150.9	16.9	0	0	0	110.1	L20 M36 A37 K38	L20-N26 VanDerWaalsContact CD1-CA 3.43Å; L20-N26 HydrophobicContact CD1-CB 4.19Å; N26-M36 PolarHBondContact OD1-O 2.77Å; N26-A37 WeakPolarHBondContact OD1-CA 3.47Å; N26-K38 PolarHBondContact OD1-N 3.47Å
27	G	48.4	Very low	53.7	Low	36 Å²	36	50.2 Å²	50.2	37%	0.371	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	2.4	-171.7	0	0	0	0	0	116	V25 L29 M36	V25-G27 PolarHBondContact O-N 2.94Å; G27-L29 PolarHBondContact O-N 3.06Å; G27-M36 PolarHBondContact N-O 2.93Å; G27-M36 VanDerWaalsContact N-O 3.13Å
28	T	55.6	Low	54.2	Low	32 Å²	32	54 Å²	54	20%	0.196	31%	0.311	C	S	.	.			trans	-67.7	128.8	174.7	-59.4	0	0	0	0	110.4	L24 V25 L30	L24-T28 HydrophobicContact CD2-CG2 3.71Å; V25-T28 WeakPolarHBondContact CA-OG1 3.42Å; V25-T28 PolarHBondContact N-OG1 3.22Å; V25-T28 WeakPolarHBondContact O-CB 3.48Å; V25-T28 PolarHBondContact O-N 3.38Å; V25-T28 PolarHBondContact O-OG1 2.85Å; T28-L30 PolarHBondContact O-N 2.9Å
29	L	57	Low	54.2	Low	79 Å²	79	54 Å²	54	41%	0.414	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-75.1	111.2	171.1	-68.9	167.1	0	0	0	108.9	G27 L34 I53	G27-L29 PolarHBondContact O-N 3.06Å; L29-L34 WeakPolarHBondContact CA-O 3.48Å; L29-I53 HydrophobicContact CD2-CD1 3.99Å
30	L	60.6	Low	54.2	Low	5 Å²	5	53.1 Å²	53.1	3%	0.026	32%	0.316	C	S	.	.	S	Bend	trans	-70.5	-39.1	170	-165.6	83.5	0	0	0	110.3	L24 T28 M36 L61 C117 L120 Y122	L24-L30 HydrophobicContact CD1-CD1 3.44Å; L24-L30 VanDerWaalsContact CD1-CD1 3.44Å; L24-L30 HydrophobicContact CD2-CD1 3.76Å; L24-L30 HydrophobicContact CG-CD1 4.29Å; T28-L30 PolarHBondContact O-N 2.9Å; L30-M36 HydrophobicContact CB-SD 4.46Å; L30-L61 HydrophobicContact CD2-CD2 3.73Å; L30-C117 HydrophobicContact CG-CB 4.32Å; L30-C117 PolarHBondContact O-SG 3.44Å; L30-L120 HydrophobicContact CD1-CD1 4.4Å; L30-Y122 HydrophobicContact CD2-CD1 4.14Å; L30-Y122 HydrophobicContact CD2-CG 4.31Å
31	L	59.6	Low	53.8	Low	36 Å²	36	59.4 Å²	59.4	19%	0.188	35%	0.345	C	S	.	.	S	Bend	trans	-134.8	32.1	-168.5	-63.4	172.3	0	0	0	114.2	T33 L34 Y113 C117 Y122	L31-T33 PolarHBondContact O-N 2.96Å; L31-T33 PolarHBondContact O-OG1 3.1Å; L31-L34 HydrophobicContact CD1-CD1 3.64Å; L31-L34 HydrophobicContact CD1-CG 4.25Å; L31-L34 HydrophobicContact CG-CD1 4.39Å; L31-Y113 HydrophobicContact CD1-CE2 4.13Å; L31-C117 HydrophobicContact CD2-CB 3.86Å; L31-Y122 HydrophobicContact CD1-CE1 4.19Å; L31-Y122 HydrophobicContact CD1-CE2 3.56Å; L31-Y122 WeakPolarHBondContact CD1-OH 3.32Å; L31-Y122 HydrophobicContact CD2-CE1 3.87Å; L31-Y122 VanDerWaalsContact CD2-OH 3.23Å; L31-Y122 WeakPolarHBondContact CD2-OH 3.41Å; L31-Y122 HydrophobicContact CG-CE1 4.45Å
32	S	61.7	Low	53.4	Low	93 Å²	93	61.3 Å²	61.3	65%	0.65	37%	0.365	S	S	*	.	S	Bend	trans	52.7	-4.9	-167.5	68.6	0	0	0	0	116.1
33	T	65.2	Low	52.5	Low	22 Å²	22	57.5 Å²	57.5	14%	0.135	35%	0.35	C	S	.	.	S	Bend	trans	-132.4	-17.5	-170.1	54.2	0	0	0	0	113.4	L31 I53 R54	L31-T33 PolarHBondContact O-N 2.96Å; L31-T33 PolarHBondContact O-OG1 3.1Å; T33-I53 WeakPolarHBondContact O-CB 3.26Å; T33-I53 WeakPolarHBondContact O-CG1 3.49Å; T33-I53 PolarHBondContact O-N 2.92Å; T33-R54 HydrophobicContact CG2-CG 4.09Å
34	L	67.3	Low	51.8	Low	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.2	176.6	-74.9	-177	0	0	0	110.3	L29 L31 A50 E52 V59 L61 Y113	L29-L34 WeakPolarHBondContact CA-O 3.48Å; L31-L34 HydrophobicContact CD1-CD1 3.64Å; L31-L34 HydrophobicContact CD1-CG 4.25Å; L31-L34 HydrophobicContact CG-CD1 4.39Å; L34-A50 HydrophobicContact CD2-CB 4.05Å; L34-E52 HydrophobicContact CD2-CB 3.86Å; L34-E52 HydrophobicContact CD2-CG 4.22Å; L34-V59 HydrophobicContact CD2-CG2 4.01Å; L34-L61 HydrophobicContact CD1-CD1 3.98Å; L34-L61 HydrophobicContact CD1-CD2 4.36Å; L34-Y113 HydrophobicContact CD1-CE2 4.47Å; L34-Y113 WeakPolarHBondContact CD2-OH 3.33Å
35	Q	64.2	Low	52	Low	98 Å²	98	65.3 Å²	65.3	46%	0.458	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.8	168.7	-170.8	178	18	0	0	109	A50 Y51 I53	Q35-A50 WeakPolarHBondContact O-CA 3.31Å; Q35-Y51 PolarHBondContact N-O 3Å; Q35-Y51 PolarHBondContact O-N 3.06Å; Q35-I53 HydrophobicContact CB-CD1 4.46Å
36	M	64.2	Low	52.8	Low	2 Å²	2	63.7 Å²	63.7	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136	179.5	-54.5	-179.1	76.5	0	0	110.8	L20 L24 N26 G27 L30 F48 A50 L61	L20-M36 HydrophobicContact CD2-CB 3.65Å; L20-M36 HydrophobicContact CD2-CE 3.25Å; L20-M36 HydrophobicContact CD2-CG 4.22Å; L20-M36 HydrophobicContact CD2-SD 3.56Å; L20-M36 VanDerWaalsContact CD2-SD 3.56Å; L24-M36 HydrophobicContact CD1-CE 4.34Å; L24-M36 HydrophobicContact CD1-SD 3.72Å; N26-M36 PolarHBondContact OD1-O 2.77Å; G27-M36 PolarHBondContact N-O 2.93Å; G27-M36 VanDerWaalsContact N-O 3.13Å; L30-M36 HydrophobicContact CB-SD 4.46Å; M36-F48 HydrophobicContact CE-CB 3.46Å; M36-F48 VanDerWaalsContact CE-CB 3.46Å; M36-F48 HydrophobicContact CE-CD1 3.63Å; M36-F48 HydrophobicContact CE-CD2 3.56Å; M36-F48 HydrophobicContact CE-CE1 4.27Å; M36-F48 HydrophobicContact CE-CE2 4.19Å; M36-F48 HydrophobicContact CE-CG 3.22Å; M36-A50 HydrophobicContact CG-CB 4.47Å; M36-L61 HydrophobicContact CE-CD2 4.17Å
37	A	54.5	Low	54.1	Low	49 Å²	49	61.3 Å²	61.3	41%	0.405	36%	0.36	S	S	.	.			trans	-115.1	129.9	171	0	0	0	0	0	109.5	N26 K49	N26-A37 WeakPolarHBondContact OD1-CA 3.47Å; A37-K49 PolarHBondContact N-O 3.37Å
38	K	46.9	Very low	55.4	Low	121 Å²	121	59.8 Å²	59.8	53%	0.526	34%	0.343	S	S	.	.			trans	-67.9	128.5	176.6	-173.9	-176.6	-174.2	-179.5	0	111.3	N19 N26	N19-K38 WeakPolarHBondContact OD1-CE 3.24Å; N26-K38 PolarHBondContact OD1-N 3.47Å
39	V	45.6	Very low	56.6	Low	49 Å²	49	59.9 Å²	59.9	30%	0.297	34%	0.341	S	S	.	.			trans	-141.2	47	179.1	-157	0	0	0	0	114.4	C16 I17 K49	C16-V39 CarbonylContact C-O 3.54Å; C16-V39 VanDerWaalsContact O-CB 3.28Å; C16-V39 WeakPolarHBondContact O-CB 3.27Å; C16-V39 WeakPolarHBondContact O-CG1 3.41Å; I17-V39 CarbonylContact C-O 3.49Å; I17-V39 WeakPolarHBondContact CA-O 3.32Å; I17-V39 HydrophobicContact CB-CB 4.3Å; I17-V39 PolarHBondContact N-O 3.24Å; I17-V39 CarbonylContact O-C 3.54Å; I17-V39 WeakPolarHBondContact O-CA 3.27Å; I17-V39 WeakPolarHBondContact O-CB 3.49Å; I17-V39 PolarHBondContact O-N 3.02Å; V39-K49 HydrophobicContact CG2-CB 4.37Å; V39-K49 HydrophobicContact CG2-CD 4.38Å
40	G	41.9	Very low	57.8	Low	30 Å²	30	56.2 Å²	56.2	31%	0.309	32%	0.322	S	S	.	.			trans	117.3	-161.7	174.8	0	0	0	0	0	115	I17 Q18 N19	I17-G40 PolarHBondContact O-N 3.35Å; I17-G40 VanDerWaalsContact O-N 3.11Å; Q18-G40 CarbonylContact C-O 3.48Å; Q18-G40 WeakPolarHBondContact CA-O 3.39Å; N19-G40 PolarHBondContact N-O 3.44Å
41	Q	37	Very low	58.8	Low	158 Å²	158	59.3 Å²	59.3	74%	0.738	33%	0.334	S	S	*	.			trans	-152.7	148.9	-168.5	-169.7	172.6	20	0	0	113.8	N19	N19-Q41 VanDerWaalsContact ND2-CD 3.28Å; N19-Q41 WeakPolarHBondContact ND2-CG 3.38Å; N19-Q41 PolarHBondContact ND2-NE2 3.49Å; N19-Q41 VanDerWaalsContact ND2-NE2 3.19Å
42	G	38	Very low	59.9	Low	44 Å²	44	58.2 Å²	58.2	45%	0.454	33%	0.328	S	S	.	.			trans	169.6	-168.2	171	0	0	0	0	0	112.3	Q18	Q18-G42 VanDerWaalsContact CG-N 3.29Å; Q18-G42 VanDerWaalsContact NE2-C 3.26Å; Q18-G42 PolarHBondContact OE1-O 2.99Å
43	G	32.4	Very low	60.8	Low	57 Å²	57	57.4 Å²	57.4	59%	0.588	32%	0.315	S	S	*	.			trans	-130.3	145.9	-161.5	0	0	0	0	0	117.3
44	Y	38.1	Very low	61.6	Low	233 Å²	233	66.1 Å²	66.1	91%	0.914	35%	0.346	S	S	*	.	S	Bend	trans	74.6	115.1	176.2	-53.5	-78.6	0	0	0	117.3
45	G	54.5	Low	62.5	Low	26 Å²	26	72 Å²	72	27%	0.268	37%	0.371	S	S	.	.	S	Bend	trans	61.7	112.2	-170.6	0	0	0	0	0	110.7	V47	G45-V47 PolarHBondContact O-N 2.95Å
46	Q	67.3	Low	63.6	Low	71 Å²	71	75.2 Å²	75.2	33%	0.332	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	109.6	-171.3	-66	173.2	74.1	0	0	110.1	N19 F48 K62 V63	N19-Q46 PolarHBondContact O-OE1 3Å; N19-Q46 VanDerWaalsContact O-OE1 3.07Å; Q46-F48 HydrophobicContact CB-CD2 4.32Å; Q46-F48 HydrophobicContact CB-CE1 4.32Å; Q46-F48 HydrophobicContact CB-CE2 3.35Å; Q46-F48 HydrophobicContact CB-CZ 3.33Å; Q46-F48 HydrophobicContact CG-CZ 4.14Å; Q46-F48 WeakPolarHBondContact O-CD2 3.19Å; Q46-F48 WeakPolarHBondContact O-CE2 3.39Å; Q46-K62 CarbonylContact O-C 3.57Å; Q46-K62 WeakPolarHBondContact O-CA 3.27Å; Q46-V63 PolarHBondContact N-O 2.81Å; Q46-V63 PolarHBondContact O-N 3.15Å
47	V	75.6	Confident	64.6	Low	47 Å²	47	77.5 Å²	77.5	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.9	168	-176	0	0	0	0	108.7	I17 G45 A60 L61 K62 F125	I17-V47 WeakPolarHBondContact CG2-O 3.45Å; G45-V47 PolarHBondContact O-N 2.95Å; V47-A60 HydrophobicContact CG1-CB 4.14Å; V47-L61 CarbonylContact C-O 3.46Å; V47-L61 VanDerWaalsContact CA-O 3.3Å; V47-L61 WeakPolarHBondContact CA-O 3.49Å; V47-K62 HydrophobicContact CG2-CB 4.09Å; V47-K62 HydrophobicContact CG2-CD 4.17Å; V47-K62 HydrophobicContact CG2-CG 3.99Å; V47-F125 HydrophobicContact CG1-CE1 4.33Å; V47-F125 HydrophobicContact CG1-CZ 4.1Å
48	F	76.4	Confident	66	Low	3 Å²	3	81 Å²	81	1%	0.013	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.4	-178.4	-62.5	-75.1	0	0	0	112.3	I17 Q18 N19 L20 P21 M36 Q46 A60 L61 V63	I17-F48 VanDerWaalsContact CG2-C 3.44Å; Q18-F48 WeakPolarHBondContact O-CD1 3.4Å; Q18-F48 WeakPolarHBondContact O-CE1 3.49Å; N19-F48 WeakPolarHBondContact O-CE1 3.48Å; L20-F48 HydrophobicContact CD2-CD1 4.01Å; L20-F48 HydrophobicContact CD2-CE1 4.12Å; P21-F48 VanDerWaalsContact CD-CZ 3.44Å; P21-F48 HydrophobicContact CG-CE2 4.37Å; P21-F48 HydrophobicContact CG-CZ 4.04Å; M36-F48 HydrophobicContact CE-CB 3.46Å; M36-F48 VanDerWaalsContact CE-CB 3.46Å; M36-F48 HydrophobicContact CE-CD1 3.63Å; M36-F48 HydrophobicContact CE-CD2 3.56Å; M36-F48 HydrophobicContact CE-CE1 4.27Å; M36-F48 HydrophobicContact CE-CE2 4.19Å; M36-F48 HydrophobicContact CE-CG 3.22Å; Q46-F48 HydrophobicContact CB-CD2 4.32Å; Q46-F48 HydrophobicContact CB-CE1 4.32Å; Q46-F48 HydrophobicContact CB-CE2 3.35Å; Q46-F48 HydrophobicContact CB-CZ 3.33Å; Q46-F48 HydrophobicContact CG-CZ 4.14Å; Q46-F48 WeakPolarHBondContact O-CD2 3.19Å; Q46-F48 WeakPolarHBondContact O-CE2 3.39Å; F48-A60 CarbonylContact O-C 3.55Å; F48-A60 VanDerWaalsContact O-CA 3.29Å; F48-A60 WeakPolarHBondContact O-CA 3.48Å; F48-L61 HydrophobicContact CB-CB 4.26Å; F48-L61 PolarHBondContact N-O 2.97Å; F48-L61 PolarHBondContact O-N 3.23Å; F48-V63 HydrophobicContact CD2-CB 4.29Å; F48-V63 HydrophobicContact CD2-CG2 3.64Å; F48-V63 HydrophobicContact CE2-CB 3.94Å; F48-V63 HydrophobicContact CE2-CG2 3.76Å
49	K	80.7	Confident	67.9	Low	35 Å²	35	75.2 Å²	75.2	15%	0.152	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.6	166.3	-176.9	175.3	176	177.8	0	107.4	I17 A37 V39 Y58 L127 Y182	I17-K49 HydrophobicContact CD1-CB 3.98Å; I17-K49 HydrophobicContact CG2-CB 4.2Å; A37-K49 PolarHBondContact N-O 3.37Å; V39-K49 HydrophobicContact CG2-CB 4.37Å; V39-K49 HydrophobicContact CG2-CD 4.38Å; K49-Y58 HydrophobicContact CD-CD1 4.42Å; K49-Y58 HydrophobicContact CG-CD1 4.21Å; K49-L127 HydrophobicContact CD-CD2 4.02Å; K49-L127 HydrophobicContact CG-CD1 4.22Å; K49-L127 HydrophobicContact CG-CD2 4.14Å; K49-Y182 PolarHBondContact NZ-OH 3.17Å
50	A	82.2	Confident	69.9	Low	1 Å²	1	73 Å²	73	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151	176.8	0	0	0	0	0	110.3	L34 Q35 M36 Y58 V59	L34-A50 HydrophobicContact CD2-CB 4.05Å; Q35-A50 WeakPolarHBondContact O-CA 3.31Å; M36-A50 HydrophobicContact CG-CB 4.47Å; A50-Y58 CarbonylContact O-C 3.12Å; A50-Y58 VanDerWaalsContact O-CA 3.31Å; A50-Y58 WeakPolarHBondContact O-CA 3.49Å; A50-V59 HydrophobicContact CB-CG2 3.95Å; A50-V59 PolarHBondContact N-O 3.4Å; A50-V59 PolarHBondContact O-N 2.92Å
51	Y	80.3	Confident	72	Confident	70 Å²	70	71.6 Å²	71.6	28%	0.275	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.1	169.5	-175	-105	0	0	0	108.8	Q35 I53 K56 R57 Y58	Q35-Y51 PolarHBondContact N-O 3Å; Q35-Y51 PolarHBondContact O-N 3.06Å; Y51-I53 HydrophobicContact CD1-CG1 4.34Å; Y51-I53 PolarHBondContact O-N 3.24Å; Y51-K56 VanDerWaalsContact OH-CA 3.31Å; Y51-K56 WeakPolarHBondContact OH-CA 3.29Å; Y51-K56 WeakPolarHBondContact OH-CB 3.48Å; Y51-R57 WeakPolarHBondContact CD2-O 3.24Å; Y51-Y58 AromaticContact CD2-CD1 3.91Å; Y51-Y58 HydrophobicContact CD2-CD1 3.91Å; Y51-Y58 HydrophobicContact CD2-CD2 4.26Å; Y51-Y58 AromaticContact CD2-CE1 3.77Å; Y51-Y58 HydrophobicContact CD2-CE1 3.77Å; Y51-Y58 HydrophobicContact CD2-CE2 4.13Å; Y51-Y58 HydrophobicContact CD2-CG 4.16Å; Y51-Y58 AromaticContact CD2-CZ 3.88Å; Y51-Y58 HydrophobicContact CE2-CE2 4.45Å; Y51-Y58 HydrophobicContact CG-CD1 4.49Å; Y51-Y58 HydrophobicContact CG-CE1 4.27Å
52	E	84.4	Confident	74.4	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.065	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108	174.6	-172.3	-179.1	179.2	0	0	109.2	L34 R54 K55 K56 R57 V59	L34-E52 HydrophobicContact CD2-CB 3.86Å; L34-E52 HydrophobicContact CD2-CG 4.22Å; E52-R54 PolarHBondContact O-N 3.2Å; E52-K55 HydrophobicContact CG-CB 4.21Å; E52-K55 WeakPolarHBondContact OE1-CD 3.11Å; E52-K55 WeakPolarHBondContact OE1-CG 3.46Å; E52-K56 WeakPolarHBondContact O-CA 3.48Å; E52-K56 PolarHBondContact O-N 2.96Å; E52-R57 HydrophobicContact CB-CG 4.2Å; E52-R57 PolarHBondContact N-O 3.46Å; E52-R57 PolarHBondContact O-N 3.15Å; E52-R57 IonicContact OE2-CZ 3.05Å; E52-R57 IonicContact OE2-NE 3.04Å; E52-R57 PolarHBondContact OE2-NE 3.41Å; E52-R57 IonicContact OE2-NH2 3.34Å; E52-R57 PolarHBondContact OE2-NH2 3.22Å; E52-V59 HydrophobicContact CB-CG1 4.46Å
53	I	79.7	Confident	76.5	Confident	76 Å²	76	63 Å²	63	39%	0.39	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-46.9	-171.6	-62.5	168.4	0	0	0	110.9	L29 T33 Q35 Y51 K56	L29-I53 HydrophobicContact CD2-CD1 3.99Å; T33-I53 WeakPolarHBondContact O-CB 3.26Å; T33-I53 WeakPolarHBondContact O-CG1 3.49Å; T33-I53 PolarHBondContact O-N 2.92Å; Q35-I53 HydrophobicContact CB-CD1 4.46Å; Y51-I53 HydrophobicContact CD1-CG1 4.34Å; Y51-I53 PolarHBondContact O-N 3.24Å; I53-K56 WeakPolarHBondContact O-CG 3.08Å; I53-K56 PolarHBondContact O-N 3.37Å
54	R	82.9	Confident	79	Confident	205 Å²	205	61.5 Å²	61.5	77%	0.774	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-45.7	-176.5	-74.2	-173.2	174.4	173.5	-1.5	112.4	T33 E52	T33-R54 HydrophobicContact CG2-CG 4.09Å; E52-R54 PolarHBondContact O-N 3.2Å
55	K	86.2	Confident	81.1	Confident	123 Å²	123	56.8 Å²	56.8	54%	0.535	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.9	179.7	-65.5	-169.8	-176.4	179	0	113.7	E52 R57	E52-K55 HydrophobicContact CG-CB 4.21Å; E52-K55 WeakPolarHBondContact OE1-CD 3.11Å; E52-K55 WeakPolarHBondContact OE1-CG 3.46Å; K55-R57 VanDerWaalsContact C-N 3.32Å; K55-R57 HydrophobicContact CB-CG 3.91Å; K55-R57 PolarHBondContact O-N 2.87Å
56	K	85.6	Confident	82.4	Confident	166 Å²	166	58.3 Å²	58.3	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	48.7	-179.1	-62.2	-176.5	179.4	179	0	113.6	Y51 E52 I53	Y51-K56 VanDerWaalsContact OH-CA 3.31Å; Y51-K56 WeakPolarHBondContact OH-CA 3.29Å; Y51-K56 WeakPolarHBondContact OH-CB 3.48Å; E52-K56 WeakPolarHBondContact O-CA 3.48Å; E52-K56 PolarHBondContact O-N 2.96Å; I53-K56 WeakPolarHBondContact O-CG 3.08Å; I53-K56 PolarHBondContact O-N 3.37Å
57	R	86.3	Confident	83.2	Confident	50 Å²	50	60.8 Å²	60.8	19%	0.189	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.8	-175.3	67.6	-177.4	-175.5	138.6	10.8	112.2	Y51 E52 K55 V59 Y112	Y51-R57 WeakPolarHBondContact CD2-O 3.24Å; E52-R57 HydrophobicContact CB-CG 4.2Å; E52-R57 PolarHBondContact N-O 3.46Å; E52-R57 PolarHBondContact O-N 3.15Å; E52-R57 IonicContact OE2-CZ 3.05Å; E52-R57 IonicContact OE2-NE 3.04Å; E52-R57 PolarHBondContact OE2-NE 3.41Å; E52-R57 IonicContact OE2-NH2 3.34Å; E52-R57 PolarHBondContact OE2-NH2 3.22Å; K55-R57 VanDerWaalsContact C-N 3.32Å; K55-R57 HydrophobicContact CB-CG 3.91Å; K55-R57 PolarHBondContact O-N 2.87Å; R57-V59 HydrophobicContact CG-CG1 4.2Å; R57-Y112 PolarHBondContact NH1-OH 2.91Å
58	Y	84.5	Confident	83.5	Confident	121 Å²	121	62 Å²	62	48%	0.475	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141	169.4	-67.7	-78.5	0	0	0	111.1	K49 A50 Y51 L127	K49-Y58 HydrophobicContact CD-CD1 4.42Å; K49-Y58 HydrophobicContact CG-CD1 4.21Å; A50-Y58 CarbonylContact O-C 3.12Å; A50-Y58 VanDerWaalsContact O-CA 3.31Å; A50-Y58 WeakPolarHBondContact O-CA 3.49Å; Y51-Y58 AromaticContact CD2-CD1 3.91Å; Y51-Y58 HydrophobicContact CD2-CD1 3.91Å; Y51-Y58 HydrophobicContact CD2-CD2 4.26Å; Y51-Y58 AromaticContact CD2-CE1 3.77Å; Y51-Y58 HydrophobicContact CD2-CE1 3.77Å; Y51-Y58 HydrophobicContact CD2-CE2 4.13Å; Y51-Y58 HydrophobicContact CD2-CG 4.16Å; Y51-Y58 AromaticContact CD2-CZ 3.88Å; Y51-Y58 HydrophobicContact CE2-CE2 4.45Å; Y51-Y58 HydrophobicContact CG-CD1 4.49Å; Y51-Y58 HydrophobicContact CG-CE1 4.27Å; Y58-L127 HydrophobicContact CG-CD2 4.5Å
59	V	86.5	Confident	83.7	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156	176.9	-55.6	0	0	0	0	110	L34 A50 E52 R57 Y112 A124	L34-V59 HydrophobicContact CD2-CG2 4.01Å; A50-V59 HydrophobicContact CB-CG2 3.95Å; A50-V59 PolarHBondContact N-O 3.4Å; A50-V59 PolarHBondContact O-N 2.92Å; E52-V59 HydrophobicContact CB-CG1 4.46Å; R57-V59 HydrophobicContact CG-CG1 4.2Å; V59-Y112 HydrophobicContact CB-CD2 4.15Å; V59-Y112 HydrophobicContact CB-CE2 4.18Å; V59-Y112 HydrophobicContact CG1-CD2 3.7Å; V59-Y112 HydrophobicContact CG1-CE2 3.67Å; V59-A124 HydrophobicContact CG2-CB 4.46Å
60	A	87.6	Confident	83.8	Confident	4 Å²	4	81.9 Å²	81.9	3%	0.033	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.9	162.3	0	0	0	0	0	108.9	V47 F48 A124 F125 L127	V47-A60 HydrophobicContact CG1-CB 4.14Å; F48-A60 CarbonylContact O-C 3.55Å; F48-A60 VanDerWaalsContact O-CA 3.29Å; F48-A60 WeakPolarHBondContact O-CA 3.48Å; A60-A124 CarbonylContact O-C 3.54Å; A60-A124 VanDerWaalsContact O-CA 3.28Å; A60-A124 WeakPolarHBondContact O-CA 3.49Å; A60-F125 HydrophobicContact CB-CD1 3.98Å; A60-F125 HydrophobicContact CB-CD2 4.11Å; A60-F125 HydrophobicContact CB-CE1 3.58Å; A60-F125 HydrophobicContact CB-CE2 3.73Å; A60-F125 HydrophobicContact CB-CG 4.24Å; A60-F125 HydrophobicContact CB-CZ 3.46Å; A60-F125 VanDerWaalsContact CB-CZ 3.46Å; A60-F125 PolarHBondContact N-O 2.98Å; A60-F125 WeakPolarHBondContact O-CD1 3.3Å; A60-F125 PolarHBondContact O-N 3.37Å; A60-L127 HydrophobicContact CB-CD1 4.27Å
61	L	86.5	Confident	83.9	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109	-178.7	-177	82.6	0	0	0	108.9	L30 L34 M36 V47 F48 V63 Y122 Y123 A124	L30-L61 HydrophobicContact CD2-CD2 3.73Å; L34-L61 HydrophobicContact CD1-CD1 3.98Å; L34-L61 HydrophobicContact CD1-CD2 4.36Å; M36-L61 HydrophobicContact CE-CD2 4.17Å; V47-L61 CarbonylContact C-O 3.46Å; V47-L61 VanDerWaalsContact CA-O 3.3Å; V47-L61 WeakPolarHBondContact CA-O 3.49Å; F48-L61 HydrophobicContact CB-CB 4.26Å; F48-L61 PolarHBondContact N-O 2.97Å; F48-L61 PolarHBondContact O-N 3.23Å; L61-V63 HydrophobicContact CD2-CG2 3.6Å; L61-V63 HydrophobicContact CG-CG2 3.73Å; L61-Y122 HydrophobicContact CD1-CD2 3.49Å; L61-Y122 VanDerWaalsContact CD1-CD2 3.49Å; L61-Y122 HydrophobicContact CD1-CE2 4.32Å; L61-Y122 HydrophobicContact CD1-CG 4.08Å; L61-Y123 CarbonylContact C-O 3.57Å; L61-Y123 WeakPolarHBondContact CA-O 3.41Å; L61-A124 HydrophobicContact CD1-CB 4.05Å
62	K	86.2	Confident	84.3	Confident	16 Å²	16	85 Å²	85	7%	0.07	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.8	171.6	-170.1	165.4	179.7	-179.9	0	109.2	Q46 V47 E76 Y122 Y123 F125 D195	Q46-K62 CarbonylContact O-C 3.57Å; Q46-K62 WeakPolarHBondContact O-CA 3.27Å; V47-K62 HydrophobicContact CG2-CB 4.09Å; V47-K62 HydrophobicContact CG2-CD 4.17Å; V47-K62 HydrophobicContact CG2-CG 3.99Å; K62-E76 WeakPolarHBondContact CD-OE2 3.48Å; K62-E76 WeakPolarHBondContact CE-OE2 3.44Å; K62-E76 IonicContact NZ-OE1 2.65Å; K62-E76 PolarHBondContact NZ-OE1 3.47Å; K62-E76 IonicContact NZ-OE2 2.67Å; K62-E76 PolarHBondContact NZ-OE2 2.72Å; K62-Y122 CarbonylContact O-C 3.52Å; K62-Y122 WeakPolarHBondContact O-CA 3.35Å; K62-Y122 WeakPolarHBondContact O-CB 3.48Å; K62-Y123 HydrophobicContact CB-CD1 4.06Å; K62-Y123 HydrophobicContact CB-CE1 3.54Å; K62-Y123 HydrophobicContact CB-CE2 4.27Å; K62-Y123 HydrophobicContact CD-CE1 3.69Å; K62-Y123 VanDerWaalsContact CD-OH 3.23Å; K62-Y123 WeakPolarHBondContact CD-OH 3.05Å; K62-Y123 HydrophobicContact CG-CE1 3.93Å; K62-Y123 PolarHBondContact N-O 2.94Å; K62-Y123 PolarHBondContact O-N 3.32Å; K62-F125 HydrophobicContact CB-CE1 4.23Å; K62-D195 IonicContact NZ-OD1 2.74Å
63	V	83.5	Confident	84.5	Confident	4 Å²	4	84.5 Å²	84.5	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.1	-172.7	-171.8	0	0	0	0	110.5	Q46 F48 L61 L120 N121	Q46-V63 PolarHBondContact N-O 2.81Å; Q46-V63 PolarHBondContact O-N 3.15Å; F48-V63 HydrophobicContact CD2-CB 4.29Å; F48-V63 HydrophobicContact CD2-CG2 3.64Å; F48-V63 HydrophobicContact CE2-CB 3.94Å; F48-V63 HydrophobicContact CE2-CG2 3.76Å; L61-V63 HydrophobicContact CD2-CG2 3.6Å; L61-V63 HydrophobicContact CG-CG2 3.73Å; V63-L120 HydrophobicContact CG1-CB 3.72Å; V63-L120 HydrophobicContact CG1-CD1 3.65Å; V63-L120 HydrophobicContact CG1-CD2 4.06Å; V63-L120 HydrophobicContact CG1-CG 4.02Å; V63-N121 WeakPolarHBondContact CA-O 3.46Å
64	E	83.7	Confident	85.1	Confident	27 Å²	27	86.7 Å²	86.7	13%	0.126	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.8	175.4	-63.9	179.1	174.1	0	0	110.1	S71 R72 I73 L120 N121	E64-S71 WeakPolarHBondContact OE2-CA 3.22Å; E64-S71 VanDerWaalsContact OE2-CB 3.26Å; E64-S71 WeakPolarHBondContact OE2-CB 3.44Å; E64-S71 PolarHBondContact OE2-OG 2.98Å; E64-R72 PolarHBondContact OE2-N 2.88Å; E64-I73 HydrophobicContact CB-CD1 3.7Å; E64-I73 HydrophobicContact CB-CG1 4.31Å; E64-I73 HydrophobicContact CG-CD1 3.77Å; E64-I73 HydrophobicContact CG-CG1 4.04Å; E64-L120 CarbonylContact O-C 3.6Å; E64-L120 VanDerWaalsContact O-CA 3.26Å; E64-L120 WeakPolarHBondContact O-CA 2.95Å; E64-N121 PolarHBondContact N-O 3.33Å; E64-N121 PolarHBondContact O-N 3.44Å; E64-N121 VanDerWaalsContact O-O 3.13Å
65	K	82.6	Confident	85.6	Confident	133 Å²	133	78.8 Å²	78.8	58%	0.578	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.9	176.3	-67.7	179.4	179.3	179.4	0	109.7	T67 D68 L120	K65-T67 PolarHBondContact O-N 3.28Å; K65-D68 HydrophobicContact CB-CB 4.29Å; K65-D68 WeakPolarHBondContact O-CB 3.16Å; K65-D68 PolarHBondContact O-N 3.48Å; K65-L120 HydrophobicContact CB-CD2 4.47Å; K65-L120 HydrophobicContact CG-CD2 3.88Å
66	V	81.7	Confident	86	Confident	59 Å²	59	73 Å²	73	36%	0.358	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.4	174.8	174.8	0	0	0	0	111.3	D68 E116 G119	V66-D68 VanDerWaalsContact C-N 3.27Å; V66-D68 PolarHBondContact O-N 3.43Å; V66-E116 HydrophobicContact CG2-CG 3.69Å; V66-G119 VanDerWaalsContact CG2-C 3.4Å; V66-G119 WeakPolarHBondContact CG2-O 3.48Å; V66-G119 PolarHBondContact N-O 3.33Å
67	T	83.4	Confident	86.4	Confident	122 Å²	122	65.7 Å²	65.7	75%	0.748	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-7.6	179.7	54.8	0	0	0	0	114.2	K65 R69	K65-T67 PolarHBondContact O-N 3.28Å; T67-R69 PolarHBondContact O-N 3.08Å
68	D	82.5	Confident	86.8	Confident	74 Å²	74	67.4 Å²	67.4	40%	0.396	31%	0.309	S	S	.	.			trans	-79	104.5	178.6	-167.6	-11.5	0	0	0	110.4	K65 V66 R70 S71	K65-D68 HydrophobicContact CB-CB 4.29Å; K65-D68 WeakPolarHBondContact O-CB 3.16Å; K65-D68 PolarHBondContact O-N 3.48Å; V66-D68 VanDerWaalsContact C-N 3.27Å; V66-D68 PolarHBondContact O-N 3.43Å; D68-R70 PolarHBondContact O-N 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 3.27Å; D68-R70 PolarHBondContact OD1-N 3.43Å; D68-S71 WeakPolarHBondContact O-CB 3.45Å; D68-S71 PolarHBondContact O-N 3.48Å
69	R	81.1	Confident	87.3	Confident	252 Å²	252	61.6 Å²	61.6	95%	0.951	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.2	176.5	-63.2	-172.5	-179.7	-160.7	0.1	113.7	T67	T67-R69 PolarHBondContact O-N 3.08Å
70	R	82.4	Confident	87.7	Confident	203 Å²	203	61.8 Å²	61.8	77%	0.766	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.6	175.1	-57.9	177.2	-178.4	170.4	1.2	112.7	D68	D68-R70 PolarHBondContact O-N 3.31Å; D68-R70 WeakPolarHBondContact OD1-CB 3.27Å; D68-R70 PolarHBondContact OD1-N 3.43Å
71	S	83.4	Confident	87.9	Confident	32 Å²	32	64.7 Å²	64.7	22%	0.224	30%	0.3	C	S	.	.			trans	-54.2	139.4	-178.6	-177.1	0	0	0	0	111.5	E64 D68	E64-S71 WeakPolarHBondContact OE2-CA 3.22Å; E64-S71 VanDerWaalsContact OE2-CB 3.26Å; E64-S71 WeakPolarHBondContact OE2-CB 3.44Å; E64-S71 PolarHBondContact OE2-OG 2.98Å; D68-S71 WeakPolarHBondContact O-CB 3.45Å; D68-S71 PolarHBondContact O-N 3.48Å
72	R	89	Confident	88.1	Confident	104 Å²	104	66.3 Å²	66.3	39%	0.392	31%	0.307	S	S	.	.			trans	-121.8	4.2	179.7	-60.7	-63.9	-180	169.9	-5.2	112.7	E64 D74 L75 E76 G197	E64-R72 PolarHBondContact OE2-N 2.88Å; R72-D74 VanDerWaalsContact C-N 3.3Å; R72-D74 PolarHBondContact O-N 3.49Å; R72-L75 PolarHBondContact O-N 3.07Å; R72-E76 WeakPolarHBondContact O-CG 3.28Å; R72-E76 PolarHBondContact O-N 3.31Å; R72-G197 WeakPolarHBondContact CD-O 3.2Å; R72-G197 WeakPolarHBondContact CG-O 3.43Å
73	I	89.9	Confident	88.4	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-53.9	-44	-176	-82.1	-180	0	0	0	112.3	E64 L75 E76 V77 N121 Y123	E64-I73 HydrophobicContact CB-CD1 3.7Å; E64-I73 HydrophobicContact CB-CG1 4.31Å; E64-I73 HydrophobicContact CG-CD1 3.77Å; E64-I73 HydrophobicContact CG-CG1 4.04Å; I73-L75 PolarHBondContact O-N 3.26Å; I73-E76 PolarHBondContact O-N 3.24Å; I73-V77 HydrophobicContact CG2-CG2 4.11Å; I73-V77 WeakPolarHBondContact O-CB 3.37Å; I73-V77 VanDerWaalsContact O-CG2 3.27Å; I73-V77 WeakPolarHBondContact O-CG2 3.46Å; I73-V77 PolarHBondContact O-N 3.29Å; I73-N121 HydrophobicContact CD1-CB 3.89Å; I73-N121 WeakPolarHBondContact CD1-O 3.21Å; I73-N121 HydrophobicContact CG2-CB 4.27Å; I73-Y123 HydrophobicContact CG1-CD1 4.16Å; I73-Y123 HydrophobicContact CG1-CE1 4.28Å; I73-Y123 HydrophobicContact CG2-CD1 4.17Å
74	D	92.2	Very high	88.6	Confident	122 Å²	122	66.2 Å²	66.2	65%	0.652	31%	0.306	S	S	*	.	H	α-helix	trans	-62.1	-44.7	-177.6	-63.7	-27.4	0	0	0	111.8	R72 V77 E78	R72-D74 VanDerWaalsContact C-N 3.3Å; R72-D74 PolarHBondContact O-N 3.49Å; D74-V77 PolarHBondContact O-N 3.35Å; D74-E78 WeakPolarHBondContact O-CB 3.24Å; D74-E78 PolarHBondContact O-N 2.88Å
75	L	93.5	Very high	88.5	Confident	39 Å²	39	66.1 Å²	66.1	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-46.2	173.7	173.6	65.4	0	0	0	111	R72 I73 V77 E78 V79 Y168	R72-L75 PolarHBondContact O-N 3.07Å; I73-L75 PolarHBondContact O-N 3.26Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.28Å; L75-E78 PolarHBondContact O-N 3.05Å; L75-V79 HydrophobicContact CD1-CG2 3.91Å; L75-V79 HydrophobicContact CG-CG2 4.34Å; L75-V79 WeakPolarHBondContact O-CB 3.27Å; L75-V79 WeakPolarHBondContact O-CG2 3.27Å; L75-V79 PolarHBondContact O-N 3.41Å; L75-Y168 HydrophobicContact CD1-CE1 4.36Å
76	E	94.6	Very high	87.5	Confident	3 Å²	3	64 Å²	64	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-40.3	-178.8	-73	-174.3	-148.3	0	0	112.6	K62 R72 I73 V79 L80 Y123 F196 G197	K62-E76 WeakPolarHBondContact CD-OE2 3.48Å; K62-E76 WeakPolarHBondContact CE-OE2 3.44Å; K62-E76 IonicContact NZ-OE1 2.65Å; K62-E76 PolarHBondContact NZ-OE1 3.47Å; K62-E76 IonicContact NZ-OE2 2.67Å; K62-E76 PolarHBondContact NZ-OE2 2.72Å; R72-E76 WeakPolarHBondContact O-CG 3.28Å; R72-E76 PolarHBondContact O-N 3.31Å; I73-E76 PolarHBondContact O-N 3.24Å; E76-V79 PolarHBondContact O-N 2.69Å; E76-L80 VanDerWaalsContact O-CB 3.24Å; E76-L80 WeakPolarHBondContact O-CB 3.01Å; E76-L80 VanDerWaalsContact O-CG 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.08Å; E76-L80 PolarHBondContact O-N 3.3Å; E76-Y123 HydrophobicContact CB-CE1 4.24Å; E76-Y123 PolarHBondContact OE2-OH 3.47Å; E76-F196 HydrophobicContact CG-CB 4.19Å; E76-G197 VanDerWaalsContact OE1-CA 3.26Å; E76-G197 WeakPolarHBondContact OE1-CA 3.3Å; E76-G197 PolarHBondContact OE1-N 3.03Å
77	V	94	Very high	86	Confident	12 Å²	12	67 Å²	67	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-43.5	175.9	171.5	0	0	0	0	110.7	I73 D74 L75 L80 K81 F111 Y123	I73-V77 HydrophobicContact CG2-CG2 4.11Å; I73-V77 WeakPolarHBondContact O-CB 3.37Å; I73-V77 VanDerWaalsContact O-CG2 3.27Å; I73-V77 WeakPolarHBondContact O-CG2 3.46Å; I73-V77 PolarHBondContact O-N 3.29Å; D74-V77 PolarHBondContact O-N 3.35Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.28Å; V77-L80 PolarHBondContact O-N 3.16Å; V77-K81 HydrophobicContact CG1-CD 4.29Å; V77-K81 WeakPolarHBondContact O-CG 3.2Å; V77-K81 PolarHBondContact O-N 3Å; V77-K81 VanDerWaalsContact O-N 3.11Å; V77-F111 HydrophobicContact CB-CE2 4.44Å; V77-F111 HydrophobicContact CG1-CE2 3.8Å; V77-F111 HydrophobicContact CG1-CZ 3.87Å; V77-F111 HydrophobicContact CG2-CE2 4.06Å; V77-Y123 HydrophobicContact CG2-CD1 3.83Å; V77-Y123 HydrophobicContact CG2-CG 3.83Å
78	E	94.5	Very high	84.2	Confident	85 Å²	85	68.4 Å²	68.4	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-49.6	175.6	-174.1	-170.3	169	0	0	111.3	D74 L75 K81 K82 Y168	D74-E78 WeakPolarHBondContact O-CB 3.24Å; D74-E78 PolarHBondContact O-N 2.88Å; L75-E78 PolarHBondContact O-N 3.05Å; E78-K81 PolarHBondContact O-N 3.02Å; E78-K82 HydrophobicContact CG-CD 4.35Å; E78-K82 PolarHBondContact O-N 2.64Å; E78-K82 VanDerWaalsContact O-N 3.14Å; E78-K82 IonicContact OE1-NZ 3.76Å; E78-K82 PolarHBondContact OE1-NZ 3.32Å; E78-Y168 VanDerWaalsContact CD-OH 3.3Å; E78-Y168 PolarHBondContact OE1-OH 3.32Å
79	V	95	Very high	82.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-44.4	-179.2	176.4	0	0	0	0	111	L75 E76 K81 K82 F83 L163 Y168 F196 A199	L75-V79 HydrophobicContact CD1-CG2 3.91Å; L75-V79 HydrophobicContact CG-CG2 4.34Å; L75-V79 WeakPolarHBondContact O-CB 3.27Å; L75-V79 WeakPolarHBondContact O-CG2 3.27Å; L75-V79 PolarHBondContact O-N 3.41Å; E76-V79 PolarHBondContact O-N 2.69Å; V79-K81 PolarHBondContact O-N 2.85Å; V79-K82 PolarHBondContact O-N 3.36Å; V79-F83 WeakPolarHBondContact O-CB 3.37Å; V79-F83 PolarHBondContact O-N 3.44Å; V79-L163 HydrophobicContact CG1-CD1 3.66Å; V79-Y168 HydrophobicContact CG1-CG 4.3Å; V79-Y168 HydrophobicContact CG2-CD1 3.5Å; V79-Y168 VanDerWaalsContact CG2-CD1 3.5Å; V79-Y168 HydrophobicContact CG2-CD2 4.31Å; V79-Y168 HydrophobicContact CG2-CE1 3.52Å; V79-Y168 HydrophobicContact CG2-CE2 4.38Å; V79-Y168 HydrophobicContact CG2-CG 3.93Å; V79-F196 HydrophobicContact CB-CB 3.98Å; V79-F196 HydrophobicContact CB-CG 4.26Å; V79-F196 HydrophobicContact CG1-CB 3.77Å; V79-F196 HydrophobicContact CG1-CD1 3.65Å; V79-F196 HydrophobicContact CG1-CD2 4.43Å; V79-F196 HydrophobicContact CG1-CE1 4.38Å; V79-F196 HydrophobicContact CG1-CG 3.67Å; V79-A199 HydrophobicContact CG1-CB 4.3Å; V79-A199 HydrophobicContact CG2-CB 3.99Å
80	L	93.6	Very high	80.5	Confident	3 Å²	3	62 Å²	62	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-48.8	177.8	-86.9	166.7	0	0	0	111.9	E76 V77 F83 E84 F111 Y123 F196	E76-L80 VanDerWaalsContact O-CB 3.24Å; E76-L80 WeakPolarHBondContact O-CB 3.01Å; E76-L80 VanDerWaalsContact O-CG 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.08Å; E76-L80 PolarHBondContact O-N 3.3Å; V77-L80 PolarHBondContact O-N 3.16Å; L80-F83 PolarHBondContact O-N 3.48Å; L80-E84 WeakPolarHBondContact O-CB 3.45Å; L80-E84 PolarHBondContact O-N 3.16Å; L80-F111 HydrophobicContact CD1-CD2 4.49Å; L80-Y123 HydrophobicContact CD1-CD2 4Å; L80-Y123 HydrophobicContact CD1-CE2 3.43Å; L80-Y123 VanDerWaalsContact CD1-CE2 3.43Å; L80-F196 HydrophobicContact CD2-CD2 3.99Å; L80-F196 HydrophobicContact CD2-CE2 3.41Å; L80-F196 VanDerWaalsContact CD2-CE2 3.41Å; L80-F196 HydrophobicContact CD2-CZ 4.32Å; L80-F196 HydrophobicContact CG-CD2 3.81Å; L80-F196 HydrophobicContact CG-CE2 3.78Å
81	K	92.1	Very high	78.7	Confident	66 Å²	66	55.9 Å²	55.9	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-46.1	-179.9	-73	179.4	172.8	-170.9	0	112.2	V77 E78 V79 E84 G85 E86 F111	V77-K81 HydrophobicContact CG1-CD 4.29Å; V77-K81 WeakPolarHBondContact O-CG 3.2Å; V77-K81 PolarHBondContact O-N 3Å; V77-K81 VanDerWaalsContact O-N 3.11Å; E78-K81 PolarHBondContact O-N 3.02Å; V79-K81 PolarHBondContact O-N 2.85Å; K81-E84 PolarHBondContact O-N 3.01Å; K81-G85 PolarHBondContact O-N 2.86Å; K81-E86 HydrophobicContact CB-CB 4.36Å; K81-E86 WeakPolarHBondContact CD-OE2 2.84Å; K81-E86 WeakPolarHBondContact CG-OE2 3.41Å; K81-E86 WeakPolarHBondContact O-CB 3.42Å; K81-E86 PolarHBondContact O-N 3.44Å; K81-F111 HydrophobicContact CD-CE1 4.44Å; K81-F111 HydrophobicContact CG-CD1 4.13Å; K81-F111 HydrophobicContact CG-CE1 4.38Å; K81-F111 HydrophobicContact CG-CG 4.39Å
82	K	91.6	Very high	77.3	Confident	34 Å²	34	57.7 Å²	57.7	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-41.5	177.6	-71.8	179.3	174.9	170.8	0	111.8	E78 V79 G85 A166 Y168	E78-K82 HydrophobicContact CG-CD 4.35Å; E78-K82 PolarHBondContact O-N 2.64Å; E78-K82 VanDerWaalsContact O-N 3.14Å; E78-K82 IonicContact OE1-NZ 3.76Å; E78-K82 PolarHBondContact OE1-NZ 3.32Å; V79-K82 PolarHBondContact O-N 3.36Å; K82-G85 PolarHBondContact O-N 2.73Å; K82-A166 HydrophobicContact CB-CB 4.24Å; K82-Y168 HydrophobicContact CB-CE2 4.47Å; K82-Y168 HydrophobicContact CD-CE2 3.55Å; K82-Y168 PolarHBondContact NZ-OH 3.3Å
83	F	92.4	Very high	75.4	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-36.1	178	-179.8	-151.4	0	0	0	112.6	V79 L80 G85 S105 C108 D162 L163 L193 F196	V79-F83 WeakPolarHBondContact O-CB 3.37Å; V79-F83 PolarHBondContact O-N 3.44Å; L80-F83 PolarHBondContact O-N 3.48Å; F83-G85 PolarHBondContact O-N 3.17Å; F83-S105 WeakPolarHBondContact CE2-OG 3.47Å; F83-S105 WeakPolarHBondContact O-CB 3.15Å; F83-C108 HydrophobicContact CD1-CB 3.54Å; F83-C108 WeakPolarHBondContact CD1-SG 3.38Å; F83-C108 HydrophobicContact CD2-CB 4.19Å; F83-C108 HydrophobicContact CE1-CB 3.52Å; F83-C108 HydrophobicContact CE2-CB 4.16Å; F83-C108 HydrophobicContact CG-CB 3.88Å; F83-C108 HydrophobicContact CZ-CB 3.84Å; F83-D162 HydrophobicContact CD2-CB 4.21Å; F83-D162 HydrophobicContact CE2-CB 3.61Å; F83-L163 HydrophobicContact CB-CD1 4.08Å; F83-L163 HydrophobicContact CD1-CD1 4.23Å; F83-L163 HydrophobicContact CD2-CB 4.05Å; F83-L163 HydrophobicContact CD2-CD1 4.31Å; F83-L163 HydrophobicContact CE2-CB 4.03Å; F83-L163 HydrophobicContact CG-CB 4.49Å; F83-L163 HydrophobicContact CG-CD1 3.96Å; F83-L163 HydrophobicContact CZ-CB 4.44Å; F83-L193 HydrophobicContact CE1-CB 4.27Å; F83-L193 HydrophobicContact CZ-CB 4.44Å; F83-F196 AromaticContact CD1-CE1 3.81Å; F83-F196 HydrophobicContact CD1-CE1 3.81Å; F83-F196 HydrophobicContact CD1-CE2 4.43Å; F83-F196 AromaticContact CD1-CZ 3.53Å; F83-F196 HydrophobicContact CD1-CZ 3.53Å; F83-F196 AromaticContact CE1-CE1 4Å; F83-F196 HydrophobicContact CE1-CE1 4Å; F83-F196 AromaticContact CE1-CZ 3.69Å; F83-F196 HydrophobicContact CE1-CZ 3.69Å
84	E	88	Confident	73.2	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-67.2	-18.8	174	-172.1	172.1	-138.9	0	0	112.6	L80 K81 R104 E110 F111	L80-E84 WeakPolarHBondContact O-CB 3.45Å; L80-E84 PolarHBondContact O-N 3.16Å; K81-E84 PolarHBondContact O-N 3.01Å; E84-R104 HydrophobicContact CG-CG 4.11Å; E84-R104 WeakPolarHBondContact O-CA 3.4Å; E84-R104 WeakPolarHBondContact O-CB 3.4Å; E84-R104 VanDerWaalsContact O-CG 3.3Å; E84-R104 WeakPolarHBondContact O-CG 3.48Å; E84-R104 IonicContact OE1-CZ 2.87Å; E84-R104 IonicContact OE1-NH1 3.74Å; E84-R104 PolarHBondContact OE1-NH1 3.38Å; E84-R104 IonicContact OE1-NH2 2.77Å; E84-R104 PolarHBondContact OE1-NH2 2.94Å; E84-E110 VanDerWaalsContact OE1-CA 3.31Å; E84-E110 WeakPolarHBondContact OE1-CA 3.29Å; E84-F111 PolarHBondContact OE1-N 3.18Å; E84-F111 WeakPolarHBondContact OE2-CB 3.16Å
85	G	80.2	Confident	71	Confident	25 Å²	25	62.7 Å²	62.7	26%	0.258	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.3	7.4	178.3	0	0	0	0	0	114.6	K81 K82 F83 H87	K81-G85 PolarHBondContact O-N 2.86Å; K82-G85 PolarHBondContact O-N 2.73Å; F83-G85 PolarHBondContact O-N 3.17Å; G85-H87 PolarHBondContact O-N 2.87Å; G85-H87 PolarHBondContact O-ND1 2.77Å
86	E	61.9	Low	68.9	Low	88 Å²	88	69 Å²	69	41%	0.411	35%	0.353	S	S	.	.			trans	-71	93.8	168.8	-66.3	-170.6	161.5	0	0	109.2	K81 F88	K81-E86 HydrophobicContact CB-CB 4.36Å; K81-E86 WeakPolarHBondContact CD-OE2 2.84Å; K81-E86 WeakPolarHBondContact CG-OE2 3.41Å; K81-E86 WeakPolarHBondContact O-CB 3.42Å; K81-E86 PolarHBondContact O-N 3.44Å; E86-F88 VanDerWaalsContact C-N 3.33Å; E86-F88 PolarHBondContact O-N 2.87Å
87	H	51.8	Low	66.3	Low	123 Å²	123	74.4 Å²	74.4	57%	0.569	38%	0.382	S	S	*	.			trans	-75.6	81.4	177.9	-68.6	20.5	0	0	0	110.4	G85 S89	G85-H87 PolarHBondContact O-N 2.87Å; G85-H87 PolarHBondContact O-ND1 2.77Å; H87-S89 PolarHBondContact O-N 2.8Å
88	F	45.2	Very low	63.9	Low	151 Å²	151	77.7 Å²	77.7	66%	0.662	41%	0.411	S	S	*	.			trans	-76.5	104.8	164	-99.9	-90	0	0	0	109.5	E86 M90	E86-F88 VanDerWaalsContact C-N 3.33Å; E86-F88 PolarHBondContact O-N 2.87Å; F88-M90 PolarHBondContact O-N 3.38Å
89	S	41.7	Very low	61.4	Low	122 Å²	122	80.1 Å²	80.1	85%	0.853	43%	0.431	S	S	*	.	S	Bend	trans	38.4	21.6	152.3	-43.3	0	0	0	0	120.6	H87	H87-S89 PolarHBondContact O-N 2.8Å
90	M	43.6	Very low	59.1	Low	68 Å²	68	88.4 Å²	88.4	34%	0.335	47%	0.467	S	S	.	.			trans	-94.9	144.1	166.7	-72.3	-122	-46.2	0	0	109.8	F88 V92 N167	F88-M90 PolarHBondContact O-N 3.38Å; M90-V92 PolarHBondContact O-N 3.34Å; M90-N167 HydrophobicContact CE-CB 4.37Å
91	P	45	Very low	56.6	Low	75 Å²	75	92.2 Å²	92.2	49%	0.487	49%	0.494	S	S	.	.			trans	-61.1	102.1	169.4	24.2	-30.1	0	0	0	108.7	V93	P91-V93 PolarHBondContact O-N 2.92Å
92	V	52.4	Low	54.7	Low	71 Å²	71	92.6 Å²	92.6	43%	0.43	51%	0.509	S	S	.	.			trans	-62.5	121.2	159.6	-179.2	0	0	0	0	104.8	M90 K94	M90-V92 PolarHBondContact O-N 3.34Å; V92-K94 PolarHBondContact O-N 3.23Å
93	V	50.4	Low	53.3	Low	57 Å²	57	96.3 Å²	96.3	35%	0.345	54%	0.535	S	S	.	.			trans	-49.7	118.8	173.6	178.9	0	0	0	0	106.6	P91 R95 I203	P91-V93 PolarHBondContact O-N 2.92Å; V93-R95 VanDerWaalsContact C-N 3.32Å; V93-R95 WeakPolarHBondContact O-CG 3.32Å; V93-R95 PolarHBondContact O-N 3.13Å; V93-I203 HydrophobicContact CG2-CD1 4.39Å
94	K	43.3	Very low	52.6	Low	208 Å²	208	101.2 Å²	101.2	90%	0.904	55%	0.553	S	S	*	*			trans	-59.1	95.6	179.8	-77.7	-177.6	176.5	178.6	0	108.2	V92	V92-K94 PolarHBondContact O-N 3.23Å
95	R	47.1	Very low	52.6	Low	69 Å²	69	100.9 Å²	100.9	26%	0.26	55%	0.552	S	S	.	*			trans	-85.4	136.3	174.8	-64.4	-168	-173.3	164.2	13.3	108.6	V93 D97 A98 S165 Y202 E302	V93-R95 VanDerWaalsContact C-N 3.32Å; V93-R95 WeakPolarHBondContact O-CG 3.32Å; V93-R95 PolarHBondContact O-N 3.13Å; R95-D97 PolarHBondContact O-N 2.9Å; R95-D97 VanDerWaalsContact O-N 3.11Å; R95-A98 PolarHBondContact O-N 3Å; R95-S165 PolarHBondContact NH1-OG 2.75Å; R95-Y202 PolarHBondContact NH2-OH 3.11Å; R95-E302 IonicContact CZ-OE1 2.63Å; R95-E302 IonicContact CZ-OE2 3.95Å; R95-E302 IonicContact NE-OE1 3.13Å; R95-E302 PolarHBondContact NE-OE1 3.34Å; R95-E302 IonicContact NE-OE2 2.64Å; R95-E302 PolarHBondContact NE-OE2 2.67Å; R95-E302 IonicContact NH1-OE1 3.78Å; R95-E302 PolarHBondContact NH1-OE1 2.6Å; R95-E302 IonicContact NH2-OE1 3.93Å; R95-E302 IonicContact NH2-OE2 3Å
96	I	47.7	Very low	53.2	Low	171 Å²	171	106.6 Å²	106.6	88%	0.877	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-21.2	-179.4	-69.6	170.6	0	0	0	111.1	A98	I96-A98 PolarHBondContact O-N 2.69Å
97	D	41.8	Very low	54.8	Low	116 Å²	116	102.4 Å²	102.4	62%	0.62	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	38.4	178.6	-56.1	-35.7	0	0	0	113.6	R95 V99 F100	R95-D97 PolarHBondContact O-N 2.9Å; R95-D97 VanDerWaalsContact O-N 3.11Å; D97-V99 PolarHBondContact O-N 3.36Å; D97-F100 PolarHBondContact O-N 2.65Å
98	A	42.5	Very low	56.8	Low	82 Å²	82	96.7 Å²	96.7	68%	0.678	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	5.9	173.5	0	0	0	0	0	114.8	R95 I96 F100	R95-A98 PolarHBondContact O-N 3Å; I96-A98 PolarHBondContact O-N 2.69Å; A98-F100 PolarHBondContact O-N 3.03Å
99	V	42.5	Very low	59.1	Low	136 Å²	136	89.6 Å²	89.6	82%	0.824	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.6	170.2	-176.3	0	0	0	0	111.6	D97 S101	D97-V99 PolarHBondContact O-N 3.36Å; V99-S101 PolarHBondContact O-N 3.44Å
100	F	46.2	Very low	61.5	Low	174 Å²	174	87.4 Å²	87.4	76%	0.763	47%	0.465	S	S	*	.	S	Bend	trans	-77.1	69.2	161.9	-62.3	-76.9	0	0	0	109.4	D97 A98	D97-F100 PolarHBondContact O-N 2.65Å; A98-F100 PolarHBondContact O-N 3.03Å
101	S	41.8	Very low	63.8	Low	83 Å²	83	85.2 Å²	85.2	58%	0.58	45%	0.454	S	S	*	.			trans	-27.9	138.4	158.6	163.3	0	0	0	0	110.3	V99 T103	V99-S101 PolarHBondContact O-N 3.44Å; S101-T103 WeakPolarHBondContact O-CA 3.13Å; S101-T103 WeakPolarHBondContact O-CB 3.48Å; S101-T103 PolarHBondContact O-N 3.25Å; S101-T103 PolarHBondContact O-OG1 3.39Å
102	A	50.9	Low	66	Low	73 Å²	73	83.7 Å²	83.7	60%	0.603	44%	0.439	S	S	*	.	S	Bend	trans	-47.8	63.4	178.9	0	0	0	0	0	114
103	T	62.2	Low	67.9	Low	112 Å²	112	82.8 Å²	82.8	69%	0.687	43%	0.428	S	S	*	.			trans	-93.1	119.1	-174.3	-42.2	0	0	0	0	104.4	S101 S105	S101-T103 WeakPolarHBondContact O-CA 3.13Å; S101-T103 WeakPolarHBondContact O-CB 3.48Å; S101-T103 PolarHBondContact O-N 3.25Å; S101-T103 PolarHBondContact O-OG1 3.39Å; T103-S105 PolarHBondContact O-N 3.49Å
104	R	78.5	Confident	69.8	Low	110 Å²	110	82.7 Å²	82.7	42%	0.415	43%	0.43	S	S	.	.			trans	-41.2	128.4	174.9	174.3	-170	173.5	89.2	25.9	111.3	E84 R106 E110	E84-R104 HydrophobicContact CG-CG 4.11Å; E84-R104 WeakPolarHBondContact O-CA 3.4Å; E84-R104 WeakPolarHBondContact O-CB 3.4Å; E84-R104 VanDerWaalsContact O-CG 3.3Å; E84-R104 WeakPolarHBondContact O-CG 3.48Å; E84-R104 IonicContact OE1-CZ 2.87Å; E84-R104 IonicContact OE1-NH1 3.74Å; E84-R104 PolarHBondContact OE1-NH1 3.38Å; E84-R104 IonicContact OE1-NH2 2.77Å; E84-R104 PolarHBondContact OE1-NH2 2.94Å; R104-R106 PolarHBondContact O-N 3.31Å; R104-E110 VanDerWaalsContact NH2-CG 3.27Å
105	S	88.4	Confident	72	Confident	5 Å²	5	74.1 Å²	74.1	4%	0.035	40%	0.401	C	S	.	.			trans	-60.9	124	177.7	-177.8	0	0	0	0	110	F83 T103 H107 C108 D162	F83-S105 WeakPolarHBondContact CE2-OG 3.47Å; F83-S105 WeakPolarHBondContact O-CB 3.15Å; T103-S105 PolarHBondContact O-N 3.49Å; S105-H107 PolarHBondContact O-N 3.3Å; S105-H107 PolarHBondContact OG-N 3.5Å; S105-C108 PolarHBondContact O-N 2.77Å; S105-D162 VanDerWaalsContact CB-OD2 3.32Å; S105-D162 WeakPolarHBondContact CB-OD2 3.4Å; S105-D162 WeakPolarHBondContact OG-CB 3.49Å; S105-D162 PolarHBondContact OG-OD2 3.32Å
106	R	91.5	Very high	73.9	Confident	145 Å²	145	76.6 Å²	76.6	55%	0.547	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.2	176.4	68.5	-176.8	-69	-157.2	5.3	113	R104 E158 C190 Y192	R104-R106 PolarHBondContact O-N 3.31Å; R106-E158 IonicContact NH1-OE2 3.47Å; R106-E158 PolarHBondContact NH1-OE2 2.83Å; R106-C190 PolarHBondContact O-SG 3Å; R106-C190 VanDerWaalsContact O-SG 3.35Å; R106-Y192 WeakPolarHBondContact O-CE1 3.49Å
107	H	95.7	Very high	75.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	3.8	-176.9	-58.4	-60.5	0	0	0	112.7	S105 Q155 E158 A159 V191 Y192 L193	S105-H107 PolarHBondContact O-N 3.3Å; S105-H107 PolarHBondContact OG-N 3.5Å; H107-Q155 PolarHBondContact CE1-OE1 3.3Å; H107-E158 IonicContact NE2-OE2 2.85Å; H107-E158 PolarHBondContact NE2-OE2 3.1Å; H107-A159 HydrophobicContact CB-CB 3.45Å; H107-A159 VanDerWaalsContact CB-CB 3.45Å; H107-V191 PolarHBondContact ND1-O 3.11Å; H107-Y192 VanDerWaalsContact O-CA 3.28Å; H107-Y192 WeakPolarHBondContact O-CA 3.38Å; H107-L193 PolarHBondContact O-N 3.11Å
108	C	95	Very high	77.3	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.014	38%	0.381	C	S	.	.	S	Bend	trans	-92.8	128.4	168.8	-175.1	0	0	0	0	109.8	F83 S105	F83-C108 HydrophobicContact CD1-CB 3.54Å; F83-C108 WeakPolarHBondContact CD1-SG 3.38Å; F83-C108 HydrophobicContact CD2-CB 4.19Å; F83-C108 HydrophobicContact CE1-CB 3.52Å; F83-C108 HydrophobicContact CE2-CB 4.16Å; F83-C108 HydrophobicContact CG-CB 3.88Å; F83-C108 HydrophobicContact CZ-CB 3.84Å; S105-C108 PolarHBondContact O-N 2.77Å
109	P	93	Very high	79.2	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.013	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-60.2	142.6	170.1	-14.5	26.1	0	0	0	110.1	F111 F125 Q126 L128 Y192 L193 I194	P109-F111 PolarHBondContact O-N 3.01Å; P109-F125 HydrophobicContact CB-CD2 3.95Å; P109-Q126 HydrophobicContact CB-CB 4.27Å; P109-L128 HydrophobicContact CB-CD1 4.19Å; P109-L128 HydrophobicContact CG-CD1 3.89Å; P109-Y192 HydrophobicContact CG-CD1 4.44Å; P109-L193 VanDerWaalsContact CD-O 3.27Å; P109-L193 WeakPolarHBondContact CD-O 3.28Å; P109-I194 HydrophobicContact CG-CG2 3.75Å
110	E	92	Very high	81.1	Confident	76 Å²	76	62.6 Å²	62.6	36%	0.355	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.3	121.9	178.3	-168.6	178.8	-177	0	0	112.2	E84 R104 Y112 F125 Q126	E84-E110 VanDerWaalsContact OE1-CA 3.31Å; E84-E110 WeakPolarHBondContact OE1-CA 3.29Å; R104-E110 VanDerWaalsContact NH2-CG 3.27Å; E110-Y112 HydrophobicContact CB-CE1 3.78Å; E110-Y112 HydrophobicContact CG-CD1 4.01Å; E110-Y112 HydrophobicContact CG-CE1 3.39Å; E110-Y112 VanDerWaalsContact OE2-CE1 3.3Å; E110-Y112 WeakPolarHBondContact OE2-CE1 3.45Å; E110-Y112 PolarHBondContact OE2-OH 3.45Å; E110-F125 CarbonylContact O-C 3.57Å; E110-F125 WeakPolarHBondContact O-CA 3.37Å; E110-F125 VanDerWaalsContact O-CB 3.29Å; E110-F125 WeakPolarHBondContact O-CB 3.36Å; E110-Q126 HydrophobicContact CB-CB 4.01Å; E110-Q126 PolarHBondContact O-N 3.3Å
111	F	92.1	Very high	83	Confident	23 Å²	23	55.7 Å²	55.7	10%	0.101	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.6	172.7	175.3	-95.3	0	0	0	109.2	V77 L80 K81 E84 P109 Y123	V77-F111 HydrophobicContact CB-CE2 4.44Å; V77-F111 HydrophobicContact CG1-CE2 3.8Å; V77-F111 HydrophobicContact CG1-CZ 3.87Å; V77-F111 HydrophobicContact CG2-CE2 4.06Å; L80-F111 HydrophobicContact CD1-CD2 4.49Å; K81-F111 HydrophobicContact CD-CE1 4.44Å; K81-F111 HydrophobicContact CG-CD1 4.13Å; K81-F111 HydrophobicContact CG-CE1 4.38Å; K81-F111 HydrophobicContact CG-CG 4.39Å; E84-F111 PolarHBondContact OE1-N 3.18Å; E84-F111 WeakPolarHBondContact OE2-CB 3.16Å; P109-F111 PolarHBondContact O-N 3.01Å; F111-Y123 HydrophobicContact CD2-CD2 4.39Å; F111-Y123 HydrophobicContact CE2-CD2 4.41Å
112	Y	91.5	Very high	85.2	Confident	43 Å²	43	52.7 Å²	52.7	17%	0.169	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-55.4	179.2	-59.6	-40.4	0	0	0	112.7	R57 V59 E110 A124 F125 Q126	R57-Y112 PolarHBondContact NH1-OH 2.91Å; V59-Y112 HydrophobicContact CB-CD2 4.15Å; V59-Y112 HydrophobicContact CB-CE2 4.18Å; V59-Y112 HydrophobicContact CG1-CD2 3.7Å; V59-Y112 HydrophobicContact CG1-CE2 3.67Å; E110-Y112 HydrophobicContact CB-CE1 3.78Å; E110-Y112 HydrophobicContact CG-CD1 4.01Å; E110-Y112 HydrophobicContact CG-CE1 3.39Å; E110-Y112 VanDerWaalsContact OE2-CE1 3.3Å; E110-Y112 WeakPolarHBondContact OE2-CE1 3.45Å; E110-Y112 PolarHBondContact OE2-OH 3.45Å; Y112-A124 WeakPolarHBondContact CB-O 3.3Å; Y112-A124 HydrophobicContact CD2-CB 4.48Å; Y112-A124 PolarHBondContact N-O 2.84Å; Y112-F125 VanDerWaalsContact CD2-C 3.45Å; Y112-F125 VanDerWaalsContact CE2-O 3.27Å; Y112-F125 WeakPolarHBondContact CE2-O 3.49Å; Y112-Q126 VanDerWaalsContact CE2-N 3.32Å
113	Y	91.2	Very high	87.1	Confident	51 Å²	51	49.5 Å²	49.5	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	156.9	-179	47.6	-93.8	0	0	0	109.9	L31 L34 Y122 Y123 A124	L31-Y113 HydrophobicContact CD1-CE2 4.13Å; L34-Y113 HydrophobicContact CD1-CE2 4.47Å; L34-Y113 WeakPolarHBondContact CD2-OH 3.33Å; Y113-Y122 AromaticContact CD2-CE2 3.94Å; Y113-Y122 HydrophobicContact CD2-CE2 3.94Å; Y113-Y122 AromaticContact CE2-CE2 3.96Å; Y113-Y122 HydrophobicContact CE2-CE2 3.96Å; Y113-Y123 CarbonylContact O-C 3.45Å; Y113-Y123 VanDerWaalsContact O-CA 3.31Å; Y113-Y123 WeakPolarHBondContact O-CA 3.42Å; Y113-A124 HydrophobicContact CD1-CB 4.33Å; Y113-A124 HydrophobicContact CD2-CB 3.9Å; Y113-A124 HydrophobicContact CE1-CB 3.98Å; Y113-A124 HydrophobicContact CE2-CB 3.52Å; Y113-A124 HydrophobicContact CG-CB 4.29Å; Y113-A124 PolarHBondContact N-O 3.36Å; Y113-A124 PolarHBondContact O-N 3Å
114	S	91.7	Very high	88.4	Confident	55 Å²	55	44.2 Å²	44.2	39%	0.385	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	162.9	169.6	57.5	0	0	0	0	109.8	Y122	S114-Y122 CarbonylContact C-O 3.52Å; S114-Y122 VanDerWaalsContact CA-O 3.22Å; S114-Y122 WeakPolarHBondContact CA-O 3.37Å; S114-Y122 WeakPolarHBondContact CB-O 3.49Å
115	G	89.3	Confident	89	Confident	28 Å²	28	39.7 Å²	39.7	29%	0.289	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-176.9	175.3	0	0	0	0	0	112.6	Y122	G115-Y122 PolarHBondContact N-O 2.8Å; G115-Y122 WeakPolarHBondContact O-CD1 3.44Å; G115-Y122 WeakPolarHBondContact O-CE1 3.43Å; G115-Y122 PolarHBondContact O-N 3.44Å
116	E	86.2	Confident	89.1	Confident	122 Å²	122	41 Å²	41	57%	0.57	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.2	174.6	-168.2	-171.5	140.3	0	0	109.6	V66 L120	V66-E116 HydrophobicContact CG2-CG 3.69Å; E116-L120 CarbonylContact C-O 3.49Å; E116-L120 VanDerWaalsContact CA-O 3.28Å; E116-L120 WeakPolarHBondContact CA-O 3.03Å
117	C	79.3	Confident	88.9	Confident	23 Å²	23	34.8 Å²	34.8	16%	0.155	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	127.1	170.6	-172.4	0	0	0	0	111.2	L30 L31 G119 L120 Y122	L30-C117 HydrophobicContact CG-CB 4.32Å; L30-C117 PolarHBondContact O-SG 3.44Å; L31-C117 HydrophobicContact CD2-CB 3.86Å; C117-G119 VanDerWaalsContact C-N 3.27Å; C117-G119 PolarHBondContact O-N 3.48Å; C117-L120 PolarHBondContact N-O 3.22Å; C117-L120 WeakPolarHBondContact O-CB 3.07Å; C117-L120 PolarHBondContact O-N 3.03Å; C117-Y122 HydrophobicContact CB-CD1 4.31Å; C117-Y122 HydrophobicContact CB-CE1 3.86Å
118	K	81.8	Confident	88.6	Confident	143 Å²	143	35.2 Å²	35.2	62%	0.622	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	41	175.8	-61.6	175.2	-179.7	178.2	0	113.2	L120	K118-L120 VanDerWaalsContact C-N 3.3Å; K118-L120 PolarHBondContact O-N 2.88Å
119	G	81.6	Confident	88.2	Confident	36 Å²	36	35.7 Å²	35.7	37%	0.371	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	17.9	-178.9	0	0	0	0	0	114.5	V66 C117	V66-G119 VanDerWaalsContact CG2-C 3.4Å; V66-G119 WeakPolarHBondContact CG2-O 3.48Å; V66-G119 PolarHBondContact N-O 3.33Å; C117-G119 VanDerWaalsContact C-N 3.27Å; C117-G119 PolarHBondContact O-N 3.48Å
120	L	82.7	Confident	87.9	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130	172.3	-60.4	171.8	0	0	0	110.6	H23 L24 L30 V63 E64 K65 E116 C117 K118	H23-L120 WeakPolarHBondContact NE2-CD1 3.33Å; L24-L120 HydrophobicContact CD1-CD1 4.45Å; L30-L120 HydrophobicContact CD1-CD1 4.4Å; V63-L120 HydrophobicContact CG1-CB 3.72Å; V63-L120 HydrophobicContact CG1-CD1 3.65Å; V63-L120 HydrophobicContact CG1-CD2 4.06Å; V63-L120 HydrophobicContact CG1-CG 4.02Å; E64-L120 CarbonylContact O-C 3.6Å; E64-L120 VanDerWaalsContact O-CA 3.26Å; E64-L120 WeakPolarHBondContact O-CA 2.95Å; K65-L120 HydrophobicContact CB-CD2 4.47Å; K65-L120 HydrophobicContact CG-CD2 3.88Å; E116-L120 CarbonylContact C-O 3.49Å; E116-L120 VanDerWaalsContact CA-O 3.28Å; E116-L120 WeakPolarHBondContact CA-O 3.03Å; C117-L120 PolarHBondContact N-O 3.22Å; C117-L120 WeakPolarHBondContact O-CB 3.07Å; C117-L120 PolarHBondContact O-N 3.03Å; K118-L120 VanDerWaalsContact C-N 3.3Å; K118-L120 PolarHBondContact O-N 2.88Å
121	N	86.8	Confident	87.9	Confident	29 Å²	29	34.2 Å²	34.2	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.4	162.5	-76.3	-27.2	0	0	0	108.6	V63 E64 I73	V63-N121 WeakPolarHBondContact CA-O 3.46Å; E64-N121 PolarHBondContact N-O 3.33Å; E64-N121 PolarHBondContact O-N 3.44Å; E64-N121 VanDerWaalsContact O-O 3.13Å; I73-N121 HydrophobicContact CD1-CB 3.89Å; I73-N121 WeakPolarHBondContact CD1-O 3.21Å; I73-N121 HydrophobicContact CG2-CB 4.27Å
122	Y	87.1	Confident	88	Confident	20 Å²	20	33.1 Å²	33.1	8%	0.078	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.9	176.6	69.6	-90.6	0	0	0	112	L30 L31 L61 K62 Y113 S114 G115 C117	L30-Y122 HydrophobicContact CD2-CD1 4.14Å; L30-Y122 HydrophobicContact CD2-CG 4.31Å; L31-Y122 HydrophobicContact CD1-CE1 4.19Å; L31-Y122 HydrophobicContact CD1-CE2 3.56Å; L31-Y122 WeakPolarHBondContact CD1-OH 3.32Å; L31-Y122 HydrophobicContact CD2-CE1 3.87Å; L31-Y122 VanDerWaalsContact CD2-OH 3.23Å; L31-Y122 WeakPolarHBondContact CD2-OH 3.41Å; L31-Y122 HydrophobicContact CG-CE1 4.45Å; L61-Y122 HydrophobicContact CD1-CD2 3.49Å; L61-Y122 VanDerWaalsContact CD1-CD2 3.49Å; L61-Y122 HydrophobicContact CD1-CE2 4.32Å; L61-Y122 HydrophobicContact CD1-CG 4.08Å; K62-Y122 CarbonylContact O-C 3.52Å; K62-Y122 WeakPolarHBondContact O-CA 3.35Å; K62-Y122 WeakPolarHBondContact O-CB 3.48Å; Y113-Y122 AromaticContact CD2-CE2 3.94Å; Y113-Y122 HydrophobicContact CD2-CE2 3.94Å; Y113-Y122 AromaticContact CE2-CE2 3.96Å; Y113-Y122 HydrophobicContact CE2-CE2 3.96Å; S114-Y122 CarbonylContact C-O 3.52Å; S114-Y122 VanDerWaalsContact CA-O 3.22Å; S114-Y122 WeakPolarHBondContact CA-O 3.37Å; S114-Y122 WeakPolarHBondContact CB-O 3.49Å; G115-Y122 PolarHBondContact N-O 2.8Å; G115-Y122 WeakPolarHBondContact O-CD1 3.44Å; G115-Y122 WeakPolarHBondContact O-CE1 3.43Å; G115-Y122 PolarHBondContact O-N 3.44Å; C117-Y122 HydrophobicContact CB-CD1 4.31Å; C117-Y122 HydrophobicContact CB-CE1 3.86Å
123	Y	91.1	Very high	88.1	Confident	7 Å²	7	31.6 Å²	31.6	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.1	160	72	-91.2	0	0	0	111.8	L61 K62 I73 E76 V77 L80 F111 Y113 F125	L61-Y123 CarbonylContact C-O 3.57Å; L61-Y123 WeakPolarHBondContact CA-O 3.41Å; K62-Y123 HydrophobicContact CB-CD1 4.06Å; K62-Y123 HydrophobicContact CB-CE1 3.54Å; K62-Y123 HydrophobicContact CB-CE2 4.27Å; K62-Y123 HydrophobicContact CD-CE1 3.69Å; K62-Y123 VanDerWaalsContact CD-OH 3.23Å; K62-Y123 WeakPolarHBondContact CD-OH 3.05Å; K62-Y123 HydrophobicContact CG-CE1 3.93Å; K62-Y123 PolarHBondContact N-O 2.94Å; K62-Y123 PolarHBondContact O-N 3.32Å; I73-Y123 HydrophobicContact CG1-CD1 4.16Å; I73-Y123 HydrophobicContact CG1-CE1 4.28Å; I73-Y123 HydrophobicContact CG2-CD1 4.17Å; E76-Y123 HydrophobicContact CB-CE1 4.24Å; E76-Y123 PolarHBondContact OE2-OH 3.47Å; V77-Y123 HydrophobicContact CG2-CD1 3.83Å; V77-Y123 HydrophobicContact CG2-CG 3.83Å; L80-Y123 HydrophobicContact CD1-CD2 4Å; L80-Y123 HydrophobicContact CD1-CE2 3.43Å; L80-Y123 VanDerWaalsContact CD1-CE2 3.43Å; F111-Y123 HydrophobicContact CD2-CD2 4.39Å; F111-Y123 HydrophobicContact CE2-CD2 4.41Å; Y113-Y123 CarbonylContact O-C 3.45Å; Y113-Y123 VanDerWaalsContact O-CA 3.31Å; Y113-Y123 WeakPolarHBondContact O-CA 3.42Å; Y123-F125 HydrophobicContact CD2-CB 4.34Å; Y123-F125 AromaticContact CD2-CD1 3.69Å; Y123-F125 HydrophobicContact CD2-CD1 3.69Å; Y123-F125 HydrophobicContact CD2-CE1 4.42Å; Y123-F125 HydrophobicContact CD2-CG 4.35Å; Y123-F125 HydrophobicContact CE2-CB 4.28Å; Y123-F125 AromaticContact CE2-CD1 3.27Å; Y123-F125 HydrophobicContact CE2-CD1 3.27Å; Y123-F125 AromaticContact CE2-CE1 3.71Å; Y123-F125 HydrophobicContact CE2-CE1 3.71Å; Y123-F125 AromaticContact CE2-CG 3.92Å; Y123-F125 HydrophobicContact CE2-CG 3.92Å
124	A	89.7	Confident	88	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.1	177.1	0	0	0	0	0	110	V59 A60 L61 Y112 Y113	V59-A124 HydrophobicContact CG2-CB 4.46Å; A60-A124 CarbonylContact O-C 3.54Å; A60-A124 VanDerWaalsContact O-CA 3.28Å; A60-A124 WeakPolarHBondContact O-CA 3.49Å; L61-A124 HydrophobicContact CD1-CB 4.05Å; Y112-A124 WeakPolarHBondContact CB-O 3.3Å; Y112-A124 HydrophobicContact CD2-CB 4.48Å; Y112-A124 PolarHBondContact N-O 2.84Å; Y113-A124 HydrophobicContact CD1-CB 4.33Å; Y113-A124 HydrophobicContact CD2-CB 3.9Å; Y113-A124 HydrophobicContact CE1-CB 3.98Å; Y113-A124 HydrophobicContact CE2-CB 3.52Å; Y113-A124 HydrophobicContact CG-CB 4.29Å; Y113-A124 PolarHBondContact N-O 3.36Å; Y113-A124 PolarHBondContact O-N 3Å
125	F	91.9	Very high	88	Confident	16 Å²	16	28.8 Å²	28.8	7%	0.07	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	174.3	-179.1	66.2	-76.8	0	0	0	110.9	V47 A60 K62 P109 E110 Y112 Y123 L127	V47-F125 HydrophobicContact CG1-CE1 4.33Å; V47-F125 HydrophobicContact CG1-CZ 4.1Å; A60-F125 HydrophobicContact CB-CD1 3.98Å; A60-F125 HydrophobicContact CB-CD2 4.11Å; A60-F125 HydrophobicContact CB-CE1 3.58Å; A60-F125 HydrophobicContact CB-CE2 3.73Å; A60-F125 HydrophobicContact CB-CG 4.24Å; A60-F125 HydrophobicContact CB-CZ 3.46Å; A60-F125 VanDerWaalsContact CB-CZ 3.46Å; A60-F125 PolarHBondContact N-O 2.98Å; A60-F125 WeakPolarHBondContact O-CD1 3.3Å; A60-F125 PolarHBondContact O-N 3.37Å; K62-F125 HydrophobicContact CB-CE1 4.23Å; P109-F125 HydrophobicContact CB-CD2 3.95Å; E110-F125 CarbonylContact O-C 3.57Å; E110-F125 WeakPolarHBondContact O-CA 3.37Å; E110-F125 VanDerWaalsContact O-CB 3.29Å; E110-F125 WeakPolarHBondContact O-CB 3.36Å; Y112-F125 VanDerWaalsContact CD2-C 3.45Å; Y112-F125 VanDerWaalsContact CE2-O 3.27Å; Y112-F125 WeakPolarHBondContact CE2-O 3.49Å; Y123-F125 HydrophobicContact CD2-CB 4.34Å; Y123-F125 AromaticContact CD2-CD1 3.69Å; Y123-F125 HydrophobicContact CD2-CD1 3.69Å; Y123-F125 HydrophobicContact CD2-CE1 4.42Å; Y123-F125 HydrophobicContact CD2-CG 4.35Å; Y123-F125 HydrophobicContact CE2-CB 4.28Å; Y123-F125 AromaticContact CE2-CD1 3.27Å; Y123-F125 HydrophobicContact CE2-CD1 3.27Å; Y123-F125 AromaticContact CE2-CE1 3.71Å; Y123-F125 HydrophobicContact CE2-CE1 3.71Å; Y123-F125 AromaticContact CE2-CG 3.92Å; Y123-F125 HydrophobicContact CE2-CG 3.92Å; F125-L127 PolarHBondContact O-N 2.71Å
126	Q	90.2	Very high	88.2	Confident	33 Å²	33	27.9 Å²	27.9	15%	0.154	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	129.5	-179.7	-171.2	-179.6	5.6	0	0	111.3	P109 E110 Y112 L128 Y192	P109-Q126 HydrophobicContact CB-CB 4.27Å; E110-Q126 HydrophobicContact CB-CB 4.01Å; E110-Q126 PolarHBondContact O-N 3.3Å; Y112-Q126 VanDerWaalsContact CE2-N 3.32Å; Q126-L128 HydrophobicContact CB-CD2 4.46Å; Q126-L128 HydrophobicContact CG-CD2 4.11Å; Q126-L128 PolarHBondContact O-N 3Å; Q126-Y192 PolarHBondContact NE2-OH 3.24Å
127	L	86.7	Confident	88.4	Confident	13 Å²	13	28 Å²	28	7%	0.068	15%	0.149	C	C	.	.			trans	-69.3	123.4	170.4	-178.8	67.2	0	0	0	109.4	I17 K49 Y58 A60 F125 Y182	I17-L127 HydrophobicContact CD1-CD1 3.87Å; K49-L127 HydrophobicContact CD-CD2 4.02Å; K49-L127 HydrophobicContact CG-CD1 4.22Å; K49-L127 HydrophobicContact CG-CD2 4.14Å; Y58-L127 HydrophobicContact CG-CD2 4.5Å; A60-L127 HydrophobicContact CB-CD1 4.27Å; F125-L127 PolarHBondContact O-N 2.71Å; L127-Y182 HydrophobicContact CD2-CD1 3.82Å; L127-Y182 HydrophobicContact CD2-CD2 4.42Å; L127-Y182 HydrophobicContact CD2-CE1 3.83Å; L127-Y182 HydrophobicContact CD2-CE2 4.42Å; L127-Y182 HydrophobicContact CD2-CG 4.13Å; L127-Y182 HydrophobicContact CG-CD1 4.31Å; L127-Y182 HydrophobicContact CG-CG 4.24Å; L127-Y182 WeakPolarHBondContact O-CB 3.1Å
128	L	89.1	Confident	88.8	Confident	9 Å²	9	28.5 Å²	28.5	5%	0.047	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	166.4	178.7	-57.4	177	0	0	0	111.8	P109 Q126 M179 Y192 I194	P109-L128 HydrophobicContact CB-CD1 4.19Å; P109-L128 HydrophobicContact CG-CD1 3.89Å; Q126-L128 HydrophobicContact CB-CD2 4.46Å; Q126-L128 HydrophobicContact CG-CD2 4.11Å; Q126-L128 PolarHBondContact O-N 3Å; L128-M179 HydrophobicContact CB-CB 4.07Å; L128-M179 HydrophobicContact CB-CE 4.36Å; L128-M179 HydrophobicContact CB-SD 4.12Å; L128-M179 HydrophobicContact CD1-CB 3.96Å; L128-M179 HydrophobicContact CD1-SD 4.18Å; L128-Y192 HydrophobicContact CD1-CG 4.29Å; L128-Y192 HydrophobicContact CD2-CD1 4.19Å; L128-Y192 HydrophobicContact CD2-CD2 3.65Å; L128-Y192 HydrophobicContact CD2-CE1 4.47Å; L128-Y192 HydrophobicContact CD2-CE2 3.96Å; L128-Y192 HydrophobicContact CD2-CG 3.77Å; L128-I194 HydrophobicContact CD1-CG2 3.51Å
129	G	86.6	Confident	89.2	Confident	13 Å²	13	21.8 Å²	21.8	13%	0.134	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-130.9	-177.5	0	0	0	0	0	112.2	M179 I180	G129-M179 WeakPolarHBondContact O-CE 3.17Å; G129-I180 WeakPolarHBondContact CA-O 3.41Å; G129-I180 PolarHBondContact N-O 2.76Å
130	V	87.1	Confident	89.5	Confident	13 Å²	13	21.8 Å²	21.8	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.2	-176.7	-176.7	0	0	0	0	109.7	L9 L12 T134 L135 I180	L9-V130 HydrophobicContact CD2-CB 4.4Å; L9-V130 HydrophobicContact CD2-CG2 3.85Å; L12-V130 HydrophobicContact CB-CG2 4.31Å; L12-V130 HydrophobicContact CD1-CG1 3.83Å; L12-V130 HydrophobicContact CD1-CG2 4.19Å; V130-T134 HydrophobicContact CG1-CG2 3.61Å; V130-L135 HydrophobicContact CB-CD1 4.45Å; V130-L135 HydrophobicContact CB-CD2 3.84Å; V130-L135 HydrophobicContact CB-CG 3.99Å; V130-L135 HydrophobicContact CG1-CD2 3.86Å; V130-L135 HydrophobicContact CG1-CG 3.8Å; V130-L135 HydrophobicContact CG2-CD2 4.49Å; V130-I180 WeakPolarHBondContact O-CG1 3.42Å; V130-I180 PolarHBondContact O-N 2.94Å
131	N	91.3	Very high	89.7	Confident	33 Å²	33	24.4 Å²	24.4	18%	0.176	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	154.9	171.7	68.8	61.8	0	0	0	113.9	S133 T134 L135 S176 F178 M179	N131-S133 PolarHBondContact O-N 3.43Å; N131-S133 WeakPolarHBondContact OD1-CA 3.45Å; N131-S133 WeakPolarHBondContact OD1-CB 3.39Å; N131-S133 PolarHBondContact OD1-N 3.21Å; N131-S133 VanDerWaalsContact OD1-N 3.14Å; N131-T134 PolarHBondContact O-N 3.2Å; N131-T134 PolarHBondContact OD1-N 3.34Å; N131-T134 PolarHBondContact OD1-OG1 3.32Å; N131-L135 WeakPolarHBondContact O-CG 3.38Å; N131-L135 PolarHBondContact O-N 2.87Å; N131-L135 VanDerWaalsContact O-N 3.09Å; N131-S176 WeakPolarHBondContact CB-O 3.22Å; N131-F178 CarbonylContact C-O 3.6Å; N131-F178 WeakPolarHBondContact CA-O 3.31Å; N131-F178 WeakPolarHBondContact CB-O 3.18Å; N131-M179 HydrophobicContact CB-CG 4.02Å
132	L	95.1	Very high	90	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-30.1	-178.9	-63.6	-176.5	0	0	0	112.6	L135 R136 V152 T175 F178 I180 V191 M251 W329	L132-L135 HydrophobicContact CD2-CD1 4.22Å; L132-L135 PolarHBondContact O-N 2.92Å; L132-R136 WeakPolarHBondContact O-CB 3.37Å; L132-R136 PolarHBondContact O-N 3.02Å; L132-V152 HydrophobicContact CD1-CG1 3.58Å; L132-T175 WeakPolarHBondContact CB-O 3.47Å; L132-T175 PolarHBondContact N-O 3.34Å; L132-F178 HydrophobicContact CB-CB 4.47Å; L132-F178 HydrophobicContact CD1-CB 3.49Å; L132-F178 VanDerWaalsContact CD1-CB 3.49Å; L132-F178 HydrophobicContact CD1-CD2 4.43Å; L132-F178 HydrophobicContact CD1-CG 4.17Å; L132-F178 HydrophobicContact CG-CB 3.75Å; L132-F178 PolarHBondContact N-O 3.08Å; L132-I180 HydrophobicContact CD2-CG2 4.36Å; L132-V191 HydrophobicContact CD1-CG1 4.38Å; L132-M251 HydrophobicContact CD1-SD 4.04Å; L132-W329 HydrophobicContact CD2-CH2 4.33Å; L132-W329 HydrophobicContact CD2-CZ3 4.24Å
133	S	94.4	Very high	90.4	Very high	12 Å²	12	25.1 Å²	25.1	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-48.7	177.2	-157.5	0	0	0	0	111.5	N131 K137 T175	N131-S133 PolarHBondContact O-N 3.43Å; N131-S133 WeakPolarHBondContact OD1-CA 3.45Å; N131-S133 WeakPolarHBondContact OD1-CB 3.39Å; N131-S133 PolarHBondContact OD1-N 3.21Å; N131-S133 VanDerWaalsContact OD1-N 3.14Å; S133-K137 WeakPolarHBondContact O-CB 3.26Å; S133-K137 VanDerWaalsContact O-CG 3.26Å; S133-K137 WeakPolarHBondContact O-CG 3.39Å; S133-K137 PolarHBondContact O-N 3.4Å; S133-K137 VanDerWaalsContact O-N 3.08Å; S133-T175 WeakPolarHBondContact CB-OG1 3.47Å; S133-T175 PolarHBondContact N-O 3.26Å; S133-T175 PolarHBondContact OG-OG1 2.73Å
134	T	89.1	Confident	90.6	Very high	46 Å²	46	24.8 Å²	24.8	28%	0.282	16%	0.156	S	C	.	.	H	α-helix	trans	-69.2	-43.5	179.9	-61.5	0	0	0	0	111	L12 V130 N131 R136 K137 A138	L12-T134 HydrophobicContact CD1-CG2 3.79Å; L12-T134 HydrophobicContact CD2-CG2 3.39Å; L12-T134 HydrophobicContact CG-CG2 4.22Å; V130-T134 HydrophobicContact CG1-CG2 3.61Å; N131-T134 PolarHBondContact O-N 3.2Å; N131-T134 PolarHBondContact OD1-N 3.34Å; N131-T134 PolarHBondContact OD1-OG1 3.32Å; T134-R136 VanDerWaalsContact C-N 3.34Å; T134-R136 PolarHBondContact O-N 3.25Å; T134-K137 PolarHBondContact O-N 3.4Å; T134-A138 WeakPolarHBondContact O-CB 3.41Å; T134-A138 PolarHBondContact O-N 2.93Å; T134-A138 VanDerWaalsContact O-N 3.08Å
135	L	90.6	Very high	90.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-45.1	176.3	-66.7	173.4	0	0	0	111.7	V8 L9 L12 V130 N131 L132 A138 C139 F144 I180 W329	V8-L135 HydrophobicContact CG1-CB 4.48Å; V8-L135 HydrophobicContact CG1-CD2 3.45Å; V8-L135 VanDerWaalsContact CG1-CD2 3.45Å; L9-L135 HydrophobicContact CD2-CD2 3.77Å; L12-L135 HydrophobicContact CD1-CD2 4Å; V130-L135 HydrophobicContact CB-CD1 4.45Å; V130-L135 HydrophobicContact CB-CD2 3.84Å; V130-L135 HydrophobicContact CB-CG 3.99Å; V130-L135 HydrophobicContact CG1-CD2 3.86Å; V130-L135 HydrophobicContact CG1-CG 3.8Å; V130-L135 HydrophobicContact CG2-CD2 4.49Å; N131-L135 WeakPolarHBondContact O-CG 3.38Å; N131-L135 PolarHBondContact O-N 2.87Å; N131-L135 VanDerWaalsContact O-N 3.09Å; L132-L135 HydrophobicContact CD2-CD1 4.22Å; L132-L135 PolarHBondContact O-N 2.92Å; L135-A138 PolarHBondContact O-N 2.93Å; L135-C139 PolarHBondContact O-N 3.36Å; L135-C139 PolarHBondContact O-SG 3.25Å; L135-F144 HydrophobicContact CB-CE1 4.16Å; L135-F144 HydrophobicContact CB-CZ 3.83Å; L135-I180 HydrophobicContact CD1-CD1 3.95Å; L135-I180 HydrophobicContact CD1-CG1 4.21Å; L135-I180 HydrophobicContact CD1-CG2 3.7Å; L135-W329 HydrophobicContact CB-CE3 4.5Å; L135-W329 HydrophobicContact CD1-CD2 4.02Å; L135-W329 HydrophobicContact CD1-CE3 3.95Å; L135-W329 HydrophobicContact CD1-CG 4.33Å; L135-W329 HydrophobicContact CD1-CZ3 4.45Å; L135-W329 HydrophobicContact CD2-CB 3.82Å; L135-W329 HydrophobicContact CD2-CG 4.34Å
136	R	94	Very high	91	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.038	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-49	178.2	179.5	-172.3	67.3	78.7	-13.5	111.4	L132 T134 A138 C139 C142 F144 E250 G254	L132-R136 WeakPolarHBondContact O-CB 3.37Å; L132-R136 PolarHBondContact O-N 3.02Å; T134-R136 VanDerWaalsContact C-N 3.34Å; T134-R136 PolarHBondContact O-N 3.25Å; R136-A138 PolarHBondContact O-N 3.15Å; R136-C139 WeakPolarHBondContact O-CB 3.05Å; R136-C139 PolarHBondContact O-N 3.22Å; R136-C139 VanDerWaalsContact O-N 3.07Å; R136-C142 WeakPolarHBondContact CD-O 3.47Å; R136-C142 WeakPolarHBondContact CG-O 3.48Å; R136-C142 PolarHBondContact NH1-O 3.05Å; R136-C142 CarbonylContact O-C 3.58Å; R136-C142 WeakPolarHBondContact O-CA 3.39Å; R136-F144 VanDerWaalsContact CA-CE1 3.47Å; R136-F144 VanDerWaalsContact CA-CZ 3.47Å; R136-F144 HydrophobicContact CB-CE1 4.07Å; R136-F144 HydrophobicContact CB-CE2 3.89Å; R136-F144 HydrophobicContact CB-CZ 3.64Å; R136-F144 HydrophobicContact CG-CE2 4.49Å; R136-F144 VanDerWaalsContact N-CZ 3.32Å; R136-E250 IonicContact CZ-OE2 2.75Å; R136-E250 VanDerWaalsContact CZ-OE2 3.31Å; R136-E250 IonicContact NE-OE2 3.34Å; R136-E250 PolarHBondContact NE-OE2 3.1Å; R136-E250 VanDerWaalsContact NE-OE2 3.11Å; R136-E250 IonicContact NH2-OE1 2.6Å; R136-E250 PolarHBondContact NH2-OE1 3.38Å; R136-E250 IonicContact NH2-OE2 2.7Å; R136-E250 PolarHBondContact NH2-OE2 3.19Å; R136-G254 PolarHBondContact NH1-O 3.06Å
137	K	91.1	Very high	91.2	Very high	123 Å²	123	26.2 Å²	26.2	54%	0.535	17%	0.165	S	C	.	.	H	α-helix	trans	-63.2	-28.7	179.5	-73.1	168.9	-176.4	168.7	0	113	S133 T134 C139	S133-K137 WeakPolarHBondContact O-CB 3.26Å; S133-K137 VanDerWaalsContact O-CG 3.26Å; S133-K137 WeakPolarHBondContact O-CG 3.39Å; S133-K137 PolarHBondContact O-N 3.4Å; S133-K137 VanDerWaalsContact O-N 3.08Å; T134-K137 PolarHBondContact O-N 3.4Å; K137-C139 VanDerWaalsContact C-N 3.32Å
138	A	87.8	Confident	91.7	Very high	35 Å²	35	25.6 Å²	25.6	29%	0.289	16%	0.162	S	C	.	.	H	α-helix	trans	-78.5	-15.9	175.8	0	0	0	0	0	113.4	V8 L12 T134 L135 R136	V8-A138 HydrophobicContact CG1-CB 3.78Å; V8-A138 HydrophobicContact CG2-CB 4.39Å; L12-A138 HydrophobicContact CD1-CB 4.43Å; T134-A138 WeakPolarHBondContact O-CB 3.41Å; T134-A138 PolarHBondContact O-N 2.93Å; T134-A138 VanDerWaalsContact O-N 3.08Å; L135-A138 PolarHBondContact O-N 2.93Å; R136-A138 PolarHBondContact O-N 3.15Å
139	C	89.1	Confident	92.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	16%	0.16	C	C	.	.	S	Bend	trans	-81	142	173.4	-66	0	0	0	0	110.1	L135 R136 K137 C142 S143 F144	L135-C139 PolarHBondContact O-N 3.36Å; L135-C139 PolarHBondContact O-SG 3.25Å; R136-C139 WeakPolarHBondContact O-CB 3.05Å; R136-C139 PolarHBondContact O-N 3.22Å; R136-C139 VanDerWaalsContact O-N 3.07Å; K137-C139 VanDerWaalsContact C-N 3.32Å; C139-C142 VanDerWaalsContact O-CA 3.3Å; C139-C142 WeakPolarHBondContact O-CA 3.32Å; C139-C142 PolarHBondContact O-N 2.8Å; C139-S143 WeakPolarHBondContact CB-O 3.46Å; C139-F144 HydrophobicContact CB-CD1 4.47Å
140	P	87.1	Confident	92.7	Very high	35 Å²	35	24.6 Å²	24.6	23%	0.227	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.1	148.5	179	6.2	-12.1	0	0	0	112.4	C142 L333 L336 R341	P140-C142 PolarHBondContact O-N 3.29Å; P140-C142 VanDerWaalsContact O-N 3.17Å; P140-L333 HydrophobicContact CG-CD1 4.08Å; P140-L336 HydrophobicContact CG-CB 4.16Å; P140-R341 VanDerWaalsContact C-NH1 3.26Å; P140-R341 VanDerWaalsContact CG-NH1 3.26Å; P140-R341 VanDerWaalsContact CG-NH2 3.3Å; P140-R341 PolarHBondContact O-NE 2.99Å; P140-R341 PolarHBondContact O-NH1 3.19Å; P140-R341 PolarHBondContact O-NH2 2.95Å
141	G	88.4	Confident	93.2	Very high	63 Å²	63	24.1 Å²	24.1	65%	0.649	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	68.9	2.4	-168.8	0	0	0	0	0	114.8	S143	G141-S143 PolarHBondContact O-N 3.11Å
142	C	93.5	Very high	93.5	Very high	55 Å²	55	22.5 Å²	22.5	37%	0.372	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	54.4	34.9	-172.8	-55.8	0	0	0	0	112	R136 C139 P140 G254	R136-C142 WeakPolarHBondContact CD-O 3.47Å; R136-C142 WeakPolarHBondContact CG-O 3.48Å; R136-C142 PolarHBondContact NH1-O 3.05Å; R136-C142 CarbonylContact O-C 3.58Å; R136-C142 WeakPolarHBondContact O-CA 3.39Å; C139-C142 VanDerWaalsContact O-CA 3.3Å; C139-C142 WeakPolarHBondContact O-CA 3.32Å; C139-C142 PolarHBondContact O-N 2.8Å; P140-C142 PolarHBondContact O-N 3.29Å; P140-C142 VanDerWaalsContact O-N 3.17Å; C142-G254 WeakPolarHBondContact O-CA 3.37Å
143	S	95.2	Very high	93.7	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.063	14%	0.142	C	C	.	.			trans	-139.6	161.1	-177.9	68.6	0	0	0	0	112.2	C139 G141 M251 I252	C139-S143 WeakPolarHBondContact CB-O 3.46Å; G141-S143 PolarHBondContact O-N 3.11Å; S143-M251 WeakPolarHBondContact CA-O 3.34Å; S143-M251 WeakPolarHBondContact CB-O 3.31Å; S143-I252 WeakPolarHBondContact CB-O 3.47Å
144	F	95.3	Very high	93.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.141	C	C	.	.			trans	-96	158	172.4	-64.1	-42.2	0	0	0	111.4	L135 R136 C139 T148 V149 M251 D328 W329	L135-F144 HydrophobicContact CB-CE1 4.16Å; L135-F144 HydrophobicContact CB-CZ 3.83Å; R136-F144 VanDerWaalsContact CA-CE1 3.47Å; R136-F144 VanDerWaalsContact CA-CZ 3.47Å; R136-F144 HydrophobicContact CB-CE1 4.07Å; R136-F144 HydrophobicContact CB-CE2 3.89Å; R136-F144 HydrophobicContact CB-CZ 3.64Å; R136-F144 HydrophobicContact CG-CE2 4.49Å; R136-F144 VanDerWaalsContact N-CZ 3.32Å; C139-F144 HydrophobicContact CB-CD1 4.47Å; F144-T148 HydrophobicContact CB-CG2 3.75Å; F144-T148 HydrophobicContact CD1-CG2 4.07Å; F144-T148 HydrophobicContact CD2-CG2 4.01Å; F144-T148 HydrophobicContact CG-CG2 3.69Å; F144-V149 HydrophobicContact CB-CG2 3.69Å; F144-M251 HydrophobicContact CD2-CB 3.93Å; F144-M251 HydrophobicContact CD2-CG 3.86Å; F144-M251 HydrophobicContact CD2-SD 3.83Å; F144-M251 HydrophobicContact CE2-CG 4.04Å; F144-M251 HydrophobicContact CE2-SD 3.83Å; F144-M251 PolarHBondContact N-O 3.34Å; F144-D328 WeakPolarHBondContact CA-OD2 3.33Å; F144-D328 HydrophobicContact CD1-CB 4.07Å; F144-W329 HydrophobicContact CE1-CE3 4.19Å; F144-W329 HydrophobicContact CE1-CZ3 4.38Å; F144-W329 HydrophobicContact CZ-CE3 4.29Å; F144-W329 HydrophobicContact CZ-CZ3 4.17Å
145	T	94.4	Very high	94.3	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.055	13%	0.13	C	C	.	.			trans	-70.1	154.2	168.2	60.4	0	0	0	0	111	S147 T148 V149 D328 L339	T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.37Å; T145-T148 PolarHBondContact O-N 2.55Å; T145-T148 PolarHBondContact OG1-OG1 3.42Å; T145-V149 WeakPolarHBondContact O-CG2 3.49Å; T145-V149 PolarHBondContact O-N 3.5Å; T145-D328 WeakPolarHBondContact CG2-OD1 3.25Å; T145-D328 PolarHBondContact N-OD2 2.92Å; T145-D328 PolarHBondContact OG1-OD1 3.35Å; T145-D328 PolarHBondContact OG1-OD2 3.01Å; T145-L339 HydrophobicContact CG2-CB 4.11Å; T145-L339 HydrophobicContact CG2-CD1 4.03Å
146	F	94.8	Very high	94.7	Very high	52 Å²	52	20.7 Å²	20.7	23%	0.228	13%	0.13	C	C	.	.	H	α-helix	trans	-54.7	-44	177.1	-67.1	-47.3	0	0	0	112.3	T148 V149 H150 I252 P284 P342	F146-T148 VanDerWaalsContact C-N 3.3Å; F146-T148 PolarHBondContact O-N 3.09Å; F146-V149 PolarHBondContact O-N 3.35Å; F146-H150 PolarHBondContact O-CD2 2.75Å; F146-H150 PolarHBondContact O-N 3.36Å; F146-I252 HydrophobicContact CD1-CG1 4.48Å; F146-I252 HydrophobicContact CD1-CG2 4.35Å; F146-I252 HydrophobicContact CE1-CD1 4.47Å; F146-I252 HydrophobicContact CE1-CG1 4.45Å; F146-I252 HydrophobicContact CE1-CG2 3.63Å; F146-I252 HydrophobicContact CZ-CG2 4.49Å; F146-P284 HydrophobicContact CD1-CG 3.63Å; F146-P284 HydrophobicContact CE1-CG 3.44Å; F146-P284 VanDerWaalsContact CE1-CG 3.44Å; F146-P284 HydrophobicContact CE2-CG 4.45Å; F146-P284 HydrophobicContact CG-CG 4.22Å; F146-P284 HydrophobicContact CZ-CG 3.88Å; F146-P342 HydrophobicContact CD1-CG 4.45Å; F146-P342 HydrophobicContact CE1-CB 4.15Å; F146-P342 HydrophobicContact CE1-CG 3.74Å; F146-P342 HydrophobicContact CE2-CB 4.23Å; F146-P342 HydrophobicContact CE2-CG 4.18Å; F146-P342 HydrophobicContact CZ-CB 3.59Å; F146-P342 HydrophobicContact CZ-CG 3.59Å
147	S	95.5	Very high	94.9	Very high	19 Å²	19	20.2 Å²	20.2	13%	0.133	13%	0.128	C	C	.	.	H	α-helix	trans	-51.3	-46.4	174.1	168.5	0	0	0	0	112.9	T145 R151 V321	T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.37Å; S147-R151 PolarHBondContact O-NE 2.65Å; S147-R151 PolarHBondContact OG-NH2 2.92Å; S147-V321 WeakPolarHBondContact OG-CG1 3.26Å
148	T	96.7	Very high	95.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-46.1	176.6	-72.5	0	0	0	0	111	F144 T145 F146 H150 R151 V152 Y327 D328 W329	F144-T148 HydrophobicContact CB-CG2 3.75Å; F144-T148 HydrophobicContact CD1-CG2 4.07Å; F144-T148 HydrophobicContact CD2-CG2 4.01Å; F144-T148 HydrophobicContact CG-CG2 3.69Å; T145-T148 PolarHBondContact O-N 2.55Å; T145-T148 PolarHBondContact OG1-OG1 3.42Å; F146-T148 VanDerWaalsContact C-N 3.3Å; F146-T148 PolarHBondContact O-N 3.09Å; T148-H150 PolarHBondContact O-N 2.81Å; T148-R151 PolarHBondContact O-N 3.31Å; T148-V152 HydrophobicContact CG2-CG2 4.2Å; T148-V152 WeakPolarHBondContact O-CB 3.19Å; T148-V152 VanDerWaalsContact O-CG2 3.27Å; T148-V152 WeakPolarHBondContact O-CG2 3.11Å; T148-V152 PolarHBondContact O-N 2.99Å; T148-Y327 HydrophobicContact CG2-CD1 4.02Å; T148-D328 PolarHBondContact OG1-N 3.13Å; T148-D328 PolarHBondContact OG1-OD1 2.71Å; T148-W329 HydrophobicContact CG2-CE3 4.44Å; T148-W329 HydrophobicContact CG2-CH2 4.3Å; T148-W329 HydrophobicContact CG2-CZ3 3.71Å
149	V	98	Very high	95.7	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-46	-177	174.3	0	0	0	0	112.1	F144 T145 F146 R151 V152 A153 I248 M251 I252	F144-V149 HydrophobicContact CB-CG2 3.69Å; T145-V149 WeakPolarHBondContact O-CG2 3.49Å; T145-V149 PolarHBondContact O-N 3.5Å; F146-V149 PolarHBondContact O-N 3.35Å; V149-R151 PolarHBondContact O-N 3.26Å; V149-V152 PolarHBondContact O-N 3.18Å; V149-A153 VanDerWaalsContact O-CB 3.27Å; V149-A153 WeakPolarHBondContact O-CB 3.45Å; V149-A153 PolarHBondContact O-N 2.89Å; V149-I248 HydrophobicContact CG1-CG2 3.89Å; V149-M251 HydrophobicContact CG1-CE 4.42Å; V149-M251 HydrophobicContact CG2-CB 3.98Å; V149-I252 HydrophobicContact CB-CG1 4.18Å; V149-I252 HydrophobicContact CG1-CD1 3.98Å; V149-I252 HydrophobicContact CG1-CG1 3.75Å; V149-I252 HydrophobicContact CG2-CG1 3.84Å
150	H	97.7	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-44.9	-177.4	-65.8	-62.1	0	0	0	111.9	F146 T148 A153 V154 F312 T315 M316 E319	F146-H150 PolarHBondContact O-CD2 2.75Å; F146-H150 PolarHBondContact O-N 3.36Å; T148-H150 PolarHBondContact O-N 2.81Å; H150-A153 PolarHBondContact O-N 3.13Å; H150-V154 WeakPolarHBondContact O-CG2 3.43Å; H150-V154 PolarHBondContact O-N 2.91Å; H150-V154 VanDerWaalsContact O-N 3.08Å; H150-F312 HydrophobicContact CB-CD1 4.28Å; H150-F312 AromaticContact ND1-CD1 3.39Å; H150-F312 WeakPolarHBondContact ND1-CD1 3.15Å; H150-F312 AromaticContact ND1-CE1 3.98Å; H150-T315 VanDerWaalsContact CE1-CG2 3.5Å; H150-T315 WeakPolarHBondContact CE1-CG2 3.14Å; H150-M316 HydrophobicContact CB-CG 3.41Å; H150-M316 VanDerWaalsContact CB-CG 3.41Å; H150-M316 HydrophobicContact CB-SD 3.72Å; H150-E319 IonicContact NE2-OE2 2.83Å
151	R	98	Very high	96.6	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.011	9%	0.094	C	C	.	.	H	α-helix	trans	-69	-36.4	178.9	-67.8	177.5	-67.6	144.4	-8	112.7	S147 T148 V149 Q155 M316 D325 D326 Y327	S147-R151 PolarHBondContact O-NE 2.65Å; S147-R151 PolarHBondContact OG-NH2 2.92Å; T148-R151 PolarHBondContact O-N 3.31Å; V149-R151 PolarHBondContact O-N 3.26Å; R151-Q155 WeakPolarHBondContact O-CG 3.33Å; R151-Q155 PolarHBondContact O-N 2.84Å; R151-M316 HydrophobicContact CG-CE 3.53Å; R151-M316 HydrophobicContact CG-SD 3.89Å; R151-D325 PolarHBondContact NH1-O 3.36Å; R151-D325 PolarHBondContact NH2-O 3.36Å; R151-D326 PolarHBondContact NH2-O 3.06Å; R151-Y327 HydrophobicContact CB-CE1 3.84Å; R151-Y327 WeakPolarHBondContact CB-OH 3.44Å; R151-Y327 VanDerWaalsContact NH1-CE2 3.31Å
152	V	98.4	Very high	97	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.5	-42.7	172.5	169.7	0	0	0	0	111	L132 T148 V149 V154 Q155 C156 V191 M251 Y327 W329	L132-V152 HydrophobicContact CD1-CG1 3.58Å; T148-V152 HydrophobicContact CG2-CG2 4.2Å; T148-V152 WeakPolarHBondContact O-CB 3.19Å; T148-V152 VanDerWaalsContact O-CG2 3.27Å; T148-V152 WeakPolarHBondContact O-CG2 3.11Å; T148-V152 PolarHBondContact O-N 2.99Å; V149-V152 PolarHBondContact O-N 3.18Å; V152-V154 PolarHBondContact O-N 3.3Å; V152-Q155 PolarHBondContact O-N 3.25Å; V152-C156 PolarHBondContact O-N 3.4Å; V152-C156 PolarHBondContact O-SG 3.18Å; V152-V191 HydrophobicContact CG2-CG2 4.4Å; V152-M251 HydrophobicContact CG1-CE 3.91Å; V152-M251 HydrophobicContact CG1-SD 3.93Å; V152-Y327 HydrophobicContact CG2-CD1 4.32Å; V152-Y327 HydrophobicContact CG2-CE1 3.95Å; V152-W329 HydrophobicContact CG2-CH2 3.65Å; V152-W329 HydrophobicContact CG2-CZ3 4.17Å
153	A	98.7	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.6	-45.1	179.6	0	0	0	0	0	111.5	V149 H150 Q155 C156 I157 I248 F312	V149-A153 VanDerWaalsContact O-CB 3.27Å; V149-A153 WeakPolarHBondContact O-CB 3.45Å; V149-A153 PolarHBondContact O-N 2.89Å; H150-A153 PolarHBondContact O-N 3.13Å; A153-Q155 PolarHBondContact O-N 3.18Å; A153-C156 PolarHBondContact O-N 3.41Å; A153-I157 WeakPolarHBondContact O-CD1 3.34Å; A153-I157 VanDerWaalsContact O-CG1 3.24Å; A153-I157 WeakPolarHBondContact O-CG1 3.42Å; A153-I157 PolarHBondContact O-N 3.42Å; A153-I248 HydrophobicContact CB-CD1 3.74Å; A153-I248 HydrophobicContact CB-CG1 4.15Å; A153-F312 HydrophobicContact CB-CD1 3.58Å; A153-F312 HydrophobicContact CB-CD2 4.28Å; A153-F312 HydrophobicContact CB-CE1 3.51Å; A153-F312 HydrophobicContact CB-CE2 4.23Å; A153-F312 HydrophobicContact CB-CG 4.01Å; A153-F312 HydrophobicContact CB-CZ 3.89Å
154	V	98.5	Very high	97.1	Very high	10 Å²	10	10.7 Å²	10.7	6%	0.061	5%	0.051	C	C	.	.	H	α-helix	trans	-55	-51.1	174	171	0	0	0	0	111	H150 V152 C156 I157 E158 I309 F312 K313	H150-V154 WeakPolarHBondContact O-CG2 3.43Å; H150-V154 PolarHBondContact O-N 2.91Å; H150-V154 VanDerWaalsContact O-N 3.08Å; V152-V154 PolarHBondContact O-N 3.3Å; V154-C156 VanDerWaalsContact C-N 3.34Å; V154-C156 PolarHBondContact O-N 3.46Å; V154-I157 PolarHBondContact O-N 3.26Å; V154-E158 WeakPolarHBondContact O-CG 3.39Å; V154-E158 PolarHBondContact O-N 2.86Å; V154-I309 HydrophobicContact CG1-CG2 4.11Å; V154-F312 HydrophobicContact CG2-CB 3.72Å; V154-K313 HydrophobicContact CG2-CG 4.28Å
155	Q	98.2	Very high	97	Very high	10 Å²	10	12.7 Å²	12.7	5%	0.047	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-38.8	179	-67.7	-172	68.7	0	0	112.8	H107 R151 V152 A153 E158 A159 R189 V191 Y327	H107-Q155 PolarHBondContact CE1-OE1 3.3Å; R151-Q155 WeakPolarHBondContact O-CG 3.33Å; R151-Q155 PolarHBondContact O-N 2.84Å; V152-Q155 PolarHBondContact O-N 3.25Å; A153-Q155 PolarHBondContact O-N 3.18Å; Q155-E158 PolarHBondContact O-N 3.19Å; Q155-A159 WeakPolarHBondContact O-CB 3.23Å; Q155-A159 PolarHBondContact O-N 3.01Å; Q155-R189 PolarHBondContact NE2-O 2.84Å; Q155-R189 PolarHBondContact OE1-O 3.1Å; Q155-V191 HydrophobicContact CB-CB 4.18Å; Q155-V191 HydrophobicContact CB-CG2 4.5Å; Q155-Y327 PolarHBondContact NE2-OH 3.42Å
156	C	98.8	Very high	96.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.2	-40.3	175.7	-70.8	0	0	0	0	111.9	V152 A153 V154 A159 I160 F178 L244	V152-C156 PolarHBondContact O-N 3.4Å; V152-C156 PolarHBondContact O-SG 3.18Å; A153-C156 PolarHBondContact O-N 3.41Å; V154-C156 VanDerWaalsContact C-N 3.34Å; V154-C156 PolarHBondContact O-N 3.46Å; C156-A159 PolarHBondContact O-N 3.15Å; C156-I160 VanDerWaalsContact O-CG1 3.3Å; C156-I160 WeakPolarHBondContact O-CG1 3.37Å; C156-I160 PolarHBondContact O-N 2.7Å; C156-F178 HydrophobicContact CB-CE1 3.97Å; C156-F178 HydrophobicContact CB-CE2 4.36Å; C156-F178 HydrophobicContact CB-CZ 3.8Å; C156-F178 VanDerWaalsContact SG-CE1 3.57Å; C156-L244 HydrophobicContact CB-CD1 3.59Å; C156-L244 HydrophobicContact CB-CD2 3.98Å; C156-L244 HydrophobicContact CB-CG 4.47Å
157	I	98.7	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.9	-43.3	176.1	-63.3	157.8	0	0	0	110.1	A153 V154 A159 I160 R161 L244 Y305 L308 I309 F312	A153-I157 WeakPolarHBondContact O-CD1 3.34Å; A153-I157 VanDerWaalsContact O-CG1 3.24Å; A153-I157 WeakPolarHBondContact O-CG1 3.42Å; A153-I157 PolarHBondContact O-N 3.42Å; V154-I157 PolarHBondContact O-N 3.26Å; I157-A159 VanDerWaalsContact C-N 3.35Å; I157-A159 PolarHBondContact O-N 2.94Å; I157-I160 PolarHBondContact O-N 2.89Å; I157-R161 VanDerWaalsContact O-CB 3.26Å; I157-R161 WeakPolarHBondContact O-CB 3.23Å; I157-R161 PolarHBondContact O-N 3.04Å; I157-L244 HydrophobicContact CG1-CD2 3.67Å; I157-Y305 HydrophobicContact CG2-CD1 4.23Å; I157-L308 HydrophobicContact CD1-CB 4.01Å; I157-L308 HydrophobicContact CG2-CB 4.17Å; I157-I309 HydrophobicContact CB-CG1 4.05Å; I157-I309 HydrophobicContact CG2-CD1 4.11Å; I157-I309 HydrophobicContact CG2-CG1 3.67Å; I157-F312 HydrophobicContact CD1-CD2 3.8Å; I157-F312 HydrophobicContact CD1-CE2 3.92Å
158	E	97.3	Very high	96.9	Very high	25 Å²	25	10.2 Å²	10.2	12%	0.117	5%	0.054	C	C	.	.	H	α-helix	trans	-58.3	-46	174.1	-71.9	178.4	167.7	0	0	111.1	R106 H107 V154 Q155 I160 R161 D162 I309	R106-E158 IonicContact NH1-OE2 3.47Å; R106-E158 PolarHBondContact NH1-OE2 2.83Å; H107-E158 IonicContact NE2-OE2 2.85Å; H107-E158 PolarHBondContact NE2-OE2 3.1Å; V154-E158 WeakPolarHBondContact O-CG 3.39Å; V154-E158 PolarHBondContact O-N 2.86Å; Q155-E158 PolarHBondContact O-N 3.19Å; E158-I160 PolarHBondContact O-N 3.5Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-D162 WeakPolarHBondContact O-CB 3.45Å; E158-D162 PolarHBondContact O-N 3.26Å; E158-I309 HydrophobicContact CG-CD1 3.76Å
159	A	97.6	Very high	97	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-61.2	-45.7	177.7	0	0	0	0	0	113	H107 Q155 C156 I157 D162 L163 F178 L193	H107-A159 HydrophobicContact CB-CB 3.45Å; H107-A159 VanDerWaalsContact CB-CB 3.45Å; Q155-A159 WeakPolarHBondContact O-CB 3.23Å; Q155-A159 PolarHBondContact O-N 3.01Å; C156-A159 PolarHBondContact O-N 3.15Å; I157-A159 VanDerWaalsContact C-N 3.35Å; I157-A159 PolarHBondContact O-N 2.94Å; A159-D162 PolarHBondContact O-N 3.07Å; A159-L163 PolarHBondContact O-N 2.89Å; A159-F178 HydrophobicContact CB-CE1 4.47Å; A159-L193 HydrophobicContact CB-CB 4.08Å
160	I	98.5	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.9	-44.3	178.9	-68.9	173.9	0	0	0	110.5	C156 I157 E158 D162 L163 H164 I173 F178 D240 L241 L244 Y305	C156-I160 VanDerWaalsContact O-CG1 3.3Å; C156-I160 WeakPolarHBondContact O-CG1 3.37Å; C156-I160 PolarHBondContact O-N 2.7Å; I157-I160 PolarHBondContact O-N 2.89Å; E158-I160 PolarHBondContact O-N 3.5Å; I160-D162 VanDerWaalsContact C-N 3.3Å; I160-D162 PolarHBondContact O-N 3.27Å; I160-L163 PolarHBondContact O-N 3.17Å; I160-H164 WeakPolarHBondContact CG2-CE1 3.27Å; I160-H164 WeakPolarHBondContact CG2-NE2 3.39Å; I160-H164 WeakPolarHBondContact O-CB 3.25Å; I160-H164 PolarHBondContact O-CD2 3.47Å; I160-H164 PolarHBondContact O-N 2.94Å; I160-I173 HydrophobicContact CD1-CD1 3.93Å; I160-I173 HydrophobicContact CD1-CG1 4.21Å; I160-I173 HydrophobicContact CD1-CG2 4.42Å; I160-I173 HydrophobicContact CG1-CD1 3.93Å; I160-F178 HydrophobicContact CD1-CZ 4.49Å; I160-D240 HydrophobicContact CG2-CB 4.28Å; I160-L241 HydrophobicContact CD1-CD2 4.38Å; I160-L241 HydrophobicContact CG2-CD2 4.05Å; I160-L244 HydrophobicContact CD1-CB 4Å; I160-L244 HydrophobicContact CD1-CD2 3.84Å; I160-L244 HydrophobicContact CD1-CG 4.37Å; I160-Y305 HydrophobicContact CG2-CE1 4.44Å
161	R	97.3	Very high	97	Very high	63 Å²	63	11.5 Å²	11.5	24%	0.238	6%	0.059	C	C	.	.	H	α-helix	trans	-54.3	-48.1	175.1	176.1	-160.9	67.7	-157.8	-4.2	111.1	I157 E158 H164 S165 Y305	I157-R161 VanDerWaalsContact O-CB 3.26Å; I157-R161 WeakPolarHBondContact O-CB 3.23Å; I157-R161 PolarHBondContact O-N 3.04Å; E158-R161 PolarHBondContact O-N 3.36Å; R161-H164 PolarHBondContact O-N 3.34Å; R161-S165 WeakPolarHBondContact O-CB 3.3Å; R161-S165 PolarHBondContact O-N 2.74Å; R161-S165 PolarHBondContact O-OG 3.36Å; R161-Y305 HydrophobicContact CB-CD1 3.65Å; R161-Y305 HydrophobicContact CB-CD2 4.08Å; R161-Y305 HydrophobicContact CB-CE1 4.13Å; R161-Y305 HydrophobicContact CB-CG 3.64Å; R161-Y305 HydrophobicContact CG-CD1 4.2Å; R161-Y305 HydrophobicContact CG-CD2 3.68Å; R161-Y305 HydrophobicContact CG-CE2 4.24Å; R161-Y305 HydrophobicContact CG-CG 3.67Å
162	D	95.2	Very high	97	Very high	32 Å²	32	11.9 Å²	11.9	17%	0.171	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-43.3	-176.7	-71.8	0.6	0	0	0	110.7	F83 S105 E158 A159 I160 H164 S165 A166	F83-D162 HydrophobicContact CD2-CB 4.21Å; F83-D162 HydrophobicContact CE2-CB 3.61Å; S105-D162 VanDerWaalsContact CB-OD2 3.32Å; S105-D162 WeakPolarHBondContact CB-OD2 3.4Å; S105-D162 WeakPolarHBondContact OG-CB 3.49Å; S105-D162 PolarHBondContact OG-OD2 3.32Å; E158-D162 WeakPolarHBondContact O-CB 3.45Å; E158-D162 PolarHBondContact O-N 3.26Å; A159-D162 PolarHBondContact O-N 3.07Å; I160-D162 VanDerWaalsContact C-N 3.3Å; I160-D162 PolarHBondContact O-N 3.27Å; D162-H164 PolarHBondContact O-N 3.18Å; D162-S165 PolarHBondContact O-N 2.77Å; D162-A166 PolarHBondContact O-N 3.38Å
163	L	96.2	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.5	-44.7	174	-179.2	68.1	0	0	0	111.8	V79 F83 A159 I160 S165 A166 Y168 H170 L193 F196	V79-L163 HydrophobicContact CG1-CD1 3.66Å; F83-L163 HydrophobicContact CB-CD1 4.08Å; F83-L163 HydrophobicContact CD1-CD1 4.23Å; F83-L163 HydrophobicContact CD2-CB 4.05Å; F83-L163 HydrophobicContact CD2-CD1 4.31Å; F83-L163 HydrophobicContact CE2-CB 4.03Å; F83-L163 HydrophobicContact CG-CB 4.49Å; F83-L163 HydrophobicContact CG-CD1 3.96Å; F83-L163 HydrophobicContact CZ-CB 4.44Å; A159-L163 PolarHBondContact O-N 2.89Å; I160-L163 PolarHBondContact O-N 3.17Å; L163-S165 VanDerWaalsContact C-N 3.25Å; L163-S165 PolarHBondContact O-N 2.84Å; L163-A166 CarbonylContact O-C 3.5Å; L163-A166 WeakPolarHBondContact O-CA 3.41Å; L163-A166 WeakPolarHBondContact O-CB 3.44Å; L163-A166 PolarHBondContact O-N 3.3Å; L163-Y168 CarbonylContact C-O 3.11Å; L163-Y168 PolarHBondContact O-N 2.83Å; L163-H170 HydrophobicContact CD2-CB 3.63Å; L163-L193 HydrophobicContact CD2-CD2 3.9Å; L163-F196 HydrophobicContact CD1-CD1 4.19Å; L163-F196 HydrophobicContact CD1-CE1 4.07Å; L163-F196 HydrophobicContact CD2-CD1 4.42Å; L163-F196 HydrophobicContact CD2-CE1 4.31Å
164	H	95.9	Very high	96.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-32.2	176.2	-69.7	-176.4	0	0	0	111.8	I160 R161 D162 A166 N167 Y168 Y202 R237 D240 Y305	I160-H164 WeakPolarHBondContact CG2-CE1 3.27Å; I160-H164 WeakPolarHBondContact CG2-NE2 3.39Å; I160-H164 WeakPolarHBondContact O-CB 3.25Å; I160-H164 PolarHBondContact O-CD2 3.47Å; I160-H164 PolarHBondContact O-N 2.94Å; R161-H164 PolarHBondContact O-N 3.34Å; D162-H164 PolarHBondContact O-N 3.18Å; H164-A166 VanDerWaalsContact C-N 3.27Å; H164-N167 PolarHBondContact O-N 3.45Å; H164-N167 VanDerWaalsContact O-N 3.1Å; H164-Y168 VanDerWaalsContact CA-O 3.31Å; H164-Y168 WeakPolarHBondContact CA-O 3.41Å; H164-Y168 PolarHBondContact CD2-O 3.28Å; H164-Y168 PolarHBondContact N-O 2.85Å; H164-Y202 HydrophobicContact CB-CE1 4.39Å; H164-Y202 WeakPolarHBondContact O-CE1 3.47Å; H164-Y202 PolarHBondContact O-OH 3.03Å; H164-R237 HydrophobicContact CB-CG 4.43Å; H164-R237 PolarHBondContact CE1-O 2.87Å; H164-D240 IonicContact CE1-OD2 2.57Å; H164-D240 IonicContact NE2-OD2 2.67Å; H164-D240 PolarHBondContact NE2-OD2 2.76Å; H164-Y305 AromaticContact ND1-CE1 3.89Å; H164-Y305 AromaticContact ND1-CZ 3.66Å; H164-Y305 PolarHBondContact ND1-OH 2.74Å
165	S	93.2	Very high	96.8	Very high	42 Å²	42	13.1 Å²	13.1	29%	0.294	7%	0.066	S	C	.	.	H	α-helix	trans	-73	-22.1	174.6	-56.6	0	0	0	0	112.4	R95 R161 D162 L163 N167	R95-S165 PolarHBondContact NH1-OG 2.75Å; R161-S165 WeakPolarHBondContact O-CB 3.3Å; R161-S165 PolarHBondContact O-N 2.74Å; R161-S165 PolarHBondContact O-OG 3.36Å; D162-S165 PolarHBondContact O-N 2.77Å; L163-S165 VanDerWaalsContact C-N 3.25Å; L163-S165 PolarHBondContact O-N 2.84Å; S165-N167 PolarHBondContact O-N 2.98Å
166	A	92.5	Very high	96.6	Very high	17 Å²	17	14.5 Å²	14.5	14%	0.14	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	11.4	166.9	0	0	0	0	0	113.6	K82 D162 L163 H164 Y168	K82-A166 HydrophobicContact CB-CB 4.24Å; D162-A166 PolarHBondContact O-N 3.38Å; L163-A166 CarbonylContact O-C 3.5Å; L163-A166 WeakPolarHBondContact O-CA 3.41Å; L163-A166 WeakPolarHBondContact O-CB 3.44Å; L163-A166 PolarHBondContact O-N 3.3Å; H164-A166 VanDerWaalsContact C-N 3.27Å; A166-Y168 WeakPolarHBondContact O-CD2 3.26Å; A166-Y168 WeakPolarHBondContact O-CE2 3.46Å; A166-Y168 PolarHBondContact O-N 3.42Å
167	N	94.1	Very high	96.5	Very high	6 Å²	6	14.8 Å²	14.8	3%	0.032	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	12.3	179.9	-57.4	-27.1	0	0	0	116.3	M90 H164 S165 C201 Y202 I203	M90-N167 HydrophobicContact CE-CB 4.37Å; H164-N167 PolarHBondContact O-N 3.45Å; H164-N167 VanDerWaalsContact O-N 3.1Å; S165-N167 PolarHBondContact O-N 2.98Å; N167-C201 CarbonylContact O-C 3.47Å; N167-C201 VanDerWaalsContact O-CA 3.25Å; N167-C201 WeakPolarHBondContact O-CA 3.3Å; N167-Y202 WeakPolarHBondContact O-CD1 3.41Å; N167-Y202 WeakPolarHBondContact O-CE1 3.44Å; N167-Y202 PolarHBondContact O-N 3.01Å; N167-I203 HydrophobicContact CB-CB 4.04Å; N167-I203 HydrophobicContact CB-CG1 3.81Å
168	Y	96.6	Very high	96.4	Very high	6 Å²	6	14.8 Å²	14.8	2%	0.024	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.4	177.6	-68.9	-96.4	0	0	0	112.3	L75 E78 V79 K82 L163 H164 A166 A199 K200 C201	L75-Y168 HydrophobicContact CD1-CE1 4.36Å; E78-Y168 VanDerWaalsContact CD-OH 3.3Å; E78-Y168 PolarHBondContact OE1-OH 3.32Å; V79-Y168 HydrophobicContact CG1-CG 4.3Å; V79-Y168 HydrophobicContact CG2-CD1 3.5Å; V79-Y168 VanDerWaalsContact CG2-CD1 3.5Å; V79-Y168 HydrophobicContact CG2-CD2 4.31Å; V79-Y168 HydrophobicContact CG2-CE1 3.52Å; V79-Y168 HydrophobicContact CG2-CE2 4.38Å; V79-Y168 HydrophobicContact CG2-CG 3.93Å; K82-Y168 HydrophobicContact CB-CE2 4.47Å; K82-Y168 HydrophobicContact CD-CE2 3.55Å; K82-Y168 PolarHBondContact NZ-OH 3.3Å; L163-Y168 CarbonylContact C-O 3.11Å; L163-Y168 PolarHBondContact O-N 2.83Å; H164-Y168 VanDerWaalsContact CA-O 3.31Å; H164-Y168 WeakPolarHBondContact CA-O 3.41Å; H164-Y168 PolarHBondContact CD2-O 3.28Å; H164-Y168 PolarHBondContact N-O 2.85Å; A166-Y168 WeakPolarHBondContact O-CD2 3.26Å; A166-Y168 WeakPolarHBondContact O-CE2 3.46Å; A166-Y168 PolarHBondContact O-N 3.42Å; Y168-A199 HydrophobicContact CD1-CB 4.36Å; Y168-K200 CarbonylContact C-O 3.42Å; Y168-K200 VanDerWaalsContact CA-O 3.29Å; Y168-K200 WeakPolarHBondContact CA-O 3.31Å; Y168-C201 HydrophobicContact CD1-CB 4.14Å; Y168-C201 VanDerWaalsContact CD1-N 3.27Å; Y168-C201 HydrophobicContact CE1-CB 3.73Å
169	I	97.4	Very high	96.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.9	157.6	55.3	172.2	0	0	0	109.1	R171 A199 K200 Y202 Q235 R237 D240	I169-R171 HydrophobicContact CB-CG 4.41Å; I169-R171 HydrophobicContact CD1-CG 3.64Å; I169-R171 HydrophobicContact CG1-CG 3.8Å; I169-A199 CarbonylContact O-C 3.47Å; I169-A199 WeakPolarHBondContact O-CA 3.07Å; I169-A199 WeakPolarHBondContact O-CB 3.46Å; I169-K200 HydrophobicContact CG1-CB 4.12Å; I169-K200 WeakPolarHBondContact CG1-O 3.47Å; I169-K200 PolarHBondContact N-O 3.5Å; I169-K200 PolarHBondContact O-N 2.88Å; I169-Y202 HydrophobicContact CG2-CD1 3.85Å; I169-Y202 HydrophobicContact CG2-CG 4.25Å; I169-Q235 HydrophobicContact CD1-CB 4.18Å; I169-Q235 WeakPolarHBondContact CD1-O 3.18Å; I169-R237 HydrophobicContact CG2-CB 4.48Å; I169-R237 HydrophobicContact CG2-CG 3.88Å; I169-D240 WeakPolarHBondContact CA-OD2 3.46Å; I169-D240 WeakPolarHBondContact CB-OD2 3.32Å
170	H	98.1	Very high	96.1	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.081	C	C	.	.			trans	-79.1	-46	-177.1	-170.6	-87.8	0	0	0	112.6	L163 D172 I173 I194 D195 F196 L198 D240	L163-H170 HydrophobicContact CD2-CB 3.63Å; H170-D172 VanDerWaalsContact CE1-C 3.49Å; H170-D172 PolarHBondContact CE1-O 3.38Å; H170-D172 VanDerWaalsContact CE1-O 3.32Å; H170-D172 PolarHBondContact ND1-N 3.38Å; H170-D172 VanDerWaalsContact ND1-N 3.14Å; H170-D172 PolarHBondContact ND1-O 3.5Å; H170-D172 PolarHBondContact O-N 3.06Å; H170-D172 VanDerWaalsContact O-N 3.15Å; H170-I173 HydrophobicContact CB-CD1 3.7Å; H170-I173 HydrophobicContact CB-CG1 4.06Å; H170-I173 PolarHBondContact ND1-N 3.1Å; H170-I194 PolarHBondContact NE2-O 2.98Å; H170-D195 PolarHBondContact CE1-O 3.48Å; H170-D195 PolarHBondContact NE2-O 3.39Å; H170-F196 AromaticContact CD2-CD1 3.84Å; H170-L198 CarbonylContact O-C 3.53Å; H170-D240 PolarHBondContact N-OD2 3.03Å
171	R	97.7	Very high	95.6	Very high	25 Å²	25	15.3 Å²	15.3	9%	0.094	8%	0.081	C	C	.	.	S	Bend	trans	66.1	-1.6	-179	-54.3	-169.2	-61.9	179	-6.6	117.3	I169 L198 A199 R219 G220 Q235 D240	I169-R171 HydrophobicContact CB-CG 4.41Å; I169-R171 HydrophobicContact CD1-CG 3.64Å; I169-R171 HydrophobicContact CG1-CG 3.8Å; R171-L198 PolarHBondContact NE-O 2.56Å; R171-L198 PolarHBondContact NH2-O 3.44Å; R171-A199 PolarHBondContact NH2-O 2.9Å; R171-R219 VanDerWaalsContact NH2-NH1 3.16Å; R171-G220 WeakPolarHBondContact O-CA 3.3Å; R171-Q235 HydrophobicContact CG-CB 4.29Å; R171-D240 WeakPolarHBondContact CA-OD1 3.29Å; R171-D240 PolarHBondContact N-OD1 2.72Å
172	D	97.5	Very high	95	Very high	12 Å²	12	17.7 Å²	17.7	6%	0.064	9%	0.091	C	C	.	.			trans	-138.1	43	175	-160.5	26.9	0	0	0	113.9	H170 K174 N177 L198 G220 T221	H170-D172 VanDerWaalsContact CE1-C 3.49Å; H170-D172 PolarHBondContact CE1-O 3.38Å; H170-D172 VanDerWaalsContact CE1-O 3.32Å; H170-D172 PolarHBondContact ND1-N 3.38Å; H170-D172 VanDerWaalsContact ND1-N 3.14Å; H170-D172 PolarHBondContact ND1-O 3.5Å; H170-D172 PolarHBondContact O-N 3.06Å; H170-D172 VanDerWaalsContact O-N 3.15Å; D172-K174 PolarHBondContact O-N 3.12Å; D172-K174 IonicContact OD1-NZ 3.55Å; D172-K174 WeakPolarHBondContact OD2-CE 3.44Å; D172-K174 IonicContact OD2-NZ 3Å; D172-K174 PolarHBondContact OD2-NZ 2.63Å; D172-N177 PolarHBondContact O-ND2 3.15Å; D172-L198 HydrophobicContact CB-CB 4.41Å; D172-L198 HydrophobicContact CB-CD1 3.84Å; D172-G220 WeakPolarHBondContact OD1-CA 3.48Å; D172-T221 WeakPolarHBondContact OD1-CB 3.33Å; D172-T221 PolarHBondContact OD1-N 2.85Å; D172-T221 PolarHBondContact OD1-OG1 3.47Å
173	I	98.7	Very high	94.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.109	C	C	.	.			trans	-63.6	119	177.2	-64.1	-63.5	0	0	0	110	I160 H170 F178 L193 Y224 D240 L244 V247	I160-I173 HydrophobicContact CD1-CD1 3.93Å; I160-I173 HydrophobicContact CD1-CG1 4.21Å; I160-I173 HydrophobicContact CD1-CG2 4.42Å; I160-I173 HydrophobicContact CG1-CD1 3.93Å; H170-I173 HydrophobicContact CB-CD1 3.7Å; H170-I173 HydrophobicContact CB-CG1 4.06Å; H170-I173 PolarHBondContact ND1-N 3.1Å; I173-F178 HydrophobicContact CD1-CZ 4.27Å; I173-F178 HydrophobicContact CG2-CE2 3.89Å; I173-F178 HydrophobicContact CG2-CZ 4.31Å; I173-L193 HydrophobicContact CD1-CD1 3.86Å; I173-L193 HydrophobicContact CD1-CD2 4.27Å; I173-Y224 WeakPolarHBondContact O-CB 3.01Å; I173-D240 HydrophobicContact CG1-CB 3.88Å; I173-L244 HydrophobicContact CG2-CB 4.21Å; I173-V247 HydrophobicContact CG2-CG2 4.4Å
174	K	97.5	Very high	93.4	Very high	32 Å²	32	22 Å²	22	14%	0.139	13%	0.132	C	C	.	.			trans	-159.2	159.5	-179.5	63.2	-164.1	-176.5	-164.1	0	112	D172 S176 N177 T221 Y224	D172-K174 PolarHBondContact O-N 3.12Å; D172-K174 IonicContact OD1-NZ 3.55Å; D172-K174 WeakPolarHBondContact OD2-CE 3.44Å; D172-K174 IonicContact OD2-NZ 3Å; D172-K174 PolarHBondContact OD2-NZ 2.63Å; K174-S176 WeakPolarHBondContact CE-OG 3.5Å; K174-S176 WeakPolarHBondContact CG-OG 3.34Å; K174-S176 PolarHBondContact O-N 2.78Å; K174-N177 VanDerWaalsContact CE-CG 3.48Å; K174-N177 WeakPolarHBondContact CE-OD1 3.39Å; K174-N177 HydrophobicContact CG-CB 4.04Å; K174-N177 PolarHBondContact O-N 2.99Å; K174-T221 HydrophobicContact CD-CG2 4.37Å; K174-T221 WeakPolarHBondContact CD-OG1 3.48Å; K174-T221 PolarHBondContact NZ-OG1 3.1Å; K174-T221 VanDerWaalsContact NZ-OG1 3.15Å; K174-Y224 HydrophobicContact CB-CD2 3.38Å; K174-Y224 HydrophobicContact CB-CE2 3.44Å; K174-Y224 VanDerWaalsContact CB-CE2 3.44Å; K174-Y224 HydrophobicContact CB-CG 4.16Å
175	T	95.3	Very high	92.6	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.7	179.3	51.1	0	0	0	0	114.6	L132 S133 Y224 V247 M251	L132-T175 WeakPolarHBondContact CB-O 3.47Å; L132-T175 PolarHBondContact N-O 3.34Å; S133-T175 WeakPolarHBondContact CB-OG1 3.47Å; S133-T175 PolarHBondContact N-O 3.26Å; S133-T175 PolarHBondContact OG-OG1 2.73Å; T175-Y224 PolarHBondContact OG1-OH 3.06Å; T175-Y224 VanDerWaalsContact OG1-OH 3.1Å; T175-V247 HydrophobicContact CG2-CG1 3.87Å; T175-V247 HydrophobicContact CG2-CG2 4.41Å; T175-M251 HydrophobicContact CG2-CG 4.47Å
176	S	94.4	Very high	91.9	Very high	40 Å²	40	30.1 Å²	30.1	28%	0.28	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.1	178	62	0	0	0	0	114.2	N131 K174	N131-S176 WeakPolarHBondContact CB-O 3.22Å; K174-S176 WeakPolarHBondContact CE-OG 3.5Å; K174-S176 WeakPolarHBondContact CG-OG 3.34Å; K174-S176 PolarHBondContact O-N 2.78Å
177	N	96.7	Very high	91.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	18%	0.179	C	C	.	.	S	Bend	trans	-98.4	4.6	-178.5	-69	21.8	0	0	0	112.3	D172 K174 I194 D195	D172-N177 PolarHBondContact O-ND2 3.15Å; K174-N177 VanDerWaalsContact CE-CG 3.48Å; K174-N177 WeakPolarHBondContact CE-OD1 3.39Å; K174-N177 HydrophobicContact CG-CB 4.04Å; K174-N177 PolarHBondContact O-N 2.99Å; N177-I194 HydrophobicContact CB-CG1 4.29Å; N177-I194 WeakPolarHBondContact O-CG1 3.46Å; N177-I194 PolarHBondContact O-N 2.94Å; N177-D195 WeakPolarHBondContact ND2-CB 3.31Å; N177-D195 PolarHBondContact ND2-OD2 3.46Å; N177-D195 VanDerWaalsContact ND2-OD2 3.14Å
178	F	97.8	Very high	91.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.6	164.4	-72.5	-67.9	0	0	0	109.4	N131 L132 C156 A159 I160 I173 V191 Y192 L193 L244	N131-F178 CarbonylContact C-O 3.6Å; N131-F178 WeakPolarHBondContact CA-O 3.31Å; N131-F178 WeakPolarHBondContact CB-O 3.18Å; L132-F178 HydrophobicContact CB-CB 4.47Å; L132-F178 HydrophobicContact CD1-CB 3.49Å; L132-F178 VanDerWaalsContact CD1-CB 3.49Å; L132-F178 HydrophobicContact CD1-CD2 4.43Å; L132-F178 HydrophobicContact CD1-CG 4.17Å; L132-F178 HydrophobicContact CG-CB 3.75Å; L132-F178 PolarHBondContact N-O 3.08Å; C156-F178 HydrophobicContact CB-CE1 3.97Å; C156-F178 HydrophobicContact CB-CE2 4.36Å; C156-F178 HydrophobicContact CB-CZ 3.8Å; C156-F178 VanDerWaalsContact SG-CE1 3.57Å; A159-F178 HydrophobicContact CB-CE1 4.47Å; I160-F178 HydrophobicContact CD1-CZ 4.49Å; I173-F178 HydrophobicContact CD1-CZ 4.27Å; I173-F178 HydrophobicContact CG2-CE2 3.89Å; I173-F178 HydrophobicContact CG2-CZ 4.31Å; F178-V191 HydrophobicContact CB-CG1 3.86Å; F178-V191 HydrophobicContact CD1-CG1 3.83Å; F178-V191 HydrophobicContact CG-CG1 4.19Å; F178-Y192 CarbonylContact C-O 3.56Å; F178-Y192 VanDerWaalsContact CA-O 3.31Å; F178-Y192 WeakPolarHBondContact CA-O 3.44Å; F178-L193 HydrophobicContact CD1-CB 4.36Å; F178-L193 HydrophobicContact CD1-CD1 4.13Å; F178-L193 HydrophobicContact CE1-CB 4.09Å; F178-L193 HydrophobicContact CE1-CD1 3.71Å; F178-L193 HydrophobicContact CE1-CG 4.4Å; F178-L193 HydrophobicContact CZ-CD1 4.02Å; F178-L244 HydrophobicContact CE2-CD1 4.28Å; F178-L244 HydrophobicContact CZ-CD1 4.49Å
179	M	94.6	Very high	91	Very high	35 Å²	35	33.8 Å²	33.8	17%	0.172	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.3	-179.4	-60.4	-166.5	80.7	0	0	111.3	L128 G129 N131 V191 Y192 I194	L128-M179 HydrophobicContact CB-CB 4.07Å; L128-M179 HydrophobicContact CB-CE 4.36Å; L128-M179 HydrophobicContact CB-SD 4.12Å; L128-M179 HydrophobicContact CD1-CB 3.96Å; L128-M179 HydrophobicContact CD1-SD 4.18Å; G129-M179 WeakPolarHBondContact O-CE 3.17Å; N131-M179 HydrophobicContact CB-CG 4.02Å; M179-V191 CarbonylContact O-C 3.52Å; M179-V191 WeakPolarHBondContact O-CA 3.39Å; M179-Y192 PolarHBondContact N-O 3.37Å; M179-Y192 PolarHBondContact O-N 2.82Å; M179-I194 HydrophobicContact CG-CD1 3.77Å; M179-I194 HydrophobicContact CG-CG1 4.08Å; M179-I194 HydrophobicContact CG-CG2 4.44Å; M179-I194 HydrophobicContact SD-CD1 3.46Å; M179-I194 WeakPolarHBondContact SD-CD1 3.37Å; M179-I194 HydrophobicContact SD-CG1 4.29Å; M179-I194 HydrophobicContact SD-CG2 4.43Å
180	I	92.8	Very high	90.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	160.6	169.3	66.7	173.4	0	0	0	110.5	L9 G129 V130 L132 L135 I188 C190 W329	L9-I180 HydrophobicContact CD1-CD1 4.32Å; L9-I180 HydrophobicContact CD2-CD1 3.88Å; G129-I180 WeakPolarHBondContact CA-O 3.41Å; G129-I180 PolarHBondContact N-O 2.76Å; V130-I180 WeakPolarHBondContact O-CG1 3.42Å; V130-I180 PolarHBondContact O-N 2.94Å; L132-I180 HydrophobicContact CD2-CG2 4.36Å; L135-I180 HydrophobicContact CD1-CD1 3.95Å; L135-I180 HydrophobicContact CD1-CG1 4.21Å; L135-I180 HydrophobicContact CD1-CG2 3.7Å; I180-I188 HydrophobicContact CD1-CB 4.07Å; I180-C190 CarbonylContact C-O 3.46Å; I180-C190 VanDerWaalsContact CA-O 3.25Å; I180-C190 WeakPolarHBondContact CA-O 3.27Å; I180-W329 HydrophobicContact CG2-CH2 4.29Å; I180-W329 HydrophobicContact CG2-CZ2 3.8Å
181	G	88.6	Confident	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	164.1	170.3	0	0	0	0	0	113.1	V187 I188 C190	G181-V187 WeakPolarHBondContact CA-O 3.48Å; G181-V187 PolarHBondContact N-O 3.29Å; G181-I188 WeakPolarHBondContact O-CG2 3.43Å; G181-C190 PolarHBondContact N-O 3.31Å
182	Y	83.5	Confident	90.8	Very high	114 Å²	114	34.5 Å²	34.5	45%	0.447	19%	0.192	S	C	.	.	S	Bend	trans	-107.2	131.8	178.8	-179	-96.8	0	0	0	111.6	K49 L127 V187	K49-Y182 PolarHBondContact NZ-OH 3.17Å; L127-Y182 HydrophobicContact CD2-CD1 3.82Å; L127-Y182 HydrophobicContact CD2-CD2 4.42Å; L127-Y182 HydrophobicContact CD2-CE1 3.83Å; L127-Y182 HydrophobicContact CD2-CE2 4.42Å; L127-Y182 HydrophobicContact CD2-CG 4.13Å; L127-Y182 HydrophobicContact CG-CD1 4.31Å; L127-Y182 HydrophobicContact CG-CG 4.24Å; L127-Y182 WeakPolarHBondContact O-CB 3.1Å; Y182-V187 WeakPolarHBondContact O-CG1 3.32Å
183	G	78.4	Confident	90.8	Very high	53 Å²	53	33.9 Å²	33.9	55%	0.546	19%	0.189	S	C	.	.	S	Bend	trans	114.4	-114.7	169.7	0	0	0	0	0	114.2
184	S	79.6	Confident	90.6	Very high	68 Å²	68	35.3 Å²	35.3	48%	0.476	20%	0.196	S	C	.	.	S	Bend	trans	-66.1	159.4	-170.7	75.5	0	0	0	0	112.8	T186 V187 I188	S184-T186 PolarHBondContact O-N 3.42Å; S184-V187 PolarHBondContact O-N 3.35Å; S184-V187 WeakPolarHBondContact OG-CG2 3.09Å; S184-V187 PolarHBondContact OG-N 3.08Å; S184-I188 PolarHBondContact O-N 3.35Å; S184-I188 VanDerWaalsContact O-N 3.08Å
185	K	78.8	Confident	90.4	Very high	97 Å²	97	36.2 Å²	36.2	42%	0.422	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.3	178.8	-167.5	178.5	-178.4	-176.8	0	112.2	I188 R189 D326 E330	K185-I188 WeakPolarHBondContact O-CG1 3.4Å; K185-R189 WeakPolarHBondContact O-CG 3.11Å; K185-D326 WeakPolarHBondContact CE-OD1 2.98Å; K185-D326 IonicContact NZ-OD1 3.18Å; K185-D326 PolarHBondContact NZ-OD1 2.96Å; K185-E330 WeakPolarHBondContact CE-OE1 3.19Å; K185-E330 WeakPolarHBondContact CG-OE1 3.13Å
186	T	80.4	Confident	90.4	Very high	117 Å²	117	36.2 Å²	36.2	72%	0.718	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-37	179.2	-45.8	0	0	0	0	112.3	S184	S184-T186 PolarHBondContact O-N 3.42Å
187	V	82.9	Confident	90.3	Very high	48 Å²	48	34.6 Å²	34.6	29%	0.291	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-76.2	-38.1	-175.8	175.1	0	0	0	0	111.7	G181 Y182 S184 R189 C190	G181-V187 WeakPolarHBondContact CA-O 3.48Å; G181-V187 PolarHBondContact N-O 3.29Å; Y182-V187 WeakPolarHBondContact O-CG1 3.32Å; S184-V187 PolarHBondContact O-N 3.35Å; S184-V187 WeakPolarHBondContact OG-CG2 3.09Å; S184-V187 PolarHBondContact OG-N 3.08Å; V187-R189 PolarHBondContact O-N 3.04Å; V187-R189 VanDerWaalsContact O-N 3.09Å; V187-C190 PolarHBondContact O-N 2.9Å; V187-C190 VanDerWaalsContact O-N 3.15Å
188	I	87.5	Confident	90.2	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-68.8	-4.7	177.5	65.5	165.3	0	0	0	113.9	F6 L9 I180 G181 S184 K185 W329 E330	F6-I188 HydrophobicContact CD1-CD1 4.2Å; F6-I188 HydrophobicContact CE1-CD1 3.41Å; F6-I188 VanDerWaalsContact CE1-CD1 3.41Å; F6-I188 HydrophobicContact CZ-CD1 4.18Å; L9-I188 HydrophobicContact CD1-CD1 3.91Å; L9-I188 HydrophobicContact CD1-CG2 4.45Å; I180-I188 HydrophobicContact CD1-CB 4.07Å; G181-I188 WeakPolarHBondContact O-CG2 3.43Å; S184-I188 PolarHBondContact O-N 3.35Å; S184-I188 VanDerWaalsContact O-N 3.08Å; K185-I188 WeakPolarHBondContact O-CG1 3.4Å; I188-W329 PolarHBondContact O-NE1 2.57Å; I188-W329 VanDerWaalsContact O-NE1 3.08Å; I188-E330 HydrophobicContact CD1-CG 3.98Å
189	R	93.5	Very high	90.2	Very high	52 Å²	52	36.7 Å²	36.7	20%	0.196	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-90.9	-14.4	175.6	-70.4	178.8	171.3	-144.5	-12.6	112.8	Q155 K185 V187 Q324 D326 Y327 E330	Q155-R189 PolarHBondContact NE2-O 2.84Å; Q155-R189 PolarHBondContact OE1-O 3.1Å; K185-R189 WeakPolarHBondContact O-CG 3.11Å; V187-R189 PolarHBondContact O-N 3.04Å; V187-R189 VanDerWaalsContact O-N 3.09Å; R189-Q324 PolarHBondContact NH1-O 2.85Å; R189-Q324 VanDerWaalsContact NH1-O 3.16Å; R189-Q324 PolarHBondContact NH2-O 3.17Å; R189-D326 IonicContact NH2-OD1 3.18Å; R189-D326 PolarHBondContact NH2-OD1 3.41Å; R189-Y327 HydrophobicContact CB-CD2 4.28Å; R189-Y327 HydrophobicContact CB-CE2 3.83Å; R189-Y327 HydrophobicContact CG-CD2 3.8Å; R189-Y327 HydrophobicContact CG-CE2 3.79Å; R189-E330 IonicContact CZ-OE1 3.44Å; R189-E330 IonicContact CZ-OE2 3.64Å; R189-E330 IonicContact NE-OE1 3.17Å; R189-E330 PolarHBondContact NE-OE1 3.12Å; R189-E330 IonicContact NE-OE2 2.86Å; R189-E330 PolarHBondContact NE-OE2 3.08Å; R189-E330 IonicContact NH2-OE1 3.01Å; R189-E330 PolarHBondContact NH2-OE1 2.84Å; R189-E330 IonicContact NH2-OE2 3.48Å; R189-E330 PolarHBondContact NH2-OE2 3.24Å
190	C	95.3	Very high	90.2	Very high	16 Å²	16	37 Å²	37	11%	0.108	20%	0.204	C	C	.	.			trans	-87	131.2	175	-164.7	0	0	0	0	110.1	R106 I180 G181 V187 Y192	R106-C190 PolarHBondContact O-SG 3Å; R106-C190 VanDerWaalsContact O-SG 3.35Å; I180-C190 CarbonylContact C-O 3.46Å; I180-C190 VanDerWaalsContact CA-O 3.25Å; I180-C190 WeakPolarHBondContact CA-O 3.27Å; G181-C190 PolarHBondContact N-O 3.31Å; V187-C190 PolarHBondContact O-N 2.9Å; V187-C190 VanDerWaalsContact O-N 3.15Å; C190-Y192 HydrophobicContact CB-CE2 3.73Å
191	V	96.5	Very high	90.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.5	173.5	-179.3	0	0	0	0	109.1	H107 L132 V152 Q155 F178 M179	H107-V191 PolarHBondContact ND1-O 3.11Å; L132-V191 HydrophobicContact CD1-CG1 4.38Å; V152-V191 HydrophobicContact CG2-CG2 4.4Å; Q155-V191 HydrophobicContact CB-CB 4.18Å; Q155-V191 HydrophobicContact CB-CG2 4.5Å; F178-V191 HydrophobicContact CB-CG1 3.86Å; F178-V191 HydrophobicContact CD1-CG1 3.83Å; F178-V191 HydrophobicContact CG-CG1 4.19Å; M179-V191 CarbonylContact O-C 3.52Å; M179-V191 WeakPolarHBondContact O-CA 3.39Å
192	Y	96	Very high	90.6	Very high	23 Å²	23	38.8 Å²	38.8	9%	0.09	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.5	-178.1	-65.6	-93.3	0	0	0	109.9	R106 H107 P109 Q126 L128 F178 M179 C190	R106-Y192 WeakPolarHBondContact O-CE1 3.49Å; H107-Y192 VanDerWaalsContact O-CA 3.28Å; H107-Y192 WeakPolarHBondContact O-CA 3.38Å; P109-Y192 HydrophobicContact CG-CD1 4.44Å; Q126-Y192 PolarHBondContact NE2-OH 3.24Å; L128-Y192 HydrophobicContact CD1-CG 4.29Å; L128-Y192 HydrophobicContact CD2-CD1 4.19Å; L128-Y192 HydrophobicContact CD2-CD2 3.65Å; L128-Y192 HydrophobicContact CD2-CE1 4.47Å; L128-Y192 HydrophobicContact CD2-CE2 3.96Å; L128-Y192 HydrophobicContact CD2-CG 3.77Å; F178-Y192 CarbonylContact C-O 3.56Å; F178-Y192 VanDerWaalsContact CA-O 3.31Å; F178-Y192 WeakPolarHBondContact CA-O 3.44Å; M179-Y192 PolarHBondContact N-O 3.37Å; M179-Y192 PolarHBondContact O-N 2.82Å; C190-Y192 HydrophobicContact CB-CE2 3.73Å
193	L	97.9	Very high	91	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.2	169.7	-178.9	60.4	0	0	0	109.2	F83 H107 P109 A159 L163 I173 F178 F196	F83-L193 HydrophobicContact CE1-CB 4.27Å; F83-L193 HydrophobicContact CZ-CB 4.44Å; H107-L193 PolarHBondContact O-N 3.11Å; P109-L193 VanDerWaalsContact CD-O 3.27Å; P109-L193 WeakPolarHBondContact CD-O 3.28Å; A159-L193 HydrophobicContact CB-CB 4.08Å; L163-L193 HydrophobicContact CD2-CD2 3.9Å; I173-L193 HydrophobicContact CD1-CD1 3.86Å; I173-L193 HydrophobicContact CD1-CD2 4.27Å; F178-L193 HydrophobicContact CD1-CB 4.36Å; F178-L193 HydrophobicContact CD1-CD1 4.13Å; F178-L193 HydrophobicContact CE1-CB 4.09Å; F178-L193 HydrophobicContact CE1-CD1 3.71Å; F178-L193 HydrophobicContact CE1-CG 4.4Å; F178-L193 HydrophobicContact CZ-CD1 4.02Å; L193-F196 HydrophobicContact CD2-CE1 4.3Å; L193-F196 HydrophobicContact CG-CE1 4.1Å; L193-F196 HydrophobicContact CG-CZ 4.46Å; L193-F196 WeakPolarHBondContact O-CZ 3.34Å
194	I	94.9	Very high	91.5	Very high	30 Å²	30	34.2 Å²	34.2	15%	0.154	19%	0.186	C	C	.	.			trans	-134.2	173.5	-177.7	61.9	149.5	0	0	0	111.4	P109 L128 H170 N177 M179	P109-I194 HydrophobicContact CG-CG2 3.75Å; L128-I194 HydrophobicContact CD1-CG2 3.51Å; H170-I194 PolarHBondContact NE2-O 2.98Å; N177-I194 HydrophobicContact CB-CG1 4.29Å; N177-I194 WeakPolarHBondContact O-CG1 3.46Å; N177-I194 PolarHBondContact O-N 2.94Å; M179-I194 HydrophobicContact CG-CD1 3.77Å; M179-I194 HydrophobicContact CG-CG1 4.08Å; M179-I194 HydrophobicContact CG-CG2 4.44Å; M179-I194 HydrophobicContact SD-CD1 3.46Å; M179-I194 WeakPolarHBondContact SD-CD1 3.37Å; M179-I194 HydrophobicContact SD-CG1 4.29Å; M179-I194 HydrophobicContact SD-CG2 4.43Å
195	D	92.7	Very high	91.7	Very high	52 Å²	52	39.4 Å²	39.4	28%	0.278	20%	0.203	S	C	.	.			trans	66.1	74.3	169.8	-173.9	28.3	0	0	0	113.6	K62 H170 N177 G197	K62-D195 IonicContact NZ-OD1 2.74Å; H170-D195 PolarHBondContact CE1-O 3.48Å; H170-D195 PolarHBondContact NE2-O 3.39Å; N177-D195 WeakPolarHBondContact ND2-CB 3.31Å; N177-D195 PolarHBondContact ND2-OD2 3.46Å; N177-D195 VanDerWaalsContact ND2-OD2 3.14Å; D195-G197 VanDerWaalsContact C-N 3.3Å; D195-G197 PolarHBondContact O-N 2.76Å
196	F	95.4	Very high	92	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	21%	0.212	C	C	.	.			trans	-90.2	14.8	-177.1	-50.2	-77.5	0	0	0	113.2	E76 V79 L80 F83 L163 H170 L193 L198 A199	E76-F196 HydrophobicContact CG-CB 4.19Å; V79-F196 HydrophobicContact CB-CB 3.98Å; V79-F196 HydrophobicContact CB-CG 4.26Å; V79-F196 HydrophobicContact CG1-CB 3.77Å; V79-F196 HydrophobicContact CG1-CD1 3.65Å; V79-F196 HydrophobicContact CG1-CD2 4.43Å; V79-F196 HydrophobicContact CG1-CE1 4.38Å; V79-F196 HydrophobicContact CG1-CG 3.67Å; L80-F196 HydrophobicContact CD2-CD2 3.99Å; L80-F196 HydrophobicContact CD2-CE2 3.41Å; L80-F196 VanDerWaalsContact CD2-CE2 3.41Å; L80-F196 HydrophobicContact CD2-CZ 4.32Å; L80-F196 HydrophobicContact CG-CD2 3.81Å; L80-F196 HydrophobicContact CG-CE2 3.78Å; F83-F196 AromaticContact CD1-CE1 3.81Å; F83-F196 HydrophobicContact CD1-CE1 3.81Å; F83-F196 HydrophobicContact CD1-CE2 4.43Å; F83-F196 AromaticContact CD1-CZ 3.53Å; F83-F196 HydrophobicContact CD1-CZ 3.53Å; F83-F196 AromaticContact CE1-CE1 4Å; F83-F196 HydrophobicContact CE1-CE1 4Å; F83-F196 AromaticContact CE1-CZ 3.69Å; F83-F196 HydrophobicContact CE1-CZ 3.69Å; L163-F196 HydrophobicContact CD1-CD1 4.19Å; L163-F196 HydrophobicContact CD1-CE1 4.07Å; L163-F196 HydrophobicContact CD2-CD1 4.42Å; L163-F196 HydrophobicContact CD2-CE1 4.31Å; H170-F196 AromaticContact CD2-CD1 3.84Å; L193-F196 HydrophobicContact CD2-CE1 4.3Å; L193-F196 HydrophobicContact CG-CE1 4.1Å; L193-F196 HydrophobicContact CG-CZ 4.46Å; L193-F196 WeakPolarHBondContact O-CZ 3.34Å; F196-L198 PolarHBondContact O-N 3.07Å; F196-L198 VanDerWaalsContact O-N 3.08Å; F196-A199 HydrophobicContact CB-CB 4.02Å; F196-A199 VanDerWaalsContact O-CB 3.23Å; F196-A199 WeakPolarHBondContact O-CB 3.35Å; F196-A199 PolarHBondContact O-N 3.22Å
197	G	93	Very high	92.2	Very high	6 Å²	6	35.7 Å²	35.7	6%	0.062	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.8	-174.8	0	0	0	0	0	113.8	R72 E76 D195	R72-G197 WeakPolarHBondContact CD-O 3.2Å; R72-G197 WeakPolarHBondContact CG-O 3.43Å; E76-G197 VanDerWaalsContact OE1-CA 3.26Å; E76-G197 WeakPolarHBondContact OE1-CA 3.3Å; E76-G197 PolarHBondContact OE1-N 3.03Å; D195-G197 VanDerWaalsContact C-N 3.3Å; D195-G197 PolarHBondContact O-N 2.76Å
198	L	95	Very high	92.3	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.246	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2.3	173	-66	-180	0	0	0	113.5	H170 R171 D172 F196	H170-L198 CarbonylContact O-C 3.53Å; R171-L198 PolarHBondContact NE-O 2.56Å; R171-L198 PolarHBondContact NH2-O 3.44Å; D172-L198 HydrophobicContact CB-CB 4.41Å; D172-L198 HydrophobicContact CB-CD1 3.84Å; F196-L198 PolarHBondContact O-N 3.07Å; F196-L198 VanDerWaalsContact O-N 3.08Å
199	A	96.7	Very high	92.3	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	21%	0.208	C	C	.	.			trans	-60.9	160.8	-179.3	0	0	0	0	0	112.2	V79 Y168 I169 R171 F196	V79-A199 HydrophobicContact CG1-CB 4.3Å; V79-A199 HydrophobicContact CG2-CB 3.99Å; Y168-A199 HydrophobicContact CD1-CB 4.36Å; I169-A199 CarbonylContact O-C 3.47Å; I169-A199 WeakPolarHBondContact O-CA 3.07Å; I169-A199 WeakPolarHBondContact O-CB 3.46Å; R171-A199 PolarHBondContact NH2-O 2.9Å; F196-A199 HydrophobicContact CB-CB 4.02Å; F196-A199 VanDerWaalsContact O-CB 3.23Å; F196-A199 WeakPolarHBondContact O-CB 3.35Å; F196-A199 PolarHBondContact O-N 3.22Å
200	K	95.1	Very high	91.9	Very high	42 Å²	42	39.6 Å²	39.6	18%	0.183	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	134.1	177.4	-178.3	177.7	176.6	-172.1	0	110.9	Y168 I169 Y202 Y210 E212	Y168-K200 CarbonylContact C-O 3.42Å; Y168-K200 VanDerWaalsContact CA-O 3.29Å; Y168-K200 WeakPolarHBondContact CA-O 3.31Å; I169-K200 HydrophobicContact CG1-CB 4.12Å; I169-K200 WeakPolarHBondContact CG1-O 3.47Å; I169-K200 PolarHBondContact N-O 3.5Å; I169-K200 PolarHBondContact O-N 2.88Å; K200-Y202 PolarHBondContact O-N 2.77Å; K200-Y210 HydrophobicContact CD-CE1 4.31Å; K200-Y210 PolarHBondContact NZ-OH 3.44Å; K200-E212 IonicContact NZ-OE1 2.66Å; K200-E212 PolarHBondContact NZ-OE1 2.83Å; K200-E212 IonicContact NZ-OE2 3.55Å; K200-E212 PolarHBondContact NZ-OE2 3.11Å
201	C	94.7	Very high	91	Very high	36 Å²	36	47.2 Å²	47.2	24%	0.243	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.2	170.9	-169	0	0	0	0	108.5	N167 Y168 I203	N167-C201 CarbonylContact O-C 3.47Å; N167-C201 VanDerWaalsContact O-CA 3.25Å; N167-C201 WeakPolarHBondContact O-CA 3.3Å; Y168-C201 HydrophobicContact CD1-CB 4.14Å; Y168-C201 VanDerWaalsContact CD1-N 3.27Å; Y168-C201 HydrophobicContact CE1-CB 3.73Å; C201-I203 PolarHBondContact SG-O 2.76Å
202	Y	93.9	Very high	89.8	Confident	1 Å²	1	51 Å²	51	0%	0.004	25%	0.254	C	S	.	.			trans	-93.8	-2.5	179.6	75.1	-88.7	0	0	0	114.1	R95 H164 N167 I169 K200 H209 Y210 R237	R95-Y202 PolarHBondContact NH2-OH 3.11Å; H164-Y202 HydrophobicContact CB-CE1 4.39Å; H164-Y202 WeakPolarHBondContact O-CE1 3.47Å; H164-Y202 PolarHBondContact O-OH 3.03Å; N167-Y202 WeakPolarHBondContact O-CD1 3.41Å; N167-Y202 WeakPolarHBondContact O-CE1 3.44Å; N167-Y202 PolarHBondContact O-N 3.01Å; I169-Y202 HydrophobicContact CG2-CD1 3.85Å; I169-Y202 HydrophobicContact CG2-CG 4.25Å; K200-Y202 PolarHBondContact O-N 2.77Å; Y202-H209 AromaticContact CD2-CD2 3.55Å; Y202-H209 AromaticContact CD2-NE2 3.71Å; Y202-H209 WeakPolarHBondContact O-CA 3.32Å; Y202-Y210 VanDerWaalsContact CA-CE1 3.46Å; Y202-Y210 VanDerWaalsContact O-CD1 3.25Å; Y202-Y210 WeakPolarHBondContact O-CD1 3.27Å; Y202-Y210 PolarHBondContact O-N 3.34Å; Y202-R237 HydrophobicContact CD1-CG 4.37Å; Y202-R237 HydrophobicContact CD2-CG 4.42Å; Y202-R237 HydrophobicContact CE1-CG 4.16Å; Y202-R237 HydrophobicContact CE2-CG 4.2Å; Y202-R237 PolarHBondContact OH-NH1 3.09Å
203	I	92.9	Very high	88.8	Confident	17 Å²	17	59 Å²	59	9%	0.087	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-106.7	132.6	176.5	-59.5	-58.8	0	0	0	109	V93 N167 C201 G207 K208	V93-I203 HydrophobicContact CG2-CD1 4.39Å; N167-I203 HydrophobicContact CB-CB 4.04Å; N167-I203 HydrophobicContact CB-CG1 3.81Å; C201-I203 PolarHBondContact SG-O 2.76Å; I203-G207 VanDerWaalsContact CG2-CA 3.48Å; I203-K208 CarbonylContact C-O 3.36Å; I203-K208 WeakPolarHBondContact CA-O 3.47Å
204	D	88.4	Confident	88.1	Confident	54 Å²	54	62 Å²	62	29%	0.289	32%	0.323	S	S	.	.			trans	-80.5	178.6	174.7	72.8	9.5	0	0	0	112.2	N206 G207 K208	D204-N206 PolarHBondContact O-N 3.26Å; D204-N206 VanDerWaalsContact O-N 3.16Å; D204-N206 VanDerWaalsContact OD1-CA 3.3Å; D204-N206 WeakPolarHBondContact OD1-CA 3.46Å; D204-N206 WeakPolarHBondContact OD1-CB 3.27Å; D204-N206 PolarHBondContact OD1-N 3.09Å; D204-G207 PolarHBondContact O-N 3.46Å; D204-G207 VanDerWaalsContact O-N 3.07Å; D204-G207 PolarHBondContact OD1-N 2.77Å; D204-G207 VanDerWaalsContact OD1-N 3.08Å; D204-K208 PolarHBondContact N-O 3.28Å; D204-K208 PolarHBondContact OD1-N 3Å
205	E	83.9	Confident	87.7	Confident	178 Å²	178	68.1 Å²	68.1	83%	0.832	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.3	177.6	62.1	-173.5	-178.8	0	0	114.1
206	N	85.3	Confident	87.5	Confident	114 Å²	114	66.4 Å²	66.4	61%	0.61	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	4.1	178.8	-59.6	-62.4	0	0	0	112.7	D204 K208	D204-N206 PolarHBondContact O-N 3.26Å; D204-N206 VanDerWaalsContact O-N 3.16Å; D204-N206 VanDerWaalsContact OD1-CA 3.3Å; D204-N206 WeakPolarHBondContact OD1-CA 3.46Å; D204-N206 WeakPolarHBondContact OD1-CB 3.27Å; D204-N206 PolarHBondContact OD1-N 3.09Å; N206-K208 VanDerWaalsContact C-N 3.26Å; N206-K208 HydrophobicContact CB-CG 4.47Å; N206-K208 PolarHBondContact O-N 3.18Å
207	G	83.9	Confident	87.3	Confident	21 Å²	21	73.2 Å²	73.2	22%	0.216	38%	0.381	C	S	.	.	S	Bend	trans	75	14.6	-177.3	0	0	0	0	0	113.7	I203 D204	I203-G207 VanDerWaalsContact CG2-CA 3.48Å; D204-G207 PolarHBondContact O-N 3.46Å; D204-G207 VanDerWaalsContact O-N 3.07Å; D204-G207 PolarHBondContact OD1-N 2.77Å; D204-G207 VanDerWaalsContact OD1-N 3.08Å
208	K	86.2	Confident	87.4	Confident	142 Å²	142	76.7 Å²	76.7	62%	0.617	40%	0.395	S	S	*	.	S	Bend	trans	-98.4	152.7	179.2	-64.7	-175.9	178.4	-179.3	0	110.8	I203 D204 N206 Y210	I203-K208 CarbonylContact C-O 3.36Å; I203-K208 WeakPolarHBondContact CA-O 3.47Å; D204-K208 PolarHBondContact N-O 3.28Å; D204-K208 PolarHBondContact OD1-N 3Å; N206-K208 VanDerWaalsContact C-N 3.26Å; N206-K208 HydrophobicContact CB-CG 4.47Å; N206-K208 PolarHBondContact O-N 3.18Å; K208-Y210 PolarHBondContact O-N 2.91Å
209	H	88	Confident	87.2	Confident	26 Å²	26	78.7 Å²	78.7	12%	0.12	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-59.7	128.1	168.2	-164.6	-67.2	0	0	0	108.3	Y202 H211 F299	Y202-H209 AromaticContact CD2-CD2 3.55Å; Y202-H209 AromaticContact CD2-NE2 3.71Å; Y202-H209 WeakPolarHBondContact O-CA 3.32Å; H209-H211 PolarHBondContact O-N 3.02Å; H209-F299 AromaticContact CE1-CE1 3.49Å; H209-F299 VanDerWaalsContact CE1-CE1 3.49Å; H209-F299 WeakPolarHBondContact CE1-CE1 3.39Å; H209-F299 AromaticContact CE1-CZ 3.56Å; H209-F299 AromaticContact ND1-CE1 3.7Å
210	Y	84.3	Confident	87.1	Confident	21 Å²	21	79.7 Å²	79.7	8%	0.082	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-60.6	143.2	-179.1	70.4	-104.5	0	0	0	110.2	K200 Y202 K208 E212 Q235 F299	K200-Y210 HydrophobicContact CD-CE1 4.31Å; K200-Y210 PolarHBondContact NZ-OH 3.44Å; Y202-Y210 VanDerWaalsContact CA-CE1 3.46Å; Y202-Y210 VanDerWaalsContact O-CD1 3.25Å; Y202-Y210 WeakPolarHBondContact O-CD1 3.27Å; Y202-Y210 PolarHBondContact O-N 3.34Å; K208-Y210 PolarHBondContact O-N 2.91Å; Y210-E212 HydrophobicContact CD2-CB 3.94Å; Y210-E212 HydrophobicContact CD2-CG 3.48Å; Y210-E212 VanDerWaalsContact CD2-CG 3.48Å; Y210-E212 HydrophobicContact CE2-CB 3.83Å; Y210-E212 VanDerWaalsContact CE2-CD 3.41Å; Y210-E212 HydrophobicContact CE2-CG 3.54Å; Y210-E212 WeakPolarHBondContact CE2-OE2 3.33Å; Y210-Q235 PolarHBondContact OH-O 2.97Å; Y210-F299 HydrophobicContact CD2-CZ 4.13Å; Y210-F299 HydrophobicContact CE2-CE1 4.38Å; Y210-F299 HydrophobicContact CE2-CE2 4.37Å; Y210-F299 AromaticContact CE2-CZ 3.51Å; Y210-F299 HydrophobicContact CE2-CZ 3.51Å; Y210-F299 AromaticContact CZ-CZ 3.91Å; Y210-F299 WeakPolarHBondContact O-CE1 3.32Å
211	H	77	Confident	87.1	Confident	175 Å²	175	79.6 Å²	79.6	81%	0.81	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-92.3	128.9	163	-75.4	-85.8	0	0	0	107.7	H209	H209-H211 PolarHBondContact O-N 3.02Å
212	E	71.6	Confident	87.2	Confident	80 Å²	80	79.3 Å²	79.3	37%	0.374	41%	0.408	S	S	.	.			trans	-123.7	124.6	166.8	-86.8	-178.2	156.2	0	0	109.3	K200 Y210 H234	K200-E212 IonicContact NZ-OE1 2.66Å; K200-E212 PolarHBondContact NZ-OE1 2.83Å; K200-E212 IonicContact NZ-OE2 3.55Å; K200-E212 PolarHBondContact NZ-OE2 3.11Å; Y210-E212 HydrophobicContact CD2-CB 3.94Å; Y210-E212 HydrophobicContact CD2-CG 3.48Å; Y210-E212 VanDerWaalsContact CD2-CG 3.48Å; Y210-E212 HydrophobicContact CE2-CB 3.83Å; Y210-E212 VanDerWaalsContact CE2-CD 3.41Å; Y210-E212 HydrophobicContact CE2-CG 3.54Å; Y210-E212 WeakPolarHBondContact CE2-OE2 3.33Å; E212-H234 HydrophobicContact CB-CB 4.14Å; E212-H234 VanDerWaalsContact CB-CE1 3.44Å; E212-H234 WeakPolarHBondContact CB-CE1 3.4Å; E212-H234 WeakPolarHBondContact CB-ND1 3.2Å; E212-H234 VanDerWaalsContact CD-ND1 3.26Å; E212-H234 IonicContact OE2-CE1 3.43Å; E212-H234 PolarHBondContact OE2-CE1 3.25Å; E212-H234 IonicContact OE2-CG 3.63Å; E212-H234 IonicContact OE2-ND1 3.36Å; E212-H234 PolarHBondContact OE2-ND1 3.49Å
213	E	73.4	Confident	87.3	Confident	191 Å²	191	82.9 Å²	82.9	89%	0.893	42%	0.421	S	S	*	.			trans	-97.4	148.1	176.2	-64.2	-177.3	170.3	0	0	110
214	G	83.5	Confident	87.6	Confident	64 Å²	64	82.5 Å²	82.5	66%	0.66	42%	0.419	S	S	*	.	S	Bend	trans	90	-164.1	176.4	0	0	0	0	0	114.4	H234	G214-H234 PolarHBondContact O-NE2 3.06Å
215	Q	87.1	Confident	88	Confident	159 Å²	159	80.1 Å²	80.1	74%	0.743	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-91.7	132.1	-178.1	-72.5	179.9	-27.9	0	0	111	Q232	Q215-Q232 HydrophobicContact CB-CB 4.31Å; Q215-Q232 VanDerWaalsContact CD-OE1 3.26Å; Q215-Q232 HydrophobicContact CG-CB 4.46Å
216	A	89	Confident	88.7	Confident	16 Å²	16	71.7 Å²	71.7	13%	0.132	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-89.5	141.6	173.6	0	0	0	0	0	111.3	Q232	A216-Q232 PolarHBondContact N-O 3.38Å; A216-Q232 WeakPolarHBondContact O-CB 3.02Å
217	N	91.2	Very high	89.2	Confident	145 Å²	145	68.1 Å²	68.1	78%	0.775	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-69.4	136.5	167.3	-73.5	-48.3	0	0	0	110.6	R219	N217-R219 PolarHBondContact O-N 3.23Å
218	F	93.7	Very high	89.7	Confident	79 Å²	79	68.4 Å²	68.4	35%	0.346	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-56.2	128.3	175.9	-174	-83	0	0	0	111.3	G220 L222 A225 T229	F218-G220 WeakPolarHBondContact CE1-O 3.39Å; F218-L222 HydrophobicContact CE1-CD1 4.27Å; F218-L222 HydrophobicContact CE2-CD1 4.04Å; F218-L222 HydrophobicContact CZ-CB 4.46Å; F218-L222 HydrophobicContact CZ-CD1 3.77Å; F218-A225 HydrophobicContact CE2-CB 3.74Å; F218-A225 HydrophobicContact CZ-CB 3.56Å; F218-T229 HydrophobicContact CD2-CG2 3.91Å; F218-T229 HydrophobicContact CE2-CG2 3.8Å; F218-T229 HydrophobicContact CZ-CG2 4.44Å
219	R	92	Very high	90.2	Very high	89 Å²	89	61.8 Å²	61.8	34%	0.336	32%	0.317	S	S	.	.			trans	-135.3	148.5	173.6	-68.6	-172.6	-179.9	-155.1	3.1	110.7	R171 N217	R171-R219 VanDerWaalsContact NH2-NH1 3.16Å; N217-R219 PolarHBondContact O-N 3.23Å
220	G	93.7	Very high	90.6	Very high	23 Å²	23	61.7 Å²	61.7	24%	0.237	32%	0.317	C	S	.	.	S	Bend	trans	97.8	-168	-179.5	0	0	0	0	0	113.3	R171 D172 F218	R171-G220 WeakPolarHBondContact O-CA 3.3Å; D172-G220 WeakPolarHBondContact OD1-CA 3.48Å; F218-G220 WeakPolarHBondContact CE1-O 3.39Å
221	T	95.7	Very high	91.1	Very high	41 Å²	41	64.8 Å²	64.8	25%	0.252	33%	0.332	S	S	.	.			trans	-91.9	119.5	-175.5	-62	0	0	0	0	111.3	D172 K174 R223 Y224 A225	D172-T221 WeakPolarHBondContact OD1-CB 3.33Å; D172-T221 PolarHBondContact OD1-N 2.85Å; D172-T221 PolarHBondContact OD1-OG1 3.47Å; K174-T221 HydrophobicContact CD-CG2 4.37Å; K174-T221 WeakPolarHBondContact CD-OG1 3.48Å; K174-T221 PolarHBondContact NZ-OG1 3.1Å; K174-T221 VanDerWaalsContact NZ-OG1 3.15Å; T221-R223 HydrophobicContact CG2-CB 4.26Å; T221-R223 PolarHBondContact O-N 3.04Å; T221-Y224 HydrophobicContact CG2-CD2 3.74Å; T221-Y224 HydrophobicContact CG2-CE2 4.16Å; T221-Y224 PolarHBondContact O-N 2.7Å; T221-A225 PolarHBondContact O-N 3.22Å
222	L	96.4	Very high	91.9	Very high	29 Å²	29	60.6 Å²	60.6	15%	0.152	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-43.6	-176.6	-164.7	69.7	0	0	0	114.7	F218 Y224 H230 P264 V267 K271	F218-L222 HydrophobicContact CE1-CD1 4.27Å; F218-L222 HydrophobicContact CE2-CD1 4.04Å; F218-L222 HydrophobicContact CZ-CB 4.46Å; F218-L222 HydrophobicContact CZ-CD1 3.77Å; L222-Y224 VanDerWaalsContact C-N 3.32Å; L222-Y224 PolarHBondContact O-N 3.34Å; L222-H230 WeakPolarHBondContact CD1-CE1 3.44Å; L222-H230 PolarHBondContact O-NE2 2.62Å; L222-P264 HydrophobicContact CD1-CB 3.79Å; L222-P264 HydrophobicContact CD1-CG 4.02Å; L222-P264 HydrophobicContact CD2-CG 4.33Å; L222-V267 HydrophobicContact CD2-CB 4.08Å; L222-V267 HydrophobicContact CD2-CG2 3.5Å; L222-V267 HydrophobicContact CG-CB 4.02Å; L222-V267 HydrophobicContact CG-CG1 4.13Å; L222-V267 HydrophobicContact CG-CG2 3.88Å; L222-K271 PolarHBondContact O-NZ 3.14Å
223	R	97.4	Very high	93	Very high	76 Å²	76	61.3 Å²	61.3	29%	0.287	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.5	179.6	-174.9	-175.9	-62	174	5	113.2	T221 E250 L256 W258 A259 K271	T221-R223 HydrophobicContact CG2-CB 4.26Å; T221-R223 PolarHBondContact O-N 3.04Å; R223-E250 IonicContact CZ-OE1 3.3Å; R223-E250 IonicContact NH1-OE1 3.39Å; R223-E250 PolarHBondContact NH1-OE1 2.98Å; R223-L256 HydrophobicContact CG-CD1 3.74Å; R223-W258 PolarHBondContact O-NE1 2.87Å; R223-A259 PolarHBondContact NE-O 3.01Å; R223-A259 PolarHBondContact NH2-O 2.87Å; R223-K271 PolarHBondContact O-NZ 3.45Å
224	Y	98.1	Very high	94	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.035	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-15	-172	-54.2	-75.7	0	0	0	113.5	I173 K174 T175 T221 L222 S226 S243 Y246 V247 E250 L256	I173-Y224 WeakPolarHBondContact O-CB 3.01Å; K174-Y224 HydrophobicContact CB-CD2 3.38Å; K174-Y224 HydrophobicContact CB-CE2 3.44Å; K174-Y224 VanDerWaalsContact CB-CE2 3.44Å; K174-Y224 HydrophobicContact CB-CG 4.16Å; T175-Y224 PolarHBondContact OG1-OH 3.06Å; T175-Y224 VanDerWaalsContact OG1-OH 3.1Å; T221-Y224 HydrophobicContact CG2-CD2 3.74Å; T221-Y224 HydrophobicContact CG2-CE2 4.16Å; T221-Y224 PolarHBondContact O-N 2.7Å; L222-Y224 VanDerWaalsContact C-N 3.32Å; L222-Y224 PolarHBondContact O-N 3.34Å; Y224-S226 PolarHBondContact O-N 3.11Å; Y224-S243 VanDerWaalsContact O-CA 3.23Å; Y224-S243 WeakPolarHBondContact O-CA 3.07Å; Y224-S243 WeakPolarHBondContact O-CB 3.38Å; Y224-S243 PolarHBondContact O-OG 2.94Å; Y224-Y246 VanDerWaalsContact O-CD2 3.27Å; Y224-Y246 WeakPolarHBondContact O-CD2 3.47Å; Y224-V247 HydrophobicContact CD1-CG2 3.61Å; Y224-V247 HydrophobicContact CE1-CG2 3.69Å; Y224-V247 HydrophobicContact CG-CG2 4.28Å; Y224-E250 VanDerWaalsContact OH-CD 3.26Å; Y224-E250 PolarHBondContact OH-OE1 3.17Å; Y224-E250 PolarHBondContact OH-OE2 3.33Å; Y224-L256 HydrophobicContact CD1-CD1 4.3Å; Y224-L256 HydrophobicContact CE1-CD1 4.14Å
225	A	97.5	Very high	94.6	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.041	25%	0.252	C	S	.	.	S	Bend	trans	-55.2	140.7	177.6	0	0	0	0	0	112.4	F218 T221 T229 K271	F218-A225 HydrophobicContact CE2-CB 3.74Å; F218-A225 HydrophobicContact CZ-CB 3.56Å; T221-A225 PolarHBondContact O-N 3.22Å; A225-T229 HydrophobicContact CB-CG2 3.94Å; A225-K271 PolarHBondContact O-NZ 2.87Å
226	S	97	Very high	95	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.216	C	C	.	.			trans	-63.3	160.7	176.4	62.3	0	0	0	0	112.1	Y224 T228 T229 H230 D239	Y224-S226 PolarHBondContact O-N 3.11Å; S226-T228 VanDerWaalsContact C-N 3.28Å; S226-T228 PolarHBondContact O-N 3.05Å; S226-T228 PolarHBondContact OG-OG1 3.21Å; S226-T228 VanDerWaalsContact OG-OG1 3.06Å; S226-T229 WeakPolarHBondContact O-CB 3.42Å; S226-T229 PolarHBondContact O-N 3.08Å; S226-T229 PolarHBondContact OG-N 3.14Å; S226-T229 PolarHBondContact OG-OG1 3.22Å; S226-H230 PolarHBondContact O-CD2 3.38Å; S226-H230 PolarHBondContact O-N 3.49Å; S226-D239 VanDerWaalsContact CB-OD1 3.25Å; S226-D239 WeakPolarHBondContact CB-OD1 3.3Å; S226-D239 PolarHBondContact OG-OD1 2.86Å
227	I	96.7	Very high	95.4	Very high	38 Å²	38	43.5 Å²	43.5	20%	0.195	21%	0.213	C	C	.	.	H	α-helix	trans	-55.4	-45.5	174.7	-71.2	167.9	0	0	0	110.6	T229 H230 E231 K271 M272	I227-T229 PolarHBondContact O-N 3.23Å; I227-H230 WeakPolarHBondContact O-CA 3.35Å; I227-H230 WeakPolarHBondContact O-CB 3.32Å; I227-H230 PolarHBondContact O-N 3.08Å; I227-E231 HydrophobicContact CG2-CG 4.32Å; I227-E231 WeakPolarHBondContact O-CG 3.16Å; I227-E231 PolarHBondContact O-N 3.2Å; I227-K271 HydrophobicContact CD1-CB 4.37Å; I227-K271 HydrophobicContact CG1-CB 4.06Å; I227-K271 HydrophobicContact CG1-CD 4.46Å; I227-M272 HydrophobicContact CD1-SD 3.85Å; I227-M272 HydrophobicContact CG1-SD 4.28Å; I227-M272 HydrophobicContact CG2-SD 3.68Å
228	T	94.9	Very high	95.7	Very high	27 Å²	27	37.5 Å²	37.5	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-31.2	177.1	50.8	0	0	0	0	113.1	S226 E231 Q232 Q233 K238 D239	S226-T228 VanDerWaalsContact C-N 3.28Å; S226-T228 PolarHBondContact O-N 3.05Å; S226-T228 PolarHBondContact OG-OG1 3.21Å; S226-T228 VanDerWaalsContact OG-OG1 3.06Å; T228-E231 CarbonylContact O-C 3.58Å; T228-E231 PolarHBondContact O-N 2.86Å; T228-Q232 PolarHBondContact O-N 3.45Å; T228-Q233 VanDerWaalsContact CG2-OE1 3.25Å; T228-Q233 VanDerWaalsContact O-CB 3.32Å; T228-Q233 WeakPolarHBondContact O-CB 3.25Å; T228-Q233 PolarHBondContact O-N 2.91Å; T228-K238 PolarHBondContact OG1-NZ 3.2Å; T228-D239 PolarHBondContact OG1-OD1 3.03Å
229	T	96	Very high	95.9	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-37	172.5	-52.3	0	0	0	0	111.9	F218 A225 S226 I227 E231 Q232 Q235	F218-T229 HydrophobicContact CD2-CG2 3.91Å; F218-T229 HydrophobicContact CE2-CG2 3.8Å; F218-T229 HydrophobicContact CZ-CG2 4.44Å; A225-T229 HydrophobicContact CB-CG2 3.94Å; S226-T229 WeakPolarHBondContact O-CB 3.42Å; S226-T229 PolarHBondContact O-N 3.08Å; S226-T229 PolarHBondContact OG-N 3.14Å; S226-T229 PolarHBondContact OG-OG1 3.22Å; I227-T229 PolarHBondContact O-N 3.23Å; T229-E231 VanDerWaalsContact C-N 3.28Å; T229-Q232 PolarHBondContact O-N 3.1Å; T229-Q235 HydrophobicContact CG2-CG 4.11Å; T229-Q235 WeakPolarHBondContact OG1-CG 3.42Å
230	H	96	Very high	96.2	Very high	24 Å²	24	29.6 Å²	29.6	11%	0.111	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-31.5	173.5	-78.1	-98.3	0	0	0	111.9	L222 S226 I227 Q232 H268 K271	L222-H230 WeakPolarHBondContact CD1-CE1 3.44Å; L222-H230 PolarHBondContact O-NE2 2.62Å; S226-H230 PolarHBondContact O-CD2 3.38Å; S226-H230 PolarHBondContact O-N 3.49Å; I227-H230 WeakPolarHBondContact O-CA 3.35Å; I227-H230 WeakPolarHBondContact O-CB 3.32Å; I227-H230 PolarHBondContact O-N 3.08Å; H230-Q232 PolarHBondContact O-N 3.37Å; H230-H268 HydrophobicContact CB-CB 3.97Å; H230-H268 VanDerWaalsContact CB-CD2 3.47Å; H230-H268 WeakPolarHBondContact CB-CD2 3.23Å; H230-K271 PolarHBondContact NE2-NZ 3.46Å; H230-K271 VanDerWaalsContact NE2-NZ 3.1Å
231	E	95.2	Very high	96.4	Very high	86 Å²	86	28.5 Å²	28.5	40%	0.402	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	12.3	175.4	-63.1	175.8	157.5	0	0	113.7	I227 T228 T229 Q233 H268	I227-E231 HydrophobicContact CG2-CG 4.32Å; I227-E231 WeakPolarHBondContact O-CG 3.16Å; I227-E231 PolarHBondContact O-N 3.2Å; T228-E231 CarbonylContact O-C 3.58Å; T228-E231 PolarHBondContact O-N 2.86Å; T229-E231 VanDerWaalsContact C-N 3.28Å; E231-Q233 HydrophobicContact CB-CG 4.38Å; E231-Q233 PolarHBondContact O-N 3.17Å; E231-H268 IonicContact OE1-NE2 2.69Å
232	Q	94.7	Very high	96.6	Very high	87 Å²	87	27.6 Å²	27.6	41%	0.407	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	27.6	178.5	-56.7	177.5	-5.8	0	0	113.6	Q215 A216 T228 T229 H230	Q215-Q232 HydrophobicContact CB-CB 4.31Å; Q215-Q232 VanDerWaalsContact CD-OE1 3.26Å; Q215-Q232 HydrophobicContact CG-CB 4.46Å; A216-Q232 PolarHBondContact N-O 3.38Å; A216-Q232 WeakPolarHBondContact O-CB 3.02Å; T228-Q232 PolarHBondContact O-N 3.45Å; T229-Q232 PolarHBondContact O-N 3.1Å; H230-Q232 PolarHBondContact O-N 3.37Å
233	Q	94.4	Very high	96.7	Very high	96 Å²	96	26.3 Å²	26.3	45%	0.449	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-82.7	157.8	169.2	-57.5	-173.5	-1.8	0	0	110.8	T228 E231	T228-Q233 VanDerWaalsContact CG2-OE1 3.25Å; T228-Q233 VanDerWaalsContact O-CB 3.32Å; T228-Q233 WeakPolarHBondContact O-CB 3.25Å; T228-Q233 PolarHBondContact O-N 2.91Å; E231-Q233 HydrophobicContact CB-CG 4.38Å; E231-Q233 PolarHBondContact O-N 3.17Å
234	H	93.9	Very high	96.7	Very high	30 Å²	30	22.7 Å²	22.7	14%	0.139	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-67.6	135.6	175	-67.8	-83.3	0	0	0	111	E212 G214 F299	E212-H234 HydrophobicContact CB-CB 4.14Å; E212-H234 VanDerWaalsContact CB-CE1 3.44Å; E212-H234 WeakPolarHBondContact CB-CE1 3.4Å; E212-H234 WeakPolarHBondContact CB-ND1 3.2Å; E212-H234 VanDerWaalsContact CD-ND1 3.26Å; E212-H234 IonicContact OE2-CE1 3.43Å; E212-H234 PolarHBondContact OE2-CE1 3.25Å; E212-H234 IonicContact OE2-CG 3.63Å; E212-H234 IonicContact OE2-ND1 3.36Å; E212-H234 PolarHBondContact OE2-ND1 3.49Å; G214-H234 PolarHBondContact O-NE2 3.06Å; H234-F299 HydrophobicContact CB-CE2 3.86Å; H234-F299 HydrophobicContact CB-CZ 4.1Å; H234-F299 WeakPolarHBondContact O-CD2 3.49Å; H234-F299 WeakPolarHBondContact O-CE2 3.34Å
235	Q	95.5	Very high	96.8	Very high	12 Å²	12	22.3 Å²	22.3	6%	0.056	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-79.6	129.6	179.7	-64.1	174.8	-81.2	0	0	109.8	I169 R171 Y210 T229 D239	I169-Q235 HydrophobicContact CD1-CB 4.18Å; I169-Q235 WeakPolarHBondContact CD1-O 3.18Å; R171-Q235 HydrophobicContact CG-CB 4.29Å; Y210-Q235 PolarHBondContact OH-O 2.97Å; T229-Q235 HydrophobicContact CG2-CG 4.11Å; T229-Q235 WeakPolarHBondContact OG1-CG 3.42Å; Q235-D239 WeakPolarHBondContact CA-OD2 3.25Å; Q235-D239 HydrophobicContact CB-CB 4.21Å; Q235-D239 HydrophobicContact CG-CB 4.42Å
236	G	95.3	Very high	96.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.			trans	-115.1	-169	170.6	0	0	0	0	0	111.4	K238 D239	G236-K238 PolarHBondContact O-N 3.04Å; G236-D239 PolarHBondContact N-OD2 3.33Å; G236-D239 PolarHBondContact O-N 2.89Å; G236-D239 VanDerWaalsContact O-N 3.09Å
237	R	97.3	Very high	96.9	Very high	14 Å²	14	22.3 Å²	22.3	5%	0.053	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-35.2	-179.9	-68.4	-179.1	-77.6	-168.8	-1.3	112.8	H164 I169 Y202 D239 D240 S300 D301 E302 P303	H164-R237 HydrophobicContact CB-CG 4.43Å; H164-R237 PolarHBondContact CE1-O 2.87Å; I169-R237 HydrophobicContact CG2-CB 4.48Å; I169-R237 HydrophobicContact CG2-CG 3.88Å; Y202-R237 HydrophobicContact CD1-CG 4.37Å; Y202-R237 HydrophobicContact CD2-CG 4.42Å; Y202-R237 HydrophobicContact CE1-CG 4.16Å; Y202-R237 HydrophobicContact CE2-CG 4.2Å; Y202-R237 PolarHBondContact OH-NH1 3.09Å; R237-D239 PolarHBondContact O-N 3.45Å; R237-D240 PolarHBondContact O-N 2.97Å; R237-S300 PolarHBondContact NH2-O 3.21Å; R237-D301 VanDerWaalsContact CZ-O 3.28Å; R237-D301 PolarHBondContact NE-O 2.79Å; R237-D301 VanDerWaalsContact NE-O 3.1Å; R237-D301 PolarHBondContact NH2-O 3.3Å; R237-E302 VanDerWaalsContact CZ-CA 3.45Å; R237-E302 IonicContact NH1-OE2 3.04Å; R237-E302 PolarHBondContact NH1-OE2 2.57Å; R237-E302 VanDerWaalsContact NH2-CA 3.26Å; R237-E302 VanDerWaalsContact NH2-N 3.19Å; R237-P303 HydrophobicContact CB-CG 4.02Å
238	K	97.4	Very high	97	Very high	18 Å²	18	20.5 Å²	20.5	8%	0.078	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-31.1	177.9	70.6	174.8	-179.1	63.2	0	112.8	T228 G236 L241 W242 L297	T228-K238 PolarHBondContact OG1-NZ 3.2Å; G236-K238 PolarHBondContact O-N 3.04Å; K238-L241 PolarHBondContact O-N 2.97Å; K238-W242 VanDerWaalsContact O-CD1 3.29Å; K238-W242 PolarHBondContact O-N 3.18Å; K238-L297 HydrophobicContact CB-CB 3.94Å; K238-L297 HydrophobicContact CB-CD1 4.02Å; K238-L297 HydrophobicContact CD-CB 4.29Å; K238-L297 VanDerWaalsContact CD-O 3.29Å; K238-L297 WeakPolarHBondContact CD-O 3.3Å
239	D	98.1	Very high	97.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-74.9	-30.4	-172.7	-62	-69	0	0	0	112.3	S226 T228 Q235 G236 R237 L241 S243	S226-D239 VanDerWaalsContact CB-OD1 3.25Å; S226-D239 WeakPolarHBondContact CB-OD1 3.3Å; S226-D239 PolarHBondContact OG-OD1 2.86Å; T228-D239 PolarHBondContact OG1-OD1 3.03Å; Q235-D239 WeakPolarHBondContact CA-OD2 3.25Å; Q235-D239 HydrophobicContact CB-CB 4.21Å; Q235-D239 HydrophobicContact CG-CB 4.42Å; G236-D239 PolarHBondContact N-OD2 3.33Å; G236-D239 PolarHBondContact O-N 2.89Å; G236-D239 VanDerWaalsContact O-N 3.09Å; R237-D239 PolarHBondContact O-N 3.45Å; D239-L241 VanDerWaalsContact C-N 3.32Å; D239-S243 WeakPolarHBondContact O-CB 3.37Å; D239-S243 PolarHBondContact O-N 3.47Å; D239-S243 PolarHBondContact O-OG 3.27Å
240	D	98.7	Very high	97.2	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.011	9%	0.088	C	C	.	.	H	α-helix	trans	-66.8	-35.4	169.6	-78.3	-25.2	0	0	0	111.5	I160 H164 I169 H170 R171 I173 R237 S243 L244	I160-D240 HydrophobicContact CG2-CB 4.28Å; H164-D240 IonicContact CE1-OD2 2.57Å; H164-D240 IonicContact NE2-OD2 2.67Å; H164-D240 PolarHBondContact NE2-OD2 2.76Å; I169-D240 WeakPolarHBondContact CA-OD2 3.46Å; I169-D240 WeakPolarHBondContact CB-OD2 3.32Å; H170-D240 PolarHBondContact N-OD2 3.03Å; R171-D240 WeakPolarHBondContact CA-OD1 3.29Å; R171-D240 PolarHBondContact N-OD1 2.72Å; I173-D240 HydrophobicContact CG1-CB 3.88Å; R237-D240 PolarHBondContact O-N 2.97Å; D240-S243 WeakPolarHBondContact O-CB 3.42Å; D240-S243 PolarHBondContact O-N 3.42Å; D240-L244 PolarHBondContact O-N 2.84Å
241	L	98.8	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-75.7	-36	176.9	-64.1	174.2	0	0	0	112.9	I160 K238 D239 S243 L244 L245 L294 P303 Y305 L308	I160-L241 HydrophobicContact CD1-CD2 4.38Å; I160-L241 HydrophobicContact CG2-CD2 4.05Å; K238-L241 PolarHBondContact O-N 2.97Å; D239-L241 VanDerWaalsContact C-N 3.32Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 3.26Å; L241-L244 CarbonylContact O-C 3.21Å; L241-L244 WeakPolarHBondContact O-CB 3.14Å; L241-L244 PolarHBondContact O-N 3.07Å; L241-L245 PolarHBondContact O-N 2.96Å; L241-L294 HydrophobicContact CB-CD1 4.26Å; L241-L294 HydrophobicContact CB-CD2 3.55Å; L241-L294 HydrophobicContact CD1-CD2 4.02Å; L241-L294 HydrophobicContact CG-CD2 4.44Å; L241-P303 HydrophobicContact CD1-CB 3.42Å; L241-P303 VanDerWaalsContact CD1-CB 3.42Å; L241-P303 HydrophobicContact CD1-CG 3.54Å; L241-Y305 HydrophobicContact CD1-CE1 4.23Å; L241-Y305 HydrophobicContact CD2-CE1 4.44Å; L241-L308 HydrophobicContact CD1-CD1 3.82Å; L241-L308 HydrophobicContact CD2-CD1 4.14Å
242	W	98.4	Very high	97.4	Very high	22 Å²	22	14 Å²	14	8%	0.083	6%	0.064	C	C	.	.	H	α-helix	trans	-59.3	-43.9	168	-87.1	110.4	0	0	0	111.4	K238 L244 L245 Y246 P276 L294	K238-W242 VanDerWaalsContact O-CD1 3.29Å; K238-W242 PolarHBondContact O-N 3.18Å; W242-L244 VanDerWaalsContact C-N 3.3Å; W242-L244 PolarHBondContact O-N 3.31Å; W242-L245 HydrophobicContact CE3-CD2 3.85Å; W242-L245 HydrophobicContact CZ3-CD2 3.55Å; W242-L245 WeakPolarHBondContact O-CB 2.94Å; W242-L245 PolarHBondContact O-N 3.3Å; W242-Y246 WeakPolarHBondContact O-CD2 3.38Å; W242-Y246 PolarHBondContact O-N 3.16Å; W242-P276 HydrophobicContact CH2-CB 4.02Å; W242-P276 HydrophobicContact CH2-CG 3.39Å; W242-P276 HydrophobicContact CZ3-CB 4.07Å; W242-P276 HydrophobicContact CZ3-CG 3.59Å; W242-L294 HydrophobicContact CD2-CB 4.2Å; W242-L294 HydrophobicContact CD2-CD1 4.09Å; W242-L294 HydrophobicContact CE3-CD1 4.26Å; W242-L294 HydrophobicContact CG-CD1 4.32Å; W242-L294 HydrophobicContact CH2-CB 4.13Å; W242-L294 HydrophobicContact CZ2-CB 3.64Å
243	S	98.7	Very high	97.5	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-61.4	-40.7	174.6	-57.5	0	0	0	0	111.5	Y224 D239 D240 L241 Y246 V247	Y224-S243 VanDerWaalsContact O-CA 3.23Å; Y224-S243 WeakPolarHBondContact O-CA 3.07Å; Y224-S243 WeakPolarHBondContact O-CB 3.38Å; Y224-S243 PolarHBondContact O-OG 2.94Å; D239-S243 WeakPolarHBondContact O-CB 3.37Å; D239-S243 PolarHBondContact O-N 3.47Å; D239-S243 PolarHBondContact O-OG 3.27Å; D240-S243 WeakPolarHBondContact O-CB 3.42Å; D240-S243 PolarHBondContact O-N 3.42Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 3.26Å; S243-Y246 PolarHBondContact O-N 3Å; S243-V247 WeakPolarHBondContact O-CG2 3.47Å; S243-V247 PolarHBondContact O-N 2.89Å
244	L	98.8	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64	-40.2	174.4	-179	61	0	0	0	112.5	C156 I157 I160 I173 F178 D240 L241 W242 Y246 V247 I248 M290	C156-L244 HydrophobicContact CB-CD1 3.59Å; C156-L244 HydrophobicContact CB-CD2 3.98Å; C156-L244 HydrophobicContact CB-CG 4.47Å; I157-L244 HydrophobicContact CG1-CD2 3.67Å; I160-L244 HydrophobicContact CD1-CB 4Å; I160-L244 HydrophobicContact CD1-CD2 3.84Å; I160-L244 HydrophobicContact CD1-CG 4.37Å; I173-L244 HydrophobicContact CG2-CB 4.21Å; F178-L244 HydrophobicContact CE2-CD1 4.28Å; F178-L244 HydrophobicContact CZ-CD1 4.49Å; D240-L244 PolarHBondContact O-N 2.84Å; L241-L244 CarbonylContact O-C 3.21Å; L241-L244 WeakPolarHBondContact O-CB 3.14Å; L241-L244 PolarHBondContact O-N 3.07Å; W242-L244 VanDerWaalsContact C-N 3.3Å; W242-L244 PolarHBondContact O-N 3.31Å; L244-Y246 VanDerWaalsContact C-N 3.31Å; L244-Y246 PolarHBondContact O-N 3.46Å; L244-V247 HydrophobicContact CD1-CB 4.36Å; L244-V247 HydrophobicContact CD1-CG1 4.3Å; L244-V247 CarbonylContact O-C 2.65Å; L244-V247 WeakPolarHBondContact O-CA 3.29Å; L244-V247 WeakPolarHBondContact O-CB 3.48Å; L244-V247 PolarHBondContact O-N 3.38Å; L244-V247 VanDerWaalsContact O-N 3.1Å; L244-I248 HydrophobicContact CD1-CD1 4.22Å; L244-I248 HydrophobicContact CD1-CG1 4.2Å; L244-I248 HydrophobicContact CD2-CD1 4.38Å; L244-I248 HydrophobicContact CG-CD1 3.86Å; L244-I248 HydrophobicContact CG-CG1 4.32Å; L244-I248 WeakPolarHBondContact O-CG1 3.27Å; L244-I248 PolarHBondContact O-N 2.91Å; L244-M290 HydrophobicContact CB-CE 4.4Å; L244-M290 HydrophobicContact CD2-CE 4.3Å; L244-M290 HydrophobicContact CG-CE 4.3Å
245	L	98.7	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.3	-48	175	178.4	67.4	0	0	0	110.5	L241 W242 V247 I248 V249 V280 V287 M290 A291 L294	L241-L245 PolarHBondContact O-N 2.96Å; W242-L245 HydrophobicContact CE3-CD2 3.85Å; W242-L245 HydrophobicContact CZ3-CD2 3.55Å; W242-L245 WeakPolarHBondContact O-CB 2.94Å; W242-L245 PolarHBondContact O-N 3.3Å; L245-V247 VanDerWaalsContact C-N 3.32Å; L245-V247 PolarHBondContact O-N 2.64Å; L245-I248 PolarHBondContact O-N 2.63Å; L245-V249 WeakPolarHBondContact O-CG2 3.31Å; L245-V249 PolarHBondContact O-N 3.04Å; L245-V280 HydrophobicContact CD1-CG1 4.45Å; L245-V287 HydrophobicContact CD1-CG1 3.8Å; L245-M290 HydrophobicContact CB-CE 4.18Å; L245-M290 HydrophobicContact CD1-CG 4.22Å; L245-M290 HydrophobicContact CD1-SD 4.15Å; L245-A291 HydrophobicContact CD1-CB 4.43Å; L245-A291 HydrophobicContact CD2-CB 3.88Å; L245-L294 HydrophobicContact CB-CD1 4.09Å; L245-L294 HydrophobicContact CD2-CD1 4.35Å
246	Y	98.5	Very high	97.7	Very high	6 Å²	6	10.7 Å²	10.7	2%	0.024	6%	0.056	C	C	.	.	H	α-helix	trans	-64.2	-35.7	176.7	-60	-39.4	0	0	0	112.7	Y224 W242 S243 L244 E250 W258 L279	Y224-Y246 VanDerWaalsContact O-CD2 3.27Å; Y224-Y246 WeakPolarHBondContact O-CD2 3.47Å; W242-Y246 WeakPolarHBondContact O-CD2 3.38Å; W242-Y246 PolarHBondContact O-N 3.16Å; S243-Y246 PolarHBondContact O-N 3Å; L244-Y246 VanDerWaalsContact C-N 3.31Å; L244-Y246 PolarHBondContact O-N 3.46Å; Y246-E250 WeakPolarHBondContact O-CB 3.38Å; Y246-E250 PolarHBondContact O-N 3.35Å; Y246-W258 HydrophobicContact CD1-CH2 4.2Å; Y246-W258 AromaticContact CD1-CZ2 3.81Å; Y246-W258 HydrophobicContact CD1-CZ2 3.81Å; Y246-W258 AromaticContact CE1-CH2 3.95Å; Y246-W258 HydrophobicContact CE1-CH2 3.95Å; Y246-W258 AromaticContact CE1-CZ2 3.84Å; Y246-W258 HydrophobicContact CE1-CZ2 3.84Å; Y246-W258 HydrophobicContact CG-CZ2 4.23Å; Y246-L279 HydrophobicContact CD1-CD2 3.8Å; Y246-L279 HydrophobicContact CE1-CD2 3.81Å
247	V	98.7	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-45.8	171.8	164.6	0	0	0	0	111	I173 T175 Y224 S243 L244 L245 E250 M251	I173-V247 HydrophobicContact CG2-CG2 4.4Å; T175-V247 HydrophobicContact CG2-CG1 3.87Å; T175-V247 HydrophobicContact CG2-CG2 4.41Å; Y224-V247 HydrophobicContact CD1-CG2 3.61Å; Y224-V247 HydrophobicContact CE1-CG2 3.69Å; Y224-V247 HydrophobicContact CG-CG2 4.28Å; S243-V247 WeakPolarHBondContact O-CG2 3.47Å; S243-V247 PolarHBondContact O-N 2.89Å; L244-V247 HydrophobicContact CD1-CB 4.36Å; L244-V247 HydrophobicContact CD1-CG1 4.3Å; L244-V247 CarbonylContact O-C 2.65Å; L244-V247 WeakPolarHBondContact O-CA 3.29Å; L244-V247 WeakPolarHBondContact O-CB 3.48Å; L244-V247 PolarHBondContact O-N 3.38Å; L244-V247 VanDerWaalsContact O-N 3.1Å; L245-V247 VanDerWaalsContact C-N 3.32Å; L245-V247 PolarHBondContact O-N 2.64Å; V247-E250 PolarHBondContact O-N 3.32Å; V247-M251 HydrophobicContact CG1-CE 4.06Å; V247-M251 HydrophobicContact CG1-SD 4.43Å; V247-M251 VanDerWaalsContact O-CG 3.32Å; V247-M251 WeakPolarHBondContact O-CG 3.49Å; V247-M251 PolarHBondContact O-N 3.13Å
248	I	98.7	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-46.8	178	-69.5	166.7	0	0	0	110.8	V149 A153 L244 L245 E250 M251 I252 V287 M290 F312	V149-I248 HydrophobicContact CG1-CG2 3.89Å; A153-I248 HydrophobicContact CB-CD1 3.74Å; A153-I248 HydrophobicContact CB-CG1 4.15Å; L244-I248 HydrophobicContact CD1-CD1 4.22Å; L244-I248 HydrophobicContact CD1-CG1 4.2Å; L244-I248 HydrophobicContact CD2-CD1 4.38Å; L244-I248 HydrophobicContact CG-CD1 3.86Å; L244-I248 HydrophobicContact CG-CG1 4.32Å; L244-I248 WeakPolarHBondContact O-CG1 3.27Å; L244-I248 PolarHBondContact O-N 2.91Å; L245-I248 PolarHBondContact O-N 2.63Å; I248-E250 VanDerWaalsContact C-N 3.33Å; I248-E250 PolarHBondContact O-N 2.94Å; I248-M251 HydrophobicContact CB-CE 4.47Å; I248-M251 HydrophobicContact CG1-CE 3.99Å; I248-M251 WeakPolarHBondContact O-CB 3.47Å; I248-M251 PolarHBondContact O-N 3.13Å; I248-M251 VanDerWaalsContact O-N 3.15Å; I248-I252 HydrophobicContact CG2-CD1 3.93Å; I248-I252 WeakPolarHBondContact O-CG1 3.45Å; I248-I252 PolarHBondContact O-N 2.76Å; I248-V287 HydrophobicContact CG2-CG1 4.3Å; I248-V287 HydrophobicContact CG2-CG2 3.99Å; I248-M290 HydrophobicContact CD1-CE 4.35Å; I248-M290 HydrophobicContact CD1-SD 3.92Å; I248-F312 HydrophobicContact CD1-CE1 4.34Å; I248-F312 HydrophobicContact CD1-CE2 4.44Å; I248-F312 HydrophobicContact CD1-CZ 3.76Å; I248-F312 HydrophobicContact CG2-CE1 4.47Å
249	V	98.2	Very high	97.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-59.4	-43.9	175.8	174.7	0	0	0	0	110.9	L245 M251 I252 K253 L256 L279 V280 L283 V287	L245-V249 WeakPolarHBondContact O-CG2 3.31Å; L245-V249 PolarHBondContact O-N 3.04Å; V249-M251 VanDerWaalsContact C-N 3.34Å; V249-M251 PolarHBondContact O-N 2.88Å; V249-I252 PolarHBondContact O-N 3.22Å; V249-K253 HydrophobicContact CG1-CD 3.99Å; V249-K253 HydrophobicContact CG1-CG 4.35Å; V249-K253 WeakPolarHBondContact O-CB 3.08Å; V249-K253 PolarHBondContact O-N 3.4Å; V249-L256 HydrophobicContact CB-CD2 4.06Å; V249-L256 HydrophobicContact CG1-CD2 3.77Å; V249-L279 HydrophobicContact CG1-CD1 4.18Å; V249-L279 HydrophobicContact CG1-CD2 4.48Å; V249-L279 HydrophobicContact CG1-CG 4.16Å; V249-L279 HydrophobicContact CG2-CD2 4.3Å; V249-L279 HydrophobicContact CG2-CG 4.42Å; V249-V280 HydrophobicContact CG2-CG1 3.94Å; V249-L283 HydrophobicContact CB-CD1 4.48Å; V249-L283 HydrophobicContact CG1-CD1 4.36Å; V249-L283 HydrophobicContact CG2-CD1 3.87Å; V249-V287 HydrophobicContact CG2-CG1 4.28Å
250	E	97.6	Very high	97.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-38.1	176.4	-159.1	-164.5	-124.5	0	0	111.6	R136 R223 Y224 Y246 V247 I248 I252 G254 L256	R136-E250 IonicContact CZ-OE2 2.75Å; R136-E250 VanDerWaalsContact CZ-OE2 3.31Å; R136-E250 IonicContact NE-OE2 3.34Å; R136-E250 PolarHBondContact NE-OE2 3.1Å; R136-E250 VanDerWaalsContact NE-OE2 3.11Å; R136-E250 IonicContact NH2-OE1 2.6Å; R136-E250 PolarHBondContact NH2-OE1 3.38Å; R136-E250 IonicContact NH2-OE2 2.7Å; R136-E250 PolarHBondContact NH2-OE2 3.19Å; R223-E250 IonicContact CZ-OE1 3.3Å; R223-E250 IonicContact NH1-OE1 3.39Å; R223-E250 PolarHBondContact NH1-OE1 2.98Å; Y224-E250 VanDerWaalsContact OH-CD 3.26Å; Y224-E250 PolarHBondContact OH-OE1 3.17Å; Y224-E250 PolarHBondContact OH-OE2 3.33Å; Y246-E250 WeakPolarHBondContact O-CB 3.38Å; Y246-E250 PolarHBondContact O-N 3.35Å; V247-E250 PolarHBondContact O-N 3.32Å; I248-E250 VanDerWaalsContact C-N 3.33Å; I248-E250 PolarHBondContact O-N 2.94Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 3.25Å; E250-G254 CarbonylContact O-C 2.85Å; E250-G254 WeakPolarHBondContact O-CA 3.44Å; E250-G254 PolarHBondContact O-N 3.05Å; E250-L256 HydrophobicContact CB-CD1 4.31Å; E250-L256 HydrophobicContact CB-CG 4.13Å; E250-L256 HydrophobicContact CG-CG 4.4Å
251	M	98.1	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-35.1	176.2	-74.5	-169.2	-59.5	0	0	112.5	L132 S143 F144 V149 V152 T175 V247 I248 V249	L132-M251 HydrophobicContact CD1-SD 4.04Å; S143-M251 WeakPolarHBondContact CA-O 3.34Å; S143-M251 WeakPolarHBondContact CB-O 3.31Å; F144-M251 HydrophobicContact CD2-CB 3.93Å; F144-M251 HydrophobicContact CD2-CG 3.86Å; F144-M251 HydrophobicContact CD2-SD 3.83Å; F144-M251 HydrophobicContact CE2-CG 4.04Å; F144-M251 HydrophobicContact CE2-SD 3.83Å; F144-M251 PolarHBondContact N-O 3.34Å; V149-M251 HydrophobicContact CG1-CE 4.42Å; V149-M251 HydrophobicContact CG2-CB 3.98Å; V152-M251 HydrophobicContact CG1-CE 3.91Å; V152-M251 HydrophobicContact CG1-SD 3.93Å; T175-M251 HydrophobicContact CG2-CG 4.47Å; V247-M251 HydrophobicContact CG1-CE 4.06Å; V247-M251 HydrophobicContact CG1-SD 4.43Å; V247-M251 VanDerWaalsContact O-CG 3.32Å; V247-M251 WeakPolarHBondContact O-CG 3.49Å; V247-M251 PolarHBondContact O-N 3.13Å; I248-M251 HydrophobicContact CB-CE 4.47Å; I248-M251 HydrophobicContact CG1-CE 3.99Å; I248-M251 WeakPolarHBondContact O-CB 3.47Å; I248-M251 PolarHBondContact O-N 3.13Å; I248-M251 VanDerWaalsContact O-N 3.15Å; V249-M251 VanDerWaalsContact C-N 3.34Å; V249-M251 PolarHBondContact O-N 2.88Å
252	I	97.3	Very high	97.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-80	-53.8	178.9	-64.8	168.4	0	0	0	111.7	S143 F146 V149 I248 V249 E250 L283 V287 P342	S143-I252 WeakPolarHBondContact CB-O 3.47Å; F146-I252 HydrophobicContact CD1-CG1 4.48Å; F146-I252 HydrophobicContact CD1-CG2 4.35Å; F146-I252 HydrophobicContact CE1-CD1 4.47Å; F146-I252 HydrophobicContact CE1-CG1 4.45Å; F146-I252 HydrophobicContact CE1-CG2 3.63Å; F146-I252 HydrophobicContact CZ-CG2 4.49Å; V149-I252 HydrophobicContact CB-CG1 4.18Å; V149-I252 HydrophobicContact CG1-CD1 3.98Å; V149-I252 HydrophobicContact CG1-CG1 3.75Å; V149-I252 HydrophobicContact CG2-CG1 3.84Å; I248-I252 HydrophobicContact CG2-CD1 3.93Å; I248-I252 WeakPolarHBondContact O-CG1 3.45Å; I248-I252 PolarHBondContact O-N 2.76Å; V249-I252 PolarHBondContact O-N 3.22Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 3.25Å; I252-L283 HydrophobicContact CB-CD2 4.49Å; I252-L283 HydrophobicContact CD1-CD1 4.29Å; I252-L283 HydrophobicContact CG2-CD2 3.66Å; I252-V287 HydrophobicContact CD1-CG2 3.84Å; I252-P342 HydrophobicContact CG2-CB 4.28Å; I252-P342 HydrophobicContact CG2-CG 3.69Å
253	K	95.8	Very high	97.1	Very high	69 Å²	69	33.5 Å²	33.5	30%	0.3	18%	0.182	S	C	.	.	H	α-helix	trans	-84.7	-14	-172.8	-64.5	-169.6	171	-176.3	0	113.2	V249 T255 L279 D282 L283	V249-K253 HydrophobicContact CG1-CD 3.99Å; V249-K253 HydrophobicContact CG1-CG 4.35Å; V249-K253 WeakPolarHBondContact O-CB 3.08Å; V249-K253 PolarHBondContact O-N 3.4Å; K253-T255 PolarHBondContact O-N 2.61Å; K253-L279 PolarHBondContact NZ-O 2.87Å; K253-D282 WeakPolarHBondContact CE-OD1 3.29Å; K253-D282 IonicContact NZ-OD1 2.83Å; K253-D282 PolarHBondContact NZ-OD1 3.1Å; K253-D282 IonicContact NZ-OD2 3.31Å; K253-L283 HydrophobicContact CD-CD2 4.44Å; K253-L283 VanDerWaalsContact CE-CD2 3.45Å; K253-L283 HydrophobicContact CG-CD2 4.18Å
254	G	95.6	Very high	97	Very high	11 Å²	11	36.9 Å²	36.9	11%	0.113	20%	0.203	C	C	.	.	S	Bend	trans	76.7	-8.3	-175.8	0	0	0	0	0	115.2	R136 C142 E250	R136-G254 PolarHBondContact NH1-O 3.06Å; C142-G254 WeakPolarHBondContact O-CA 3.37Å; E250-G254 CarbonylContact O-C 2.85Å; E250-G254 WeakPolarHBondContact O-CA 3.44Å; E250-G254 PolarHBondContact O-N 3.05Å
255	T	95.7	Very high	96.8	Very high	73 Å²	73	41.8 Å²	41.8	45%	0.448	23%	0.234	S	C	.	.	S	Bend	trans	-156.7	163.1	175.2	-167.6	0	0	0	0	110.4	K253 A259	K253-T255 PolarHBondContact O-N 2.61Å; T255-A259 VanDerWaalsContact OG1-CB 3.3Å; T255-A259 WeakPolarHBondContact OG1-CB 3.38Å
256	L	96.8	Very high	96.8	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	26%	0.256	C	S	.	.			trans	-104	155.5	163	-69	160.6	0	0	0	109.4	R223 Y224 V249 E250 W258 A259	R223-L256 HydrophobicContact CG-CD1 3.74Å; Y224-L256 HydrophobicContact CD1-CD1 4.3Å; Y224-L256 HydrophobicContact CE1-CD1 4.14Å; V249-L256 HydrophobicContact CB-CD2 4.06Å; V249-L256 HydrophobicContact CG1-CD2 3.77Å; E250-L256 HydrophobicContact CB-CD1 4.31Å; E250-L256 HydrophobicContact CB-CG 4.13Å; E250-L256 HydrophobicContact CG-CG 4.4Å; L256-W258 HydrophobicContact CB-CD2 4.4Å; L256-W258 HydrophobicContact CB-CZ2 4.39Å; L256-W258 HydrophobicContact CD1-CZ2 4.39Å; L256-W258 HydrophobicContact CD2-CH2 4.49Å; L256-W258 HydrophobicContact CD2-CZ2 4.03Å; L256-W258 PolarHBondContact O-N 3.04Å; L256-A259 HydrophobicContact CB-CB 4.35Å; L256-A259 VanDerWaalsContact O-CB 3.23Å; L256-A259 WeakPolarHBondContact O-CB 3.37Å; L256-A259 PolarHBondContact O-N 3.48Å
257	P	97.6	Very high	96.7	Very high	69 Å²	69	46.3 Å²	46.3	45%	0.448	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.2	177.8	-26.2	35	0	0	0	113.4	L279	P257-L279 HydrophobicContact CG-CD1 4.09Å
258	W	97.7	Very high	96.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	14.2	179.3	53.4	84.8	0	0	0	114.3	R223 Y246 L256 K260 M261 V267 C270 K271 N274 L279	R223-W258 PolarHBondContact O-NE1 2.87Å; Y246-W258 HydrophobicContact CD1-CH2 4.2Å; Y246-W258 AromaticContact CD1-CZ2 3.81Å; Y246-W258 HydrophobicContact CD1-CZ2 3.81Å; Y246-W258 AromaticContact CE1-CH2 3.95Å; Y246-W258 HydrophobicContact CE1-CH2 3.95Å; Y246-W258 AromaticContact CE1-CZ2 3.84Å; Y246-W258 HydrophobicContact CE1-CZ2 3.84Å; Y246-W258 HydrophobicContact CG-CZ2 4.23Å; L256-W258 HydrophobicContact CB-CD2 4.4Å; L256-W258 HydrophobicContact CB-CZ2 4.39Å; L256-W258 HydrophobicContact CD1-CZ2 4.39Å; L256-W258 HydrophobicContact CD2-CH2 4.49Å; L256-W258 HydrophobicContact CD2-CZ2 4.03Å; L256-W258 PolarHBondContact O-N 3.04Å; W258-K260 PolarHBondContact O-N 2.96Å; W258-K260 VanDerWaalsContact O-N 3.13Å; W258-M261 HydrophobicContact CB-CG 4.46Å; W258-M261 HydrophobicContact CB-SD 3.61Å; W258-M261 PolarHBondContact O-N 3.37Å; W258-M261 VanDerWaalsContact O-N 3.13Å; W258-V267 HydrophobicContact CB-CG1 4.21Å; W258-V267 HydrophobicContact CB-CG2 4.45Å; W258-V267 HydrophobicContact CG-CG1 4.02Å; W258-C270 HydrophobicContact CB-CB 4.05Å; W258-C270 HydrophobicContact CE3-CB 4.43Å; W258-K271 HydrophobicContact CD2-CG 3.76Å; W258-K271 HydrophobicContact CE3-CG 3.77Å; W258-K271 HydrophobicContact CH2-CG 3.71Å; W258-K271 HydrophobicContact CZ2-CD 4.24Å; W258-K271 HydrophobicContact CZ2-CG 3.7Å; W258-K271 HydrophobicContact CZ3-CB 4.39Å; W258-K271 HydrophobicContact CZ3-CG 3.74Å; W258-K271 VanDerWaalsContact NE1-CE 3.31Å; W258-N274 HydrophobicContact CZ3-CB 4.03Å; W258-L279 HydrophobicContact CH2-CD1 4.15Å; W258-L279 HydrophobicContact CH2-CD2 3.94Å; W258-L279 HydrophobicContact CZ3-CD1 4.38Å
259	A	95	Very high	96.7	Very high	12 Å²	12	55.3 Å²	55.3	10%	0.099	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.3	-170	0	0	0	0	0	115.1	R223 T255 L256	R223-A259 PolarHBondContact NE-O 3.01Å; R223-A259 PolarHBondContact NH2-O 2.87Å; T255-A259 VanDerWaalsContact OG1-CB 3.3Å; T255-A259 WeakPolarHBondContact OG1-CB 3.38Å; L256-A259 HydrophobicContact CB-CB 4.35Å; L256-A259 VanDerWaalsContact O-CB 3.23Å; L256-A259 WeakPolarHBondContact O-CB 3.37Å; L256-A259 PolarHBondContact O-N 3.48Å
260	K	93.8	Very high	96.7	Very high	201 Å²	201	56 Å²	56	87%	0.874	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.6	-179.8	-64	-175.8	-179.8	-179.9	0	113.9	W258	W258-K260 PolarHBondContact O-N 2.96Å; W258-K260 VanDerWaalsContact O-N 3.13Å
261	M	96.8	Very high	96.7	Very high	72 Å²	72	56 Å²	56	36%	0.355	30%	0.3	S	S	.	.			trans	-77.5	140.3	179.8	-66.3	169.7	179.8	0	0	109.9	W258 E266 V267 C270	W258-M261 HydrophobicContact CB-CG 4.46Å; W258-M261 HydrophobicContact CB-SD 3.61Å; W258-M261 PolarHBondContact O-N 3.37Å; W258-M261 VanDerWaalsContact O-N 3.13Å; M261-E266 HydrophobicContact SD-CB 4.36Å; M261-V267 HydrophobicContact CB-CG2 3.52Å; M261-C270 HydrophobicContact CE-CB 3.89Å; M261-C270 HydrophobicContact SD-CB 3.69Å
262	T	94.4	Very high	96.6	Very high	121 Å²	121	60.7 Å²	60.7	74%	0.742	32%	0.323	S	S	*	.			trans	-120.4	-14.4	-178.6	54.2	0	0	0	0	112.9
263	V	96.8	Very high	96.6	Very high	58 Å²	58	64.8 Å²	64.8	35%	0.352	35%	0.345	S	S	.	.			trans	-86.7	125.6	178.5	-176.6	0	0	0	0	109.5	T265 E266 V267	V263-T265 WeakPolarHBondContact CG1-OG1 3.44Å; V263-T265 PolarHBondContact O-N 3.4Å; V263-E266 HydrophobicContact CB-CB 4.16Å; V263-E266 HydrophobicContact CB-CG 3.84Å; V263-E266 HydrophobicContact CG1-CG 4.12Å; V263-E266 PolarHBondContact O-N 3.44Å; V263-V267 PolarHBondContact O-N 3.48Å; V263-V267 VanDerWaalsContact O-N 3.13Å
264	P	95.8	Very high	96.6	Very high	73 Å²	73	63 Å²	63	47%	0.474	34%	0.339	S	S	.	.	H	α-helix	trans	-57	-43.5	-176.3	-28.8	35.7	0	0	0	115.2	L222 E266 V267 H268	L222-P264 HydrophobicContact CD1-CB 3.79Å; L222-P264 HydrophobicContact CD1-CG 4.02Å; L222-P264 HydrophobicContact CD2-CG 4.33Å; P264-E266 VanDerWaalsContact C-N 3.33Å; P264-E266 PolarHBondContact O-N 2.8Å; P264-V267 PolarHBondContact O-N 3.3Å; P264-H268 WeakPolarHBondContact O-CB 3.13Å; P264-H268 PolarHBondContact O-N 2.97Å
265	T	96.3	Very high	96.5	Very high	104 Å²	104	64.3 Å²	64.3	64%	0.638	35%	0.345	S	S	*	.	H	α-helix	trans	-64.9	-35	179.8	50.6	0	0	0	0	112.8	V263 K269	V263-T265 WeakPolarHBondContact CG1-OG1 3.44Å; V263-T265 PolarHBondContact O-N 3.4Å; T265-K269 WeakPolarHBondContact O-CB 3.26Å; T265-K269 PolarHBondContact O-N 2.82Å
266	E	97.5	Very high	96.2	Very high	100 Å²	100	61.8 Å²	61.8	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-42.8	175.4	-65.1	179.9	166.7	0	0	111.7	M261 V263 P264 K269 C270	M261-E266 HydrophobicContact SD-CB 4.36Å; V263-E266 HydrophobicContact CB-CB 4.16Å; V263-E266 HydrophobicContact CB-CG 3.84Å; V263-E266 HydrophobicContact CG1-CG 4.12Å; V263-E266 PolarHBondContact O-N 3.44Å; P264-E266 VanDerWaalsContact C-N 3.33Å; P264-E266 PolarHBondContact O-N 2.8Å; E266-K269 PolarHBondContact O-N 3.15Å; E266-C270 VanDerWaalsContact O-CB 3.27Å; E266-C270 WeakPolarHBondContact O-CB 3.42Å; E266-C270 PolarHBondContact O-N 2.95Å
267	V	97.7	Very high	95.9	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.5	176.8	0	0	0	0	110.7	L222 W258 M261 V263 P264 C270 K271	L222-V267 HydrophobicContact CD2-CB 4.08Å; L222-V267 HydrophobicContact CD2-CG2 3.5Å; L222-V267 HydrophobicContact CG-CB 4.02Å; L222-V267 HydrophobicContact CG-CG1 4.13Å; L222-V267 HydrophobicContact CG-CG2 3.88Å; W258-V267 HydrophobicContact CB-CG1 4.21Å; W258-V267 HydrophobicContact CB-CG2 4.45Å; W258-V267 HydrophobicContact CG-CG1 4.02Å; M261-V267 HydrophobicContact CB-CG2 3.52Å; V263-V267 PolarHBondContact O-N 3.48Å; V263-V267 VanDerWaalsContact O-N 3.13Å; P264-V267 PolarHBondContact O-N 3.3Å; V267-C270 PolarHBondContact O-N 3.35Å; V267-K271 HydrophobicContact CG1-CD 4.29Å; V267-K271 WeakPolarHBondContact O-CG 3.21Å; V267-K271 PolarHBondContact O-N 3.14Å
268	H	97.6	Very high	95.8	Very high	50 Å²	50	69.4 Å²	69.4	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-53.6	176	-179	-131.7	0	0	0	111.1	H230 E231 P264 C270 K271 M272	H230-H268 HydrophobicContact CB-CB 3.97Å; H230-H268 VanDerWaalsContact CB-CD2 3.47Å; H230-H268 WeakPolarHBondContact CB-CD2 3.23Å; E231-H268 IonicContact OE1-NE2 2.69Å; P264-H268 WeakPolarHBondContact O-CB 3.13Å; P264-H268 PolarHBondContact O-N 2.97Å; H268-C270 VanDerWaalsContact C-N 3.33Å; H268-C270 PolarHBondContact O-N 2.87Å; H268-K271 WeakPolarHBondContact O-CB 3.33Å; H268-K271 PolarHBondContact O-N 3.49Å; H268-K271 VanDerWaalsContact O-N 3.11Å; H268-M272 WeakPolarHBondContact O-CG 3.27Å; H268-M272 PolarHBondContact O-N 3.16Å
269	K	97.8	Very high	95.7	Very high	138 Å²	138	69.6 Å²	69.6	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-56.7	-46.1	177.5	-176.7	179.2	177.7	-179.2	0	112	T265 E266 K271 M272 D273	T265-K269 WeakPolarHBondContact O-CB 3.26Å; T265-K269 PolarHBondContact O-N 2.82Å; E266-K269 PolarHBondContact O-N 3.15Å; K269-K271 VanDerWaalsContact C-N 3.27Å; K269-K271 PolarHBondContact O-N 3.32Å; K269-M272 PolarHBondContact O-N 2.84Å; K269-M272 VanDerWaalsContact O-N 3.12Å; K269-D273 VanDerWaalsContact O-CG 3.3Å; K269-D273 PolarHBondContact O-N 3.07Å
270	C	98.1	Very high	95.8	Very high	16 Å²	16	69.2 Å²	69.2	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-63.6	-32.1	-179.9	-170.3	0	0	0	0	112.8	W258 M261 E266 V267 H268 N274	W258-C270 HydrophobicContact CB-CB 4.05Å; W258-C270 HydrophobicContact CE3-CB 4.43Å; M261-C270 HydrophobicContact CE-CB 3.89Å; M261-C270 HydrophobicContact SD-CB 3.69Å; E266-C270 VanDerWaalsContact O-CB 3.27Å; E266-C270 WeakPolarHBondContact O-CB 3.42Å; E266-C270 PolarHBondContact O-N 2.95Å; V267-C270 PolarHBondContact O-N 3.35Å; H268-C270 VanDerWaalsContact C-N 3.33Å; H268-C270 PolarHBondContact O-N 2.87Å; C270-N274 WeakPolarHBondContact O-CB 3.24Å; C270-N274 PolarHBondContact O-N 3.15Å; C270-N274 PolarHBondContact O-ND2 3.29Å
271	K	97.8	Very high	95.9	Very high	1 Å²	1	65.6 Å²	65.6	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-68.1	-43.6	172	-75.2	176.2	-179.3	173.7	0	111.8	L222 R223 A225 I227 H230 W258 V267 H268 K269 D273 N274	L222-K271 PolarHBondContact O-NZ 3.14Å; R223-K271 PolarHBondContact O-NZ 3.45Å; A225-K271 PolarHBondContact O-NZ 2.87Å; I227-K271 HydrophobicContact CD1-CB 4.37Å; I227-K271 HydrophobicContact CG1-CB 4.06Å; I227-K271 HydrophobicContact CG1-CD 4.46Å; H230-K271 PolarHBondContact NE2-NZ 3.46Å; H230-K271 VanDerWaalsContact NE2-NZ 3.1Å; W258-K271 HydrophobicContact CD2-CG 3.76Å; W258-K271 HydrophobicContact CE3-CG 3.77Å; W258-K271 HydrophobicContact CH2-CG 3.71Å; W258-K271 HydrophobicContact CZ2-CD 4.24Å; W258-K271 HydrophobicContact CZ2-CG 3.7Å; W258-K271 HydrophobicContact CZ3-CB 4.39Å; W258-K271 HydrophobicContact CZ3-CG 3.74Å; W258-K271 VanDerWaalsContact NE1-CE 3.31Å; V267-K271 HydrophobicContact CG1-CD 4.29Å; V267-K271 WeakPolarHBondContact O-CG 3.21Å; V267-K271 PolarHBondContact O-N 3.14Å; H268-K271 WeakPolarHBondContact O-CB 3.33Å; H268-K271 PolarHBondContact O-N 3.49Å; H268-K271 VanDerWaalsContact O-N 3.11Å; K269-K271 VanDerWaalsContact C-N 3.27Å; K269-K271 PolarHBondContact O-N 3.32Å; K271-D273 VanDerWaalsContact C-N 3.28Å; K271-D273 PolarHBondContact O-N 3.49Å; K271-N274 CarbonylContact O-C 3.55Å; K271-N274 PolarHBondContact O-N 3.47Å; K271-N274 VanDerWaalsContact O-N 3.08Å; K271-N274 VanDerWaalsContact O-O 3.13Å
272	M	96.6	Very high	95.8	Very high	98 Å²	98	65.9 Å²	65.9	48%	0.483	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-36.2	175.1	-62	-56.2	-72.8	0	0	112.1	I227 H268 K269 N274	I227-M272 HydrophobicContact CD1-SD 3.85Å; I227-M272 HydrophobicContact CG1-SD 4.28Å; I227-M272 HydrophobicContact CG2-SD 3.68Å; H268-M272 WeakPolarHBondContact O-CG 3.27Å; H268-M272 PolarHBondContact O-N 3.16Å; K269-M272 PolarHBondContact O-N 2.84Å; K269-M272 VanDerWaalsContact O-N 3.12Å; M272-N274 PolarHBondContact O-N 3.08Å
273	D	97	Very high	95.8	Very high	88 Å²	88	60.5 Å²	60.5	47%	0.471	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.5	176.4	-65.5	-24.1	0	0	0	113.5	K269 K271 K278	K269-D273 VanDerWaalsContact O-CG 3.3Å; K269-D273 PolarHBondContact O-N 3.07Å; K271-D273 VanDerWaalsContact C-N 3.28Å; K271-D273 PolarHBondContact O-N 3.49Å; D273-K278 PolarHBondContact O-NZ 2.8Å
274	N	96.4	Very high	95.8	Very high	33 Å²	33	58.4 Å²	58.4	18%	0.176	30%	0.301	C	S	.	.	S	Bend	trans	-131.2	65.3	178	-67.3	-83.5	0	0	0	109.7	W258 C270 K271 M272 K278	W258-N274 HydrophobicContact CZ3-CB 4.03Å; C270-N274 WeakPolarHBondContact O-CB 3.24Å; C270-N274 PolarHBondContact O-N 3.15Å; C270-N274 PolarHBondContact O-ND2 3.29Å; K271-N274 CarbonylContact O-C 3.55Å; K271-N274 PolarHBondContact O-N 3.47Å; K271-N274 VanDerWaalsContact O-N 3.08Å; K271-N274 VanDerWaalsContact O-O 3.13Å; M272-N274 PolarHBondContact O-N 3.08Å; N274-K278 WeakPolarHBondContact OD1-CE 3.28Å
275	P	92.8	Very high	95.7	Very high	38 Å²	38	57.5 Å²	57.5	25%	0.247	30%	0.297	C	S	.	.			trans	-60.7	158.9	-179.7	31.4	-39	0	0	0	110.5	E277 K278 L279	P275-E277 VanDerWaalsContact C-N 3.27Å; P275-E277 VanDerWaalsContact CB-OE1 3.24Å; P275-E277 WeakPolarHBondContact CB-OE1 3.44Å; P275-E277 WeakPolarHBondContact CG-OE1 3.47Å; P275-E277 PolarHBondContact O-N 2.82Å; P275-E277 VanDerWaalsContact O-N 3.13Å; P275-K278 HydrophobicContact CG-CB 4.14Å; P275-K278 WeakPolarHBondContact O-CA 3.23Å; P275-K278 WeakPolarHBondContact O-CB 3.39Å; P275-K278 PolarHBondContact O-N 3.18Å; P275-L279 PolarHBondContact O-N 2.9Å
276	P	90.1	Very high	95.8	Very high	20 Å²	20	52.6 Å²	52.6	13%	0.13	27%	0.267	C	S	.	.	H	α-helix	trans	-49.9	-45.3	-168.2	-25.2	32.2	0	0	0	113.4	W242 K278 L279 V280 A291	W242-P276 HydrophobicContact CH2-CB 4.02Å; W242-P276 HydrophobicContact CH2-CG 3.39Å; W242-P276 HydrophobicContact CZ3-CB 4.07Å; W242-P276 HydrophobicContact CZ3-CG 3.59Å; P276-K278 VanDerWaalsContact C-N 3.32Å; P276-K278 PolarHBondContact O-N 3.05Å; P276-L279 WeakPolarHBondContact O-CB 3.45Å; P276-L279 PolarHBondContact O-N 3.38Å; P276-L279 VanDerWaalsContact O-N 3.11Å; P276-V280 WeakPolarHBondContact O-CG2 3.39Å; P276-V280 PolarHBondContact O-N 3.5Å; P276-A291 HydrophobicContact CB-CB 3.94Å
277	E	91	Very high	95.8	Very high	119 Å²	119	47.8 Å²	47.8	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-57.8	-39.6	177.9	66.1	-77.7	-177.5	0	0	113.2	P275 I281	P275-E277 VanDerWaalsContact C-N 3.27Å; P275-E277 VanDerWaalsContact CB-OE1 3.24Å; P275-E277 WeakPolarHBondContact CB-OE1 3.44Å; P275-E277 WeakPolarHBondContact CG-OE1 3.47Å; P275-E277 PolarHBondContact O-N 2.82Å; P275-E277 VanDerWaalsContact O-N 3.13Å; E277-I281 WeakPolarHBondContact O-CB 3.28Å; E277-I281 PolarHBondContact O-N 3.49Å
278	K	95.4	Very high	95.8	Very high	112 Å²	112	51.6 Å²	51.6	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-75.2	-39.2	175	176.8	177	167.5	-170.2	0	111.2	D273 N274 P275 P276 V280 I281	D273-K278 PolarHBondContact O-NZ 2.8Å; N274-K278 WeakPolarHBondContact OD1-CE 3.28Å; P275-K278 HydrophobicContact CG-CB 4.14Å; P275-K278 WeakPolarHBondContact O-CA 3.23Å; P275-K278 WeakPolarHBondContact O-CB 3.39Å; P275-K278 PolarHBondContact O-N 3.18Å; P276-K278 VanDerWaalsContact C-N 3.32Å; P276-K278 PolarHBondContact O-N 3.05Å; K278-V280 VanDerWaalsContact C-N 3.27Å; K278-V280 PolarHBondContact O-N 3.23Å; K278-I281 WeakPolarHBondContact O-CG2 3.07Å
279	L	96	Very high	95.9	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-34	-178.2	-176.4	66.8	0	0	0	112.2	Y246 V249 K253 P257 W258 P275 P276	Y246-L279 HydrophobicContact CD1-CD2 3.8Å; Y246-L279 HydrophobicContact CE1-CD2 3.81Å; V249-L279 HydrophobicContact CG1-CD1 4.18Å; V249-L279 HydrophobicContact CG1-CD2 4.48Å; V249-L279 HydrophobicContact CG1-CG 4.16Å; V249-L279 HydrophobicContact CG2-CD2 4.3Å; V249-L279 HydrophobicContact CG2-CG 4.42Å; K253-L279 PolarHBondContact NZ-O 2.87Å; P257-L279 HydrophobicContact CG-CD1 4.09Å; W258-L279 HydrophobicContact CH2-CD1 4.15Å; W258-L279 HydrophobicContact CH2-CD2 3.94Å; W258-L279 HydrophobicContact CZ3-CD1 4.38Å; P275-L279 PolarHBondContact O-N 2.9Å; P276-L279 WeakPolarHBondContact O-CB 3.45Å; P276-L279 PolarHBondContact O-N 3.38Å; P276-L279 VanDerWaalsContact O-N 3.11Å
280	V	96.7	Very high	95.9	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	24%	0.237	C	C	.	.	S	Bend	trans	-111.3	5.6	-171.8	-56.5	0	0	0	0	114.2	L245 V249 P276 K278 D282 L283 V287 K288 A291	L245-V280 HydrophobicContact CD1-CG1 4.45Å; V249-V280 HydrophobicContact CG2-CG1 3.94Å; P276-V280 WeakPolarHBondContact O-CG2 3.39Å; P276-V280 PolarHBondContact O-N 3.5Å; K278-V280 VanDerWaalsContact C-N 3.27Å; K278-V280 PolarHBondContact O-N 3.23Å; V280-D282 PolarHBondContact O-N 3.43Å; V280-D282 VanDerWaalsContact O-N 3.1Å; V280-L283 HydrophobicContact CB-CB 4.47Å; V280-L283 HydrophobicContact CB-CD1 4.19Å; V280-L283 HydrophobicContact CB-CG 4.49Å; V280-L283 HydrophobicContact CG1-CD1 4.17Å; V280-L283 WeakPolarHBondContact O-CB 3.41Å; V280-L283 PolarHBondContact O-N 3.36Å; V280-V287 HydrophobicContact CB-CG1 4.3Å; V280-V287 HydrophobicContact CG1-CG1 3.88Å; V280-K288 HydrophobicContact CB-CG 4.3Å; V280-K288 HydrophobicContact CG2-CB 4.34Å; V280-K288 HydrophobicContact CG2-CG 3.97Å; V280-K288 WeakPolarHBondContact O-CG 3.45Å; V280-A291 HydrophobicContact CG2-CB 4.05Å
281	I	95.6	Very high	95.9	Very high	126 Å²	126	45.2 Å²	45.2	65%	0.646	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-37	-172.5	-164.7	166.9	0	0	0	114.5	E277 K278	E277-I281 WeakPolarHBondContact O-CB 3.28Å; E277-I281 PolarHBondContact O-N 3.49Å; K278-I281 WeakPolarHBondContact O-CG2 3.07Å
282	D	93.9	Very high	95.9	Very high	78 Å²	78	50.6 Å²	50.6	42%	0.417	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	11.4	-177.3	64.9	-36.2	0	0	0	113.5	K253 V280	K253-D282 WeakPolarHBondContact CE-OD1 3.29Å; K253-D282 IonicContact NZ-OD1 2.83Å; K253-D282 PolarHBondContact NZ-OD1 3.1Å; K253-D282 IonicContact NZ-OD2 3.31Å; V280-D282 PolarHBondContact O-N 3.43Å; V280-D282 VanDerWaalsContact O-N 3.1Å
283	L	95.7	Very high	96	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	25%	0.247	C	C	.	.	S	Bend	trans	-101.4	163.2	-176.9	-57.5	-169.7	0	0	0	112.6	V249 I252 K253 V280 V287 K288	V249-L283 HydrophobicContact CB-CD1 4.48Å; V249-L283 HydrophobicContact CG1-CD1 4.36Å; V249-L283 HydrophobicContact CG2-CD1 3.87Å; I252-L283 HydrophobicContact CB-CD2 4.49Å; I252-L283 HydrophobicContact CD1-CD1 4.29Å; I252-L283 HydrophobicContact CG2-CD2 3.66Å; K253-L283 HydrophobicContact CD-CD2 4.44Å; K253-L283 VanDerWaalsContact CE-CD2 3.45Å; K253-L283 HydrophobicContact CG-CD2 4.18Å; V280-L283 HydrophobicContact CB-CB 4.47Å; V280-L283 HydrophobicContact CB-CD1 4.19Å; V280-L283 HydrophobicContact CB-CG 4.49Å; V280-L283 HydrophobicContact CG1-CD1 4.17Å; V280-L283 WeakPolarHBondContact O-CB 3.41Å; V280-L283 PolarHBondContact O-N 3.36Å; L283-V287 HydrophobicContact CB-CB 4.13Å; L283-V287 HydrophobicContact CB-CG1 4.35Å; L283-V287 HydrophobicContact CB-CG2 4.5Å; L283-V287 HydrophobicContact CD1-CB 4.49Å; L283-V287 HydrophobicContact CD1-CG1 3.85Å; L283-K288 VanDerWaalsContact O-CE 3.24Å; L283-K288 WeakPolarHBondContact O-CE 3.48Å
284	P	95.2	Very high	96	Very high	13 Å²	13	43.7 Å²	43.7	8%	0.084	23%	0.225	C	C	.	.			trans	-54.8	154	176.8	-26.6	35.4	0	0	0	113	F146 A286 V287 K288 T315	F146-P284 HydrophobicContact CD1-CG 3.63Å; F146-P284 HydrophobicContact CE1-CG 3.44Å; F146-P284 VanDerWaalsContact CE1-CG 3.44Å; F146-P284 HydrophobicContact CE2-CG 4.45Å; F146-P284 HydrophobicContact CG-CG 4.22Å; F146-P284 HydrophobicContact CZ-CG 3.88Å; P284-A286 VanDerWaalsContact C-N 3.3Å; P284-A286 PolarHBondContact O-N 2.85Å; P284-V287 PolarHBondContact O-N 2.95Å; P284-K288 PolarHBondContact O-N 3.14Å; P284-T315 HydrophobicContact CB-CG2 4.1Å
285	S	95.2	Very high	96	Very high	55 Å²	55	48.1 Å²	48.1	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-51.4	-45.5	-177.7	45.4	0	0	0	0	112.6	V287 K288 D289 T315	S285-V287 PolarHBondContact O-N 2.72Å; S285-K288 WeakPolarHBondContact O-CA 3.5Å; S285-K288 WeakPolarHBondContact O-CB 3.34Å; S285-K288 PolarHBondContact O-N 3.48Å; S285-D289 WeakPolarHBondContact O-CB 3.42Å; S285-D289 PolarHBondContact O-N 3.3Å; S285-T315 PolarHBondContact OG-OG1 3.28Å
286	A	97.6	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-49.4	-39.6	177	0	0	0	0	0	114.4	P284 M290 L311 F312 T315	P284-A286 VanDerWaalsContact C-N 3.3Å; P284-A286 PolarHBondContact O-N 2.85Å; A286-M290 WeakPolarHBondContact O-CB 3.39Å; A286-M290 PolarHBondContact O-N 2.78Å; A286-L311 HydrophobicContact CB-CB 4.21Å; A286-L311 WeakPolarHBondContact CB-O 3.37Å; A286-F312 HydrophobicContact CB-CD1 3.9Å; A286-F312 HydrophobicContact CB-CD2 4.37Å; A286-F312 HydrophobicContact CB-CE1 4Å; A286-F312 HydrophobicContact CB-CE2 4.46Å; A286-F312 HydrophobicContact CB-CG 4.06Å; A286-F312 HydrophobicContact CB-CZ 4.26Å; A286-T315 HydrophobicContact CB-CG2 4.49Å; A286-T315 WeakPolarHBondContact CB-OG1 3.45Å; A286-T315 PolarHBondContact N-OG1 2.76Å
287	V	98.1	Very high	96.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-75.9	-36.3	-178.3	-170.8	0	0	0	0	110.9	L245 I248 V249 I252 V280 L283 P284 S285 A291 F312	L245-V287 HydrophobicContact CD1-CG1 3.8Å; I248-V287 HydrophobicContact CG2-CG1 4.3Å; I248-V287 HydrophobicContact CG2-CG2 3.99Å; V249-V287 HydrophobicContact CG2-CG1 4.28Å; I252-V287 HydrophobicContact CD1-CG2 3.84Å; V280-V287 HydrophobicContact CB-CG1 4.3Å; V280-V287 HydrophobicContact CG1-CG1 3.88Å; L283-V287 HydrophobicContact CB-CB 4.13Å; L283-V287 HydrophobicContact CB-CG1 4.35Å; L283-V287 HydrophobicContact CB-CG2 4.5Å; L283-V287 HydrophobicContact CD1-CB 4.49Å; L283-V287 HydrophobicContact CD1-CG1 3.85Å; P284-V287 PolarHBondContact O-N 2.95Å; S285-V287 PolarHBondContact O-N 2.72Å; V287-A291 PolarHBondContact O-N 3.33Å; V287-A291 VanDerWaalsContact O-N 3.11Å; V287-F312 HydrophobicContact CG2-CE1 4.29Å; V287-F312 HydrophobicContact CG2-CZ 4.5Å
288	K	98	Very high	96.7	Very high	80 Å²	80	48.4 Å²	48.4	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-68.3	-46.7	176	-60.8	-177.9	-70.7	-172.3	0	111.2	V280 L283 P284 S285 M290 A291 L292	V280-K288 HydrophobicContact CB-CG 4.3Å; V280-K288 HydrophobicContact CG2-CB 4.34Å; V280-K288 HydrophobicContact CG2-CG 3.97Å; V280-K288 WeakPolarHBondContact O-CG 3.45Å; L283-K288 VanDerWaalsContact O-CE 3.24Å; L283-K288 WeakPolarHBondContact O-CE 3.48Å; P284-K288 PolarHBondContact O-N 3.14Å; S285-K288 WeakPolarHBondContact O-CA 3.5Å; S285-K288 WeakPolarHBondContact O-CB 3.34Å; S285-K288 PolarHBondContact O-N 3.48Å; K288-M290 VanDerWaalsContact C-N 3.34Å; K288-M290 PolarHBondContact O-N 2.89Å; K288-A291 WeakPolarHBondContact O-CB 3.41Å; K288-A291 PolarHBondContact O-N 2.96Å; K288-A291 VanDerWaalsContact O-N 3.15Å; K288-L292 WeakPolarHBondContact O-CG 3.47Å; K288-L292 PolarHBondContact O-N 3.11Å
289	D	98.1	Very high	96.6	Very high	65 Å²	65	45.7 Å²	45.7	35%	0.348	25%	0.248	S	C	.	.	H	α-helix	trans	-68.3	-36	-179.7	-59	-24.8	0	0	0	111	S285 L292 Y293 L311	S285-D289 WeakPolarHBondContact O-CB 3.42Å; S285-D289 PolarHBondContact O-N 3.3Å; D289-L292 PolarHBondContact O-N 3.33Å; D289-Y293 WeakPolarHBondContact O-CB 3.48Å; D289-Y293 PolarHBondContact O-N 2.89Å; D289-L311 HydrophobicContact CB-CD1 3.77Å; D289-L311 HydrophobicContact CB-CD2 3.65Å; D289-L311 HydrophobicContact CB-CG 4.32Å
290	M	98.5	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-47.2	169.5	176.3	175	-175.1	0	0	111.1	L244 L245 I248 A286 K288 L292 Y293 L294 L308 L311 F312	L244-M290 HydrophobicContact CB-CE 4.4Å; L244-M290 HydrophobicContact CD2-CE 4.3Å; L244-M290 HydrophobicContact CG-CE 4.3Å; L245-M290 HydrophobicContact CB-CE 4.18Å; L245-M290 HydrophobicContact CD1-CG 4.22Å; L245-M290 HydrophobicContact CD1-SD 4.15Å; I248-M290 HydrophobicContact CD1-CE 4.35Å; I248-M290 HydrophobicContact CD1-SD 3.92Å; A286-M290 WeakPolarHBondContact O-CB 3.39Å; A286-M290 PolarHBondContact O-N 2.78Å; K288-M290 VanDerWaalsContact C-N 3.34Å; K288-M290 PolarHBondContact O-N 2.89Å; M290-L292 PolarHBondContact O-N 3.34Å; M290-Y293 PolarHBondContact O-N 2.84Å; M290-L294 HydrophobicContact CE-CD1 4.03Å; M290-L294 HydrophobicContact CG-CD1 4.19Å; M290-L294 HydrophobicContact CG-CG 4.32Å; M290-L294 VanDerWaalsContact O-CG 3.27Å; M290-L294 WeakPolarHBondContact O-CG 3.49Å; M290-L294 PolarHBondContact O-N 2.81Å; M290-L308 HydrophobicContact CB-CD2 4.09Å; M290-L308 HydrophobicContact CG-CD2 3.76Å; M290-L311 HydrophobicContact CB-CD1 4.48Å; M290-F312 HydrophobicContact SD-CE2 3.9Å; M290-F312 HydrophobicContact SD-CZ 4.01Å
291	A	98.1	Very high	96.4	Very high	5 Å²	5	51.1 Å²	51.1	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-45.6	179.3	0	0	0	0	0	112.3	L245 P276 V280 V287 K288 Y293 L294 D295	L245-A291 HydrophobicContact CD1-CB 4.43Å; L245-A291 HydrophobicContact CD2-CB 3.88Å; P276-A291 HydrophobicContact CB-CB 3.94Å; V280-A291 HydrophobicContact CG2-CB 4.05Å; V287-A291 PolarHBondContact O-N 3.33Å; V287-A291 VanDerWaalsContact O-N 3.11Å; K288-A291 WeakPolarHBondContact O-CB 3.41Å; K288-A291 PolarHBondContact O-N 2.96Å; K288-A291 VanDerWaalsContact O-N 3.15Å; A291-Y293 VanDerWaalsContact C-N 3.35Å; A291-Y293 PolarHBondContact O-N 3.19Å; A291-L294 PolarHBondContact O-N 3.3Å; A291-D295 PolarHBondContact O-N 3.3Å
292	L	97.5	Very high	96.4	Very high	115 Å²	115	49.4 Å²	49.4	60%	0.602	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-43.6	175.8	-69.1	173.5	0	0	0	111.7	K288 D289 M290 D295	K288-L292 WeakPolarHBondContact O-CG 3.47Å; K288-L292 PolarHBondContact O-N 3.11Å; D289-L292 PolarHBondContact O-N 3.33Å; M290-L292 PolarHBondContact O-N 3.34Å; L292-D295 PolarHBondContact O-N 3.31Å
293	Y	98.3	Very high	96.6	Very high	40 Å²	40	45.9 Å²	45.9	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-44.1	178.2	174.4	-110.5	0	0	0	112.4	D289 M290 A291 D295 T296 L297 N304 L307 L308	D289-Y293 WeakPolarHBondContact O-CB 3.48Å; D289-Y293 PolarHBondContact O-N 2.89Å; M290-Y293 PolarHBondContact O-N 2.84Å; A291-Y293 VanDerWaalsContact C-N 3.35Å; A291-Y293 PolarHBondContact O-N 3.19Å; Y293-D295 PolarHBondContact O-N 2.75Å; Y293-T296 WeakPolarHBondContact O-CB 3.16Å; Y293-T296 PolarHBondContact O-N 2.87Å; Y293-T296 PolarHBondContact O-OG1 3.13Å; Y293-L297 HydrophobicContact CE1-CD1 4.04Å; Y293-L297 HydrophobicContact CE1-CD2 4.41Å; Y293-L297 HydrophobicContact CE1-CG 4.39Å; Y293-L297 HydrophobicContact CE2-CD2 4.43Å; Y293-N304 WeakPolarHBondContact OH-CB 3.27Å; Y293-N304 PolarHBondContact OH-N 2.7Å; Y293-L307 HydrophobicContact CD2-CD2 3.69Å; Y293-L307 HydrophobicContact CE2-CD2 3.88Å; Y293-L307 HydrophobicContact CG-CD2 4.04Å; Y293-L308 HydrophobicContact CD1-CD1 4.33Å; Y293-L308 HydrophobicContact CD1-CD2 3.66Å; Y293-L308 HydrophobicContact CD1-CG 3.99Å; Y293-L308 HydrophobicContact CE1-CD1 4.18Å; Y293-L308 HydrophobicContact CE1-CD2 4.27Å; Y293-L308 HydrophobicContact CE1-CG 4.08Å
294	L	98.2	Very high	96.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-26.6	-179.3	-68.6	-177	0	0	0	113.5	L241 W242 L245 M290 A291 T296 L297	L241-L294 HydrophobicContact CB-CD1 4.26Å; L241-L294 HydrophobicContact CB-CD2 3.55Å; L241-L294 HydrophobicContact CD1-CD2 4.02Å; L241-L294 HydrophobicContact CG-CD2 4.44Å; W242-L294 HydrophobicContact CD2-CB 4.2Å; W242-L294 HydrophobicContact CD2-CD1 4.09Å; W242-L294 HydrophobicContact CE3-CD1 4.26Å; W242-L294 HydrophobicContact CG-CD1 4.32Å; W242-L294 HydrophobicContact CH2-CB 4.13Å; W242-L294 HydrophobicContact CZ2-CB 3.64Å; L245-L294 HydrophobicContact CB-CD1 4.09Å; L245-L294 HydrophobicContact CD2-CD1 4.35Å; M290-L294 HydrophobicContact CE-CD1 4.03Å; M290-L294 HydrophobicContact CG-CD1 4.19Å; M290-L294 HydrophobicContact CG-CG 4.32Å; M290-L294 VanDerWaalsContact O-CG 3.27Å; M290-L294 WeakPolarHBondContact O-CG 3.49Å; M290-L294 PolarHBondContact O-N 2.81Å; A291-L294 PolarHBondContact O-N 3.3Å; L294-T296 PolarHBondContact O-N 3.29Å; L294-L297 HydrophobicContact CD2-CD1 3.8Å; L294-L297 PolarHBondContact O-N 3.42Å
295	D	95.7	Very high	96.8	Very high	126 Å²	126	49.2 Å²	49.2	67%	0.674	27%	0.269	S	S	*	.	H	α-helix	trans	-70.6	-20.1	175.9	-154.2	50.8	0	0	0	112.6	A291 L292 Y293	A291-D295 PolarHBondContact O-N 3.3Å; L292-D295 PolarHBondContact O-N 3.31Å; Y293-D295 PolarHBondContact O-N 2.75Å
296	T	97	Very high	97	Very high	93 Å²	93	49.3 Å²	49.3	57%	0.571	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.3	176.3	72	0	0	0	0	113.7	Y293 L294	Y293-T296 WeakPolarHBondContact O-CB 3.16Å; Y293-T296 PolarHBondContact O-N 2.87Å; Y293-T296 PolarHBondContact O-OG1 3.13Å; L294-T296 PolarHBondContact O-N 3.29Å
297	L	97.2	Very high	97	Very high	18 Å²	18	52.5 Å²	52.5	9%	0.094	29%	0.29	C	S	.	.			trans	-85.4	128.7	-171.5	-67.9	178.7	0	0	0	112.8	K238 Y293 L294 D301 P303	K238-L297 HydrophobicContact CB-CB 3.94Å; K238-L297 HydrophobicContact CB-CD1 4.02Å; K238-L297 HydrophobicContact CD-CB 4.29Å; K238-L297 VanDerWaalsContact CD-O 3.29Å; K238-L297 WeakPolarHBondContact CD-O 3.3Å; Y293-L297 HydrophobicContact CE1-CD1 4.04Å; Y293-L297 HydrophobicContact CE1-CD2 4.41Å; Y293-L297 HydrophobicContact CE1-CG 4.39Å; Y293-L297 HydrophobicContact CE2-CD2 4.43Å; L294-L297 HydrophobicContact CD2-CD1 3.8Å; L294-L297 PolarHBondContact O-N 3.42Å; L297-D301 HydrophobicContact CD2-CB 3.99Å; L297-P303 HydrophobicContact CD1-CB 4.18Å; L297-P303 HydrophobicContact CD1-CG 4.17Å
298	S	94.9	Very high	97	Very high	71 Å²	71	52.5 Å²	52.5	50%	0.497	29%	0.29	S	S	.	.			trans	-86.2	167.3	168.5	-59.8	0	0	0	0	111.9	S300 D301	S298-S300 VanDerWaalsContact C-N 3.34Å; S298-S300 PolarHBondContact O-N 3.21Å; S298-D301 WeakPolarHBondContact CB-OD2 3.46Å; S298-D301 PolarHBondContact N-OD2 3.31Å; S298-D301 PolarHBondContact O-N 3.34Å
299	F	93.4	Very high	97.1	Very high	56 Å²	56	49.1 Å²	49.1	25%	0.246	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-44	-176.3	169.2	-108.3	0	0	0	114.2	H209 Y210 H234	H209-F299 AromaticContact CE1-CE1 3.49Å; H209-F299 VanDerWaalsContact CE1-CE1 3.49Å; H209-F299 WeakPolarHBondContact CE1-CE1 3.39Å; H209-F299 AromaticContact CE1-CZ 3.56Å; H209-F299 AromaticContact ND1-CE1 3.7Å; Y210-F299 HydrophobicContact CD2-CZ 4.13Å; Y210-F299 HydrophobicContact CE2-CE1 4.38Å; Y210-F299 HydrophobicContact CE2-CE2 4.37Å; Y210-F299 AromaticContact CE2-CZ 3.51Å; Y210-F299 HydrophobicContact CE2-CZ 3.51Å; Y210-F299 AromaticContact CZ-CZ 3.91Å; Y210-F299 WeakPolarHBondContact O-CE1 3.32Å; H234-F299 HydrophobicContact CB-CE2 3.86Å; H234-F299 HydrophobicContact CB-CZ 4.1Å; H234-F299 WeakPolarHBondContact O-CD2 3.49Å; H234-F299 WeakPolarHBondContact O-CE2 3.34Å
300	S	93	Very high	97.1	Very high	65 Å²	65	49.5 Å²	49.5	46%	0.455	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.3	-176.3	51.2	0	0	0	0	114.5	R237 S298	R237-S300 PolarHBondContact NH2-O 3.21Å; S298-S300 VanDerWaalsContact C-N 3.34Å; S298-S300 PolarHBondContact O-N 3.21Å
301	D	94.9	Very high	97.1	Very high	59 Å²	59	50.6 Å²	50.6	32%	0.316	28%	0.283	S	S	.	.			trans	-62.7	149.2	-170.9	-72.4	-9.9	0	0	0	111.8	R237 L297 S298 P303	R237-D301 VanDerWaalsContact CZ-O 3.28Å; R237-D301 PolarHBondContact NE-O 2.79Å; R237-D301 VanDerWaalsContact NE-O 3.1Å; R237-D301 PolarHBondContact NH2-O 3.3Å; L297-D301 HydrophobicContact CD2-CB 3.99Å; S298-D301 WeakPolarHBondContact CB-OD2 3.46Å; S298-D301 PolarHBondContact N-OD2 3.31Å; S298-D301 PolarHBondContact O-N 3.34Å; D301-P303 WeakPolarHBondContact O-CD 3.42Å
302	E	95.3	Very high	97.1	Very high	90 Å²	90	50.3 Å²	50.3	42%	0.421	28%	0.281	S	S	.	.			trans	-88.8	113	164.9	-175.9	152.9	160	0	0	108.8	R95 R237 N304 Y305	R95-E302 IonicContact CZ-OE1 2.63Å; R95-E302 IonicContact CZ-OE2 3.95Å; R95-E302 IonicContact NE-OE1 3.13Å; R95-E302 PolarHBondContact NE-OE1 3.34Å; R95-E302 IonicContact NE-OE2 2.64Å; R95-E302 PolarHBondContact NE-OE2 2.67Å; R95-E302 IonicContact NH1-OE1 3.78Å; R95-E302 PolarHBondContact NH1-OE1 2.6Å; R95-E302 IonicContact NH2-OE1 3.93Å; R95-E302 IonicContact NH2-OE2 3Å; R237-E302 VanDerWaalsContact CZ-CA 3.45Å; R237-E302 IonicContact NH1-OE2 3.04Å; R237-E302 PolarHBondContact NH1-OE2 2.57Å; R237-E302 VanDerWaalsContact NH2-CA 3.26Å; R237-E302 VanDerWaalsContact NH2-N 3.19Å; E302-N304 PolarHBondContact O-N 3.38Å; E302-Y305 HydrophobicContact CG-CE2 4.49Å
303	P	97.8	Very high	97.1	Very high	3 Å²	3	49 Å²	49	2%	0.019	27%	0.271	C	S	.	.			trans	-59.8	140	174.2	-21.4	31.5	0	0	0	111.2	R237 L241 L297 D301 Y305	R237-P303 HydrophobicContact CB-CG 4.02Å; L241-P303 HydrophobicContact CD1-CB 3.42Å; L241-P303 VanDerWaalsContact CD1-CB 3.42Å; L241-P303 HydrophobicContact CD1-CG 3.54Å; L297-P303 HydrophobicContact CD1-CB 4.18Å; L297-P303 HydrophobicContact CD1-CG 4.17Å; D301-P303 WeakPolarHBondContact O-CD 3.42Å; P303-Y305 VanDerWaalsContact C-N 3.32Å; P303-Y305 HydrophobicContact CB-CD1 4.41Å; P303-Y305 HydrophobicContact CB-CE1 3.98Å; P303-Y305 HydrophobicContact CB-CE2 4.16Å; P303-Y305 WeakPolarHBondContact CD-OH 3.31Å; P303-Y305 HydrophobicContact CG-CE1 4.23Å; P303-Y305 HydrophobicContact CG-CE2 4.5Å; P303-Y305 WeakPolarHBondContact O-CD2 3.1Å; P303-Y305 WeakPolarHBondContact O-CE2 3.43Å; P303-Y305 PolarHBondContact O-N 2.88Å
304	N	98.1	Very high	97.1	Very high	82 Å²	82	53 Å²	53	44%	0.439	29%	0.291	S	S	.	.			trans	-78.5	83.2	169.5	-172.4	-18.7	0	0	0	108.7	Y293 E302 A306 L307 L308	Y293-N304 WeakPolarHBondContact OH-CB 3.27Å; Y293-N304 PolarHBondContact OH-N 2.7Å; E302-N304 PolarHBondContact O-N 3.38Å; N304-A306 PolarHBondContact O-N 2.69Å; N304-A306 PolarHBondContact OD1-N 2.65Å; N304-L307 HydrophobicContact CB-CB 4.01Å; N304-L307 VanDerWaalsContact CG-CB 3.49Å; N304-L307 WeakPolarHBondContact O-CB 3.18Å; N304-L307 PolarHBondContact O-N 3.3Å; N304-L307 PolarHBondContact OD1-N 3.15Å; N304-L308 PolarHBondContact O-N 2.89Å
305	Y	98.3	Very high	97	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.039	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-30	179.8	-53.5	-85.4	0	0	0	112.6	I157 I160 R161 H164 L241 E302 P303 L308 I309	I157-Y305 HydrophobicContact CG2-CD1 4.23Å; I160-Y305 HydrophobicContact CG2-CE1 4.44Å; R161-Y305 HydrophobicContact CB-CD1 3.65Å; R161-Y305 HydrophobicContact CB-CD2 4.08Å; R161-Y305 HydrophobicContact CB-CE1 4.13Å; R161-Y305 HydrophobicContact CB-CG 3.64Å; R161-Y305 HydrophobicContact CG-CD1 4.2Å; R161-Y305 HydrophobicContact CG-CD2 3.68Å; R161-Y305 HydrophobicContact CG-CE2 4.24Å; R161-Y305 HydrophobicContact CG-CG 3.67Å; H164-Y305 AromaticContact ND1-CE1 3.89Å; H164-Y305 AromaticContact ND1-CZ 3.66Å; H164-Y305 PolarHBondContact ND1-OH 2.74Å; L241-Y305 HydrophobicContact CD1-CE1 4.23Å; L241-Y305 HydrophobicContact CD2-CE1 4.44Å; E302-Y305 HydrophobicContact CG-CE2 4.49Å; P303-Y305 VanDerWaalsContact C-N 3.32Å; P303-Y305 HydrophobicContact CB-CD1 4.41Å; P303-Y305 HydrophobicContact CB-CE1 3.98Å; P303-Y305 HydrophobicContact CB-CE2 4.16Å; P303-Y305 WeakPolarHBondContact CD-OH 3.31Å; P303-Y305 HydrophobicContact CG-CE1 4.23Å; P303-Y305 HydrophobicContact CG-CE2 4.5Å; P303-Y305 WeakPolarHBondContact O-CD2 3.1Å; P303-Y305 WeakPolarHBondContact O-CE2 3.43Å; P303-Y305 PolarHBondContact O-N 2.88Å; Y305-L308 PolarHBondContact O-N 3.08Å; Y305-I309 WeakPolarHBondContact O-CB 3.08Å; Y305-I309 VanDerWaalsContact O-CG1 3.28Å; Y305-I309 WeakPolarHBondContact O-CG1 3.47Å; Y305-I309 PolarHBondContact O-N 3.4Å
306	A	98.1	Very high	97	Very high	57 Å²	57	47.7 Å²	47.7	47%	0.471	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-47.5	177.3	0	0	0	0	0	110.8	N304 L308 I309 D310	N304-A306 PolarHBondContact O-N 2.69Å; N304-A306 PolarHBondContact OD1-N 2.65Å; A306-L308 VanDerWaalsContact C-N 3.33Å; A306-L308 PolarHBondContact O-N 3.44Å; A306-I309 PolarHBondContact O-N 2.96Å; A306-D310 WeakPolarHBondContact O-CB 3.12Å; A306-D310 VanDerWaalsContact O-CG 3.26Å; A306-D310 PolarHBondContact O-N 2.73Å
307	L	98.5	Very high	96.9	Very high	67 Å²	67	51 Å²	51	35%	0.351	27%	0.271	S	S	.	.	H	α-helix	trans	-53.3	-51.5	172.4	172.4	67.9	0	0	0	111	Y293 N304 I309 D310 L311	Y293-L307 HydrophobicContact CD2-CD2 3.69Å; Y293-L307 HydrophobicContact CE2-CD2 3.88Å; Y293-L307 HydrophobicContact CG-CD2 4.04Å; N304-L307 HydrophobicContact CB-CB 4.01Å; N304-L307 VanDerWaalsContact CG-CB 3.49Å; N304-L307 WeakPolarHBondContact O-CB 3.18Å; N304-L307 PolarHBondContact O-N 3.3Å; N304-L307 PolarHBondContact OD1-N 3.15Å; L307-I309 VanDerWaalsContact C-N 3.35Å; L307-I309 PolarHBondContact O-N 2.74Å; L307-D310 PolarHBondContact O-N 3.5Å; L307-D310 VanDerWaalsContact O-N 3.15Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.66Å
308	L	98.7	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-45.9	180	-72.5	176.9	0	0	0	111.8	I157 L241 M290 Y293 N304 Y305 A306 D310 L311 F312	I157-L308 HydrophobicContact CD1-CB 4.01Å; I157-L308 HydrophobicContact CG2-CB 4.17Å; L241-L308 HydrophobicContact CD1-CD1 3.82Å; L241-L308 HydrophobicContact CD2-CD1 4.14Å; M290-L308 HydrophobicContact CB-CD2 4.09Å; M290-L308 HydrophobicContact CG-CD2 3.76Å; Y293-L308 HydrophobicContact CD1-CD1 4.33Å; Y293-L308 HydrophobicContact CD1-CD2 3.66Å; Y293-L308 HydrophobicContact CD1-CG 3.99Å; Y293-L308 HydrophobicContact CE1-CD1 4.18Å; Y293-L308 HydrophobicContact CE1-CD2 4.27Å; Y293-L308 HydrophobicContact CE1-CG 4.08Å; N304-L308 PolarHBondContact O-N 2.89Å; Y305-L308 PolarHBondContact O-N 3.08Å; A306-L308 VanDerWaalsContact C-N 3.33Å; A306-L308 PolarHBondContact O-N 3.44Å; L308-D310 VanDerWaalsContact C-N 3.32Å; L308-D310 PolarHBondContact O-N 2.91Å; L308-L311 HydrophobicContact CD2-CD1 4.26Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-F312 VanDerWaalsContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CD2 3.22Å
309	I	98.6	Very high	96.8	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.046	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-43.4	176.4	-72.5	164.9	0	0	0	110.9	V154 I157 E158 Y305 A306 L307 L311 F312 K313	V154-I309 HydrophobicContact CG1-CG2 4.11Å; I157-I309 HydrophobicContact CB-CG1 4.05Å; I157-I309 HydrophobicContact CG2-CD1 4.11Å; I157-I309 HydrophobicContact CG2-CG1 3.67Å; E158-I309 HydrophobicContact CG-CD1 3.76Å; Y305-I309 WeakPolarHBondContact O-CB 3.08Å; Y305-I309 VanDerWaalsContact O-CG1 3.28Å; Y305-I309 WeakPolarHBondContact O-CG1 3.47Å; Y305-I309 PolarHBondContact O-N 3.4Å; A306-I309 PolarHBondContact O-N 2.96Å; L307-I309 VanDerWaalsContact C-N 3.35Å; L307-I309 PolarHBondContact O-N 2.74Å; I309-L311 PolarHBondContact O-N 2.85Å; I309-F312 PolarHBondContact O-N 3.31Å; I309-K313 HydrophobicContact CG2-CD 3.79Å; I309-K313 VanDerWaalsContact CG2-CE 3.44Å; I309-K313 HydrophobicContact CG2-CG 4.27Å; I309-K313 WeakPolarHBondContact O-CG 3.34Å; I309-K313 PolarHBondContact O-N 2.67Å
310	D	98.4	Very high	96.8	Very high	73 Å²	73	55 Å²	55	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-35.9	-177.6	-72.5	-16.6	0	0	0	112.3	A306 L307 L308 F312 K313 Q314	A306-D310 WeakPolarHBondContact O-CB 3.12Å; A306-D310 VanDerWaalsContact O-CG 3.26Å; A306-D310 PolarHBondContact O-N 2.73Å; L307-D310 PolarHBondContact O-N 3.5Å; L307-D310 VanDerWaalsContact O-N 3.15Å; L308-D310 VanDerWaalsContact C-N 3.32Å; L308-D310 PolarHBondContact O-N 2.91Å; D310-F312 VanDerWaalsContact C-N 3.31Å; D310-F312 PolarHBondContact O-N 3.45Å; D310-K313 PolarHBondContact O-N 2.97Å; D310-Q314 WeakPolarHBondContact O-CB 3.46Å; D310-Q314 VanDerWaalsContact O-CG 3.25Å; D310-Q314 WeakPolarHBondContact O-CG 3.23Å; D310-Q314 PolarHBondContact O-N 2.87Å
311	L	98.5	Very high	96.9	Very high	22 Å²	22	53 Å²	53	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-53.9	-47.6	173.1	-70.1	176.2	0	0	0	111.7	A286 D289 M290 L307 L308 I309 T315	A286-L311 HydrophobicContact CB-CB 4.21Å; A286-L311 WeakPolarHBondContact CB-O 3.37Å; D289-L311 HydrophobicContact CB-CD1 3.77Å; D289-L311 HydrophobicContact CB-CD2 3.65Å; D289-L311 HydrophobicContact CB-CG 4.32Å; M290-L311 HydrophobicContact CB-CD1 4.48Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.66Å; L308-L311 HydrophobicContact CD2-CD1 4.26Å; L308-L311 PolarHBondContact O-N 3.47Å; I309-L311 PolarHBondContact O-N 2.85Å; L311-T315 WeakPolarHBondContact O-CB 3.46Å; L311-T315 PolarHBondContact O-N 3.17Å; L311-T315 PolarHBondContact O-OG1 2.93Å
312	F	98.4	Very high	96.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.7	-41.3	178.8	-73.3	-87.5	0	0	0	112	H150 A153 V154 I157 I248 A286 V287 M290 L308 I309 D310 T315 M316	H150-F312 HydrophobicContact CB-CD1 4.28Å; H150-F312 AromaticContact ND1-CD1 3.39Å; H150-F312 WeakPolarHBondContact ND1-CD1 3.15Å; H150-F312 AromaticContact ND1-CE1 3.98Å; A153-F312 HydrophobicContact CB-CD1 3.58Å; A153-F312 HydrophobicContact CB-CD2 4.28Å; A153-F312 HydrophobicContact CB-CE1 3.51Å; A153-F312 HydrophobicContact CB-CE2 4.23Å; A153-F312 HydrophobicContact CB-CG 4.01Å; A153-F312 HydrophobicContact CB-CZ 3.89Å; V154-F312 HydrophobicContact CG2-CB 3.72Å; I157-F312 HydrophobicContact CD1-CD2 3.8Å; I157-F312 HydrophobicContact CD1-CE2 3.92Å; I248-F312 HydrophobicContact CD1-CE1 4.34Å; I248-F312 HydrophobicContact CD1-CE2 4.44Å; I248-F312 HydrophobicContact CD1-CZ 3.76Å; I248-F312 HydrophobicContact CG2-CE1 4.47Å; A286-F312 HydrophobicContact CB-CD1 3.9Å; A286-F312 HydrophobicContact CB-CD2 4.37Å; A286-F312 HydrophobicContact CB-CE1 4Å; A286-F312 HydrophobicContact CB-CE2 4.46Å; A286-F312 HydrophobicContact CB-CG 4.06Å; A286-F312 HydrophobicContact CB-CZ 4.26Å; V287-F312 HydrophobicContact CG2-CE1 4.29Å; V287-F312 HydrophobicContact CG2-CZ 4.5Å; M290-F312 HydrophobicContact SD-CE2 3.9Å; M290-F312 HydrophobicContact SD-CZ 4.01Å; L308-F312 VanDerWaalsContact O-CD2 3.27Å; L308-F312 WeakPolarHBondContact O-CD2 3.22Å; I309-F312 PolarHBondContact O-N 3.31Å; D310-F312 VanDerWaalsContact C-N 3.31Å; D310-F312 PolarHBondContact O-N 3.45Å; F312-T315 PolarHBondContact O-N 2.79Å; F312-M316 VanDerWaalsContact O-CG 3.27Å; F312-M316 WeakPolarHBondContact O-CG 3.13Å; F312-M316 PolarHBondContact O-N 3.41Å
313	K	97.9	Very high	96.7	Very high	88 Å²	88	56.7 Å²	56.7	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-41.5	178.3	-73.9	-179.8	177.1	171.1	0	113.1	V154 I309 D310 M316 Q317	V154-K313 HydrophobicContact CG2-CG 4.28Å; I309-K313 HydrophobicContact CG2-CD 3.79Å; I309-K313 VanDerWaalsContact CG2-CE 3.44Å; I309-K313 HydrophobicContact CG2-CG 4.27Å; I309-K313 WeakPolarHBondContact O-CG 3.34Å; I309-K313 PolarHBondContact O-N 2.67Å; D310-K313 PolarHBondContact O-N 2.97Å; K313-M316 WeakPolarHBondContact O-CB 3.38Å; K313-M316 PolarHBondContact O-N 2.94Å; K313-Q317 PolarHBondContact O-N 3.4Å
314	Q	97.4	Very high	96.4	Very high	124 Å²	124	62.4 Å²	62.4	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-40.5	176.6	-71.1	174.6	15.2	0	0	111.4	D310 M316 Q317 A318	D310-Q314 WeakPolarHBondContact O-CB 3.46Å; D310-Q314 VanDerWaalsContact O-CG 3.25Å; D310-Q314 WeakPolarHBondContact O-CG 3.23Å; D310-Q314 PolarHBondContact O-N 2.87Å; Q314-M316 VanDerWaalsContact C-N 3.33Å; Q314-M316 PolarHBondContact O-N 2.91Å; Q314-Q317 PolarHBondContact O-N 2.88Å; Q314-A318 PolarHBondContact O-N 3.47Å
315	T	96	Very high	96.2	Very high	8 Å²	8	61 Å²	61	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-40.7	175	-58.1	0	0	0	0	111	H150 P284 S285 A286 L311 F312 Q317 A318 E319	H150-T315 VanDerWaalsContact CE1-CG2 3.5Å; H150-T315 WeakPolarHBondContact CE1-CG2 3.14Å; P284-T315 HydrophobicContact CB-CG2 4.1Å; S285-T315 PolarHBondContact OG-OG1 3.28Å; A286-T315 HydrophobicContact CB-CG2 4.49Å; A286-T315 WeakPolarHBondContact CB-OG1 3.45Å; A286-T315 PolarHBondContact N-OG1 2.76Å; L311-T315 WeakPolarHBondContact O-CB 3.46Å; L311-T315 PolarHBondContact O-N 3.17Å; L311-T315 PolarHBondContact O-OG1 2.93Å; F312-T315 PolarHBondContact O-N 2.79Å; T315-Q317 VanDerWaalsContact C-N 3.34Å; T315-Q317 PolarHBondContact O-N 2.92Å; T315-A318 PolarHBondContact O-N 2.85Å; T315-E319 HydrophobicContact CG2-CG 4.36Å; T315-E319 WeakPolarHBondContact O-CB 3.32Å; T315-E319 WeakPolarHBondContact O-CG 3.35Å; T315-E319 PolarHBondContact O-N 3.32Å
316	M	96.5	Very high	95.9	Very high	7 Å²	7	63 Å²	63	3%	0.034	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-44.9	173.3	-72.9	164.9	51.7	0	0	112.1	H150 R151 F312 K313 Q314 E319 G320 V321 E323	H150-M316 HydrophobicContact CB-CG 3.41Å; H150-M316 VanDerWaalsContact CB-CG 3.41Å; H150-M316 HydrophobicContact CB-SD 3.72Å; R151-M316 HydrophobicContact CG-CE 3.53Å; R151-M316 HydrophobicContact CG-SD 3.89Å; F312-M316 VanDerWaalsContact O-CG 3.27Å; F312-M316 WeakPolarHBondContact O-CG 3.13Å; F312-M316 PolarHBondContact O-N 3.41Å; K313-M316 WeakPolarHBondContact O-CB 3.38Å; K313-M316 PolarHBondContact O-N 2.94Å; Q314-M316 VanDerWaalsContact C-N 3.33Å; Q314-M316 PolarHBondContact O-N 2.91Å; M316-E319 PolarHBondContact O-N 2.65Å; M316-G320 PolarHBondContact O-N 3.43Å; M316-V321 HydrophobicContact CB-CB 3.93Å; M316-V321 HydrophobicContact CB-CG1 4.28Å; M316-V321 HydrophobicContact CE-CG1 4.29Å; M316-V321 HydrophobicContact CG-CB 4.07Å; M316-V321 HydrophobicContact CG-CG1 3.98Å; M316-V321 PolarHBondContact O-N 3.18Å; M316-E323 WeakPolarHBondContact CE-OE1 2.91Å
317	Q	96	Very high	95.7	Very high	161 Å²	161	60.8 Å²	60.8	75%	0.752	32%	0.32	S	S	*	.	H	α-helix	trans	-62.4	-45.4	177.8	-175	179	4.1	0	0	111.8	K313 Q314 T315 E319 G320	K313-Q317 PolarHBondContact O-N 3.4Å; Q314-Q317 PolarHBondContact O-N 2.88Å; T315-Q317 VanDerWaalsContact C-N 3.34Å; T315-Q317 PolarHBondContact O-N 2.92Å; Q317-E319 VanDerWaalsContact C-N 3.33Å; Q317-E319 PolarHBondContact O-N 3.44Å; Q317-G320 PolarHBondContact O-N 2.82Å
318	A	95.3	Very high	95.5	Very high	90 Å²	90	57.6 Å²	57.6	74%	0.744	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-36.1	179.3	0	0	0	0	0	112.7	Q314 T315 G320	Q314-A318 PolarHBondContact O-N 3.47Å; T315-A318 PolarHBondContact O-N 2.85Å; A318-G320 VanDerWaalsContact C-N 3.34Å
319	E	92.9	Very high	95.1	Very high	91 Å²	91	57.6 Å²	57.6	43%	0.425	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.4	178.4	-65.8	-173.1	178.3	0	0	113.6	H150 T315 M316 Q317 V321	H150-E319 IonicContact NE2-OE2 2.83Å; T315-E319 HydrophobicContact CG2-CG 4.36Å; T315-E319 WeakPolarHBondContact O-CB 3.32Å; T315-E319 WeakPolarHBondContact O-CG 3.35Å; T315-E319 PolarHBondContact O-N 3.32Å; M316-E319 PolarHBondContact O-N 2.65Å; Q317-E319 VanDerWaalsContact C-N 3.33Å; Q317-E319 PolarHBondContact O-N 3.44Å; E319-V321 VanDerWaalsContact C-N 3.26Å; E319-V321 HydrophobicContact CB-CG2 4.1Å; E319-V321 PolarHBondContact O-N 2.8Å
320	G	94.6	Very high	94.6	Very high	50 Å²	50	57.4 Å²	57.4	52%	0.515	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	21.4	-178.3	0	0	0	0	0	114.3	M316 Q317 A318	M316-G320 PolarHBondContact O-N 3.43Å; Q317-G320 PolarHBondContact O-N 2.82Å; A318-G320 VanDerWaalsContact C-N 3.34Å
321	V	95.3	Very high	94	Very high	22 Å²	22	55.1 Å²	55.1	13%	0.133	29%	0.288	C	S	.	.			trans	-72.8	128	174.8	174.3	0	0	0	0	109.4	S147 M316 E319	S147-V321 WeakPolarHBondContact OG-CG1 3.26Å; M316-V321 HydrophobicContact CB-CB 3.93Å; M316-V321 HydrophobicContact CB-CG1 4.28Å; M316-V321 HydrophobicContact CE-CG1 4.29Å; M316-V321 HydrophobicContact CG-CB 4.07Å; M316-V321 HydrophobicContact CG-CG1 3.98Å; M316-V321 PolarHBondContact O-N 3.18Å; E319-V321 VanDerWaalsContact C-N 3.26Å; E319-V321 HydrophobicContact CB-CG2 4.1Å; E319-V321 PolarHBondContact O-N 2.8Å
322	K	93.9	Very high	92.7	Very high	117 Å²	117	55.7 Å²	55.7	51%	0.509	29%	0.294	S	S	.	.			trans	-106.3	147.4	-179.2	-51.4	178.7	-177.5	175.7	0	110.9	Q324 D325	K322-Q324 HydrophobicContact CB-CG 4.33Å; K322-Q324 PolarHBondContact O-N 3.25Å; K322-D325 PolarHBondContact N-OD2 2.99Å; K322-D325 VanDerWaalsContact O-CB 3.27Å; K322-D325 WeakPolarHBondContact O-CB 3.19Å; K322-D325 VanDerWaalsContact O-CG 3.3Å; K322-D325 PolarHBondContact O-N 3.36Å
323	E	91.3	Very high	91.2	Very high	110 Å²	110	57.6 Å²	57.6	51%	0.514	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.4	177.5	-71.5	-63.9	167.3	0	0	112.7	M316 D325	M316-E323 WeakPolarHBondContact CE-OE1 2.91Å; E323-D325 VanDerWaalsContact C-N 3.31Å; E323-D325 PolarHBondContact O-N 2.87Å
324	Q	91.4	Very high	90	Very high	123 Å²	123	58.3 Å²	58.3	58%	0.575	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-11	-179.3	67	-88.8	26.5	0	0	114.7	R189 K322	R189-Q324 PolarHBondContact NH1-O 2.85Å; R189-Q324 VanDerWaalsContact NH1-O 3.16Å; R189-Q324 PolarHBondContact NH2-O 3.17Å; K322-Q324 HydrophobicContact CB-CG 4.33Å; K322-Q324 PolarHBondContact O-N 3.25Å
325	D	93.3	Very high	89	Confident	52 Å²	52	56.6 Å²	56.6	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	-52.5	143.5	-179.6	-73	-16.7	0	0	0	110.3	R151 K322 E323 Y327	R151-D325 PolarHBondContact NH1-O 3.36Å; R151-D325 PolarHBondContact NH2-O 3.36Å; K322-D325 PolarHBondContact N-OD2 2.99Å; K322-D325 VanDerWaalsContact O-CB 3.27Å; K322-D325 WeakPolarHBondContact O-CB 3.19Å; K322-D325 VanDerWaalsContact O-CG 3.3Å; K322-D325 PolarHBondContact O-N 3.36Å; E323-D325 VanDerWaalsContact C-N 3.31Å; E323-D325 PolarHBondContact O-N 2.87Å; D325-Y327 PolarHBondContact O-N 2.75Å
326	D	92.7	Very high	87.9	Confident	53 Å²	53	56.2 Å²	56.2	28%	0.283	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66	133.3	176.8	-72.4	-31	0	0	0	109.8	R151 K185 R189 E330 K331	R151-D326 PolarHBondContact NH2-O 3.06Å; K185-D326 WeakPolarHBondContact CE-OD1 2.98Å; K185-D326 IonicContact NZ-OD1 3.18Å; K185-D326 PolarHBondContact NZ-OD1 2.96Å; R189-D326 IonicContact NH2-OD1 3.18Å; R189-D326 PolarHBondContact NH2-OD1 3.41Å; D326-E330 WeakPolarHBondContact CA-OE2 3.36Å; D326-E330 HydrophobicContact CB-CB 4.12Å; D326-K331 HydrophobicContact CB-CG 4.17Å; D326-K331 WeakPolarHBondContact O-CE 3.26Å; D326-K331 PolarHBondContact O-NZ 3.11Å; D326-K331 VanDerWaalsContact O-NZ 3.16Å
327	Y	94.5	Very high	86.7	Confident	10 Å²	10	62.5 Å²	62.5	4%	0.039	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.5	157.8	166.7	-72.5	-86.1	0	0	0	109.9	T148 R151 V152 Q155 R189 D325 W329 E330	T148-Y327 HydrophobicContact CG2-CD1 4.02Å; R151-Y327 HydrophobicContact CB-CE1 3.84Å; R151-Y327 WeakPolarHBondContact CB-OH 3.44Å; R151-Y327 VanDerWaalsContact NH1-CE2 3.31Å; V152-Y327 HydrophobicContact CG2-CD1 4.32Å; V152-Y327 HydrophobicContact CG2-CE1 3.95Å; Q155-Y327 PolarHBondContact NE2-OH 3.42Å; R189-Y327 HydrophobicContact CB-CD2 4.28Å; R189-Y327 HydrophobicContact CB-CE2 3.83Å; R189-Y327 HydrophobicContact CG-CD2 3.8Å; R189-Y327 HydrophobicContact CG-CE2 3.79Å; D325-Y327 PolarHBondContact O-N 2.75Å; Y327-W329 VanDerWaalsContact CB-CE2 3.41Å; Y327-W329 AromaticContact CD1-CH2 3.3Å; Y327-W329 HydrophobicContact CD1-CH2 3.3Å; Y327-W329 AromaticContact CD1-CZ2 3.43Å; Y327-W329 HydrophobicContact CD1-CZ2 3.43Å; Y327-W329 VanDerWaalsContact CD1-CZ2 3.43Å; Y327-W329 HydrophobicContact CD1-CZ3 4.01Å; Y327-W329 AromaticContact CD2-CZ2 4Å; Y327-W329 HydrophobicContact CD2-CZ2 4Å; Y327-W329 AromaticContact CE1-CH2 3.91Å; Y327-W329 HydrophobicContact CE1-CH2 3.91Å; Y327-W329 HydrophobicContact CE1-CZ2 4.06Å; Y327-W329 HydrophobicContact CG-CD2 4.48Å; Y327-W329 AromaticContact CG-CE2 3.78Å; Y327-W329 AromaticContact CG-CH2 3.75Å; Y327-W329 HydrophobicContact CG-CH2 3.75Å; Y327-W329 AromaticContact CG-CZ2 3.37Å; Y327-W329 HydrophobicContact CG-CZ2 3.37Å; Y327-W329 HydrophobicContact CG-CZ3 4.43Å; Y327-W329 PolarHBondContact O-N 3.19Å; Y327-W329 VanDerWaalsContact O-N 3.15Å; Y327-E330 WeakPolarHBondContact CD2-OE2 3.38Å; Y327-E330 PolarHBondContact N-OE2 2.93Å; Y327-E330 WeakPolarHBondContact O-CB 3.28Å; Y327-E330 PolarHBondContact O-N 2.9Å
328	D	93.5	Very high	85.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60.4	-30.2	-176.9	-71.3	-3.8	0	0	0	113.3	F144 T145 T148 E330 K331 L336	F144-D328 WeakPolarHBondContact CA-OD2 3.33Å; F144-D328 HydrophobicContact CD1-CB 4.07Å; T145-D328 WeakPolarHBondContact CG2-OD1 3.25Å; T145-D328 PolarHBondContact N-OD2 2.92Å; T145-D328 PolarHBondContact OG1-OD1 3.35Å; T145-D328 PolarHBondContact OG1-OD2 3.01Å; T148-D328 PolarHBondContact OG1-N 3.13Å; T148-D328 PolarHBondContact OG1-OD1 2.71Å; D328-E330 VanDerWaalsContact C-N 3.27Å; D328-E330 PolarHBondContact O-N 2.85Å; D328-K331 PolarHBondContact O-N 2.89Å; D328-K331 IonicContact OD1-NZ 3.11Å; D328-K331 PolarHBondContact OD1-NZ 3.02Å; D328-L336 HydrophobicContact CB-CD2 3.74Å
329	W	90	Very high	84.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-75.9	-10.9	175.8	55.8	84	0	0	0	114.8	V8 L132 L135 F144 T148 V152 I180 I188 Y327	V8-W329 HydrophobicContact CB-CB 4.03Å; V8-W329 HydrophobicContact CG1-CB 4.03Å; L132-W329 HydrophobicContact CD2-CH2 4.33Å; L132-W329 HydrophobicContact CD2-CZ3 4.24Å; L135-W329 HydrophobicContact CB-CE3 4.5Å; L135-W329 HydrophobicContact CD1-CD2 4.02Å; L135-W329 HydrophobicContact CD1-CE3 3.95Å; L135-W329 HydrophobicContact CD1-CG 4.33Å; L135-W329 HydrophobicContact CD1-CZ3 4.45Å; L135-W329 HydrophobicContact CD2-CB 3.82Å; L135-W329 HydrophobicContact CD2-CG 4.34Å; F144-W329 HydrophobicContact CE1-CE3 4.19Å; F144-W329 HydrophobicContact CE1-CZ3 4.38Å; F144-W329 HydrophobicContact CZ-CE3 4.29Å; F144-W329 HydrophobicContact CZ-CZ3 4.17Å; T148-W329 HydrophobicContact CG2-CE3 4.44Å; T148-W329 HydrophobicContact CG2-CH2 4.3Å; T148-W329 HydrophobicContact CG2-CZ3 3.71Å; V152-W329 HydrophobicContact CG2-CH2 3.65Å; V152-W329 HydrophobicContact CG2-CZ3 4.17Å; I180-W329 HydrophobicContact CG2-CH2 4.29Å; I180-W329 HydrophobicContact CG2-CZ2 3.8Å; I188-W329 PolarHBondContact O-NE1 2.57Å; I188-W329 VanDerWaalsContact O-NE1 3.08Å; Y327-W329 VanDerWaalsContact CB-CE2 3.41Å; Y327-W329 AromaticContact CD1-CH2 3.3Å; Y327-W329 HydrophobicContact CD1-CH2 3.3Å; Y327-W329 AromaticContact CD1-CZ2 3.43Å; Y327-W329 HydrophobicContact CD1-CZ2 3.43Å; Y327-W329 VanDerWaalsContact CD1-CZ2 3.43Å; Y327-W329 HydrophobicContact CD1-CZ3 4.01Å; Y327-W329 AromaticContact CD2-CZ2 4Å; Y327-W329 HydrophobicContact CD2-CZ2 4Å; Y327-W329 AromaticContact CE1-CH2 3.91Å; Y327-W329 HydrophobicContact CE1-CH2 3.91Å; Y327-W329 HydrophobicContact CE1-CZ2 4.06Å; Y327-W329 HydrophobicContact CG-CD2 4.48Å; Y327-W329 AromaticContact CG-CE2 3.78Å; Y327-W329 AromaticContact CG-CH2 3.75Å; Y327-W329 HydrophobicContact CG-CH2 3.75Å; Y327-W329 AromaticContact CG-CZ2 3.37Å; Y327-W329 HydrophobicContact CG-CZ2 3.37Å; Y327-W329 HydrophobicContact CG-CZ3 4.43Å; Y327-W329 PolarHBondContact O-N 3.19Å; Y327-W329 VanDerWaalsContact O-N 3.15Å
330	E	89.9	Confident	82.6	Confident	5 Å²	5	67.7 Å²	67.7	2%	0.023	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-91.6	-5.6	172	-57.8	-179.5	101.3	0	0	112.1	G5 F6 K185 I188 R189 D326 Y327 D328	G5-E330 CarbonylContact C-O 3.1Å; G5-E330 WeakPolarHBondContact CA-O 3.14Å; G5-E330 CarbonylContact O-C 3.36Å; F6-E330 HydrophobicContact CE1-CG 4.39Å; K185-E330 WeakPolarHBondContact CE-OE1 3.19Å; K185-E330 WeakPolarHBondContact CG-OE1 3.13Å; I188-E330 HydrophobicContact CD1-CG 3.98Å; R189-E330 IonicContact CZ-OE1 3.44Å; R189-E330 IonicContact CZ-OE2 3.64Å; R189-E330 IonicContact NE-OE1 3.17Å; R189-E330 PolarHBondContact NE-OE1 3.12Å; R189-E330 IonicContact NE-OE2 2.86Å; R189-E330 PolarHBondContact NE-OE2 3.08Å; R189-E330 IonicContact NH2-OE1 3.01Å; R189-E330 PolarHBondContact NH2-OE1 2.84Å; R189-E330 IonicContact NH2-OE2 3.48Å; R189-E330 PolarHBondContact NH2-OE2 3.24Å; D326-E330 WeakPolarHBondContact CA-OE2 3.36Å; D326-E330 HydrophobicContact CB-CB 4.12Å; Y327-E330 WeakPolarHBondContact CD2-OE2 3.38Å; Y327-E330 PolarHBondContact N-OE2 2.93Å; Y327-E330 WeakPolarHBondContact O-CB 3.28Å; Y327-E330 PolarHBondContact O-N 2.9Å; D328-E330 VanDerWaalsContact C-N 3.27Å; D328-E330 PolarHBondContact O-N 2.85Å
331	K	84.4	Confident	81	Confident	24 Å²	24	68.2 Å²	68.2	10%	0.104	32%	0.32	C	S	.	.	S	Bend	trans	-93	154.8	-178.3	-66.3	174.6	-171.3	159.8	0	111.6	Y7 D326 D328 E335 L336 L339	Y7-K331 PolarHBondContact N-O 3.07Å; D326-K331 HydrophobicContact CB-CG 4.17Å; D326-K331 WeakPolarHBondContact O-CE 3.26Å; D326-K331 PolarHBondContact O-NZ 3.11Å; D326-K331 VanDerWaalsContact O-NZ 3.16Å; D328-K331 PolarHBondContact O-N 2.89Å; D328-K331 IonicContact OD1-NZ 3.11Å; D328-K331 PolarHBondContact OD1-NZ 3.02Å; K331-E335 HydrophobicContact CB-CB 4.03Å; K331-E335 HydrophobicContact CG-CB 4.46Å; K331-L336 HydrophobicContact CB-CD2 4.03Å; K331-L336 HydrophobicContact CB-CG 3.9Å; K331-L336 HydrophobicContact CD-CD2 4.12Å; K331-L339 HydrophobicContact CD-CD1 3.68Å
332	S	71.3	Confident	79.1	Confident	34 Å²	34	68.9 Å²	68.9	24%	0.238	33%	0.325	C	S	.	.			trans	-73.6	162.6	165	65.8	0	0	0	0	111	D334 E335 L336	S332-D334 VanDerWaalsContact C-N 3.26Å; S332-D334 PolarHBondContact O-N 2.87Å; S332-E335 VanDerWaalsContact CB-OE2 3.26Å; S332-E335 WeakPolarHBondContact CB-OE2 3.33Å; S332-E335 PolarHBondContact N-OE2 2.83Å; S332-E335 PolarHBondContact O-N 2.83Å; S332-E335 VanDerWaalsContact OG-CD 3.26Å; S332-E335 VanDerWaalsContact OG-CG 3.29Å; S332-E335 WeakPolarHBondContact OG-CG 3.14Å; S332-E335 PolarHBondContact OG-N 2.85Å; S332-E335 PolarHBondContact OG-OE2 3.24Å; S332-L336 WeakPolarHBondContact O-CG 3.27Å; S332-L336 PolarHBondContact O-N 3.02Å
333	L	66.6	Low	76.8	Confident	40 Å²	40	67 Å²	67	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-37.2	177	-174.9	64.3	0	0	0	112.1	Y7 P140 L336 K337	Y7-L333 HydrophobicContact CD1-CB 3.98Å; Y7-L333 HydrophobicContact CD1-CD1 4.17Å; Y7-L333 HydrophobicContact CD2-CB 3.76Å; Y7-L333 HydrophobicContact CE1-CB 4.09Å; Y7-L333 HydrophobicContact CE1-CD1 3.71Å; Y7-L333 HydrophobicContact CE1-CD2 4.37Å; Y7-L333 HydrophobicContact CE1-CG 4.26Å; Y7-L333 HydrophobicContact CE2-CB 3.85Å; Y7-L333 HydrophobicContact CE2-CD2 3.96Å; Y7-L333 HydrophobicContact CE2-CG 4.36Å; Y7-L333 HydrophobicContact CG-CB 3.81Å; P140-L333 HydrophobicContact CG-CD1 4.08Å; L333-L336 PolarHBondContact O-N 3.33Å; L333-K337 HydrophobicContact CG-CD 4.31Å; L333-K337 WeakPolarHBondContact O-CG 3.36Å; L333-K337 PolarHBondContact O-N 3.41Å
334	D	73	Confident	74.5	Confident	103 Å²	103	70.4 Å²	70.4	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-68.8	-36.7	-180	-63.6	-29.8	0	0	0	111.9	S332 K338	S332-D334 VanDerWaalsContact C-N 3.26Å; S332-D334 PolarHBondContact O-N 2.87Å; D334-K338 VanDerWaalsContact O-CG 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.44Å; D334-K338 PolarHBondContact O-N 2.91Å
335	E	75.6	Confident	71.8	Confident	88 Å²	88	74.5 Å²	74.5	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-44.5	171.1	-73.1	163	138.9	0	0	110.8	K331 S332 K337 K338 L339	K331-E335 HydrophobicContact CB-CB 4.03Å; K331-E335 HydrophobicContact CG-CB 4.46Å; S332-E335 VanDerWaalsContact CB-OE2 3.26Å; S332-E335 WeakPolarHBondContact CB-OE2 3.33Å; S332-E335 PolarHBondContact N-OE2 2.83Å; S332-E335 PolarHBondContact O-N 2.83Å; S332-E335 VanDerWaalsContact OG-CD 3.26Å; S332-E335 VanDerWaalsContact OG-CG 3.29Å; S332-E335 WeakPolarHBondContact OG-CG 3.14Å; S332-E335 PolarHBondContact OG-N 2.85Å; S332-E335 PolarHBondContact OG-OE2 3.24Å; E335-K337 VanDerWaalsContact C-N 3.34Å; E335-K337 PolarHBondContact O-N 2.65Å; E335-K338 PolarHBondContact O-N 3.03Å; E335-L339 WeakPolarHBondContact O-CG 3.38Å; E335-L339 PolarHBondContact O-N 3.22Å
336	L	73.9	Confident	69	Low	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-33.7	178.7	-71.4	171.4	0	0	0	113.5	V8 P140 D328 K331 S332 L333	V8-L336 HydrophobicContact CG2-CD1 4.19Å; P140-L336 HydrophobicContact CG-CB 4.16Å; D328-L336 HydrophobicContact CB-CD2 3.74Å; K331-L336 HydrophobicContact CB-CD2 4.03Å; K331-L336 HydrophobicContact CB-CG 3.9Å; K331-L336 HydrophobicContact CD-CD2 4.12Å; S332-L336 WeakPolarHBondContact O-CG 3.27Å; S332-L336 PolarHBondContact O-N 3.02Å; L333-L336 PolarHBondContact O-N 3.33Å
337	K	71.9	Confident	66.2	Low	139 Å²	139	80.5 Å²	80.5	60%	0.604	40%	0.397	S	S	*	.	H	α-helix	trans	-72.2	-27.3	177.8	-76.8	175.5	177.7	176.2	0	113.3	L333 E335	L333-K337 HydrophobicContact CG-CD 4.31Å; L333-K337 WeakPolarHBondContact O-CG 3.36Å; L333-K337 PolarHBondContact O-N 3.41Å; E335-K337 VanDerWaalsContact C-N 3.34Å; E335-K337 PolarHBondContact O-N 2.65Å
338	K	73.6	Confident	63.2	Low	177 Å²	177	83.9 Å²	83.9	77%	0.77	42%	0.422	S	S	*	.	H	α-helix	trans	-82.5	-19.1	-179.1	-71.5	173.2	-176.2	-178.5	0	113.6	D334 E335	D334-K338 VanDerWaalsContact O-CG 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.44Å; D334-K338 PolarHBondContact O-N 2.91Å; E335-K338 PolarHBondContact O-N 3.03Å
339	L	68.6	Low	60.3	Low	67 Å²	67	92 Å²	92	35%	0.351	47%	0.466	S	S	.	.	S	Bend	trans	-76	130.7	-176	-71.5	165	0	0	0	110.9	T145 K331 E335 R341	T145-L339 HydrophobicContact CG2-CB 4.11Å; T145-L339 HydrophobicContact CG2-CD1 4.03Å; K331-L339 HydrophobicContact CD-CD1 3.68Å; E335-L339 WeakPolarHBondContact O-CG 3.38Å; E335-L339 PolarHBondContact O-N 3.22Å; L339-R341 PolarHBondContact O-N 3.4Å
340	K	54.5	Low	57.5	Low	207 Å²	207	96.8 Å²	96.8	90%	0.9	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-57.5	122.3	168.6	-77.1	-174.5	178.1	-179.9	0	108.1
341	R	62.2	Low	54.7	Low	62 Å²	62	105.5 Å²	105.5	23%	0.234	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-102.2	155.6	171.4	-74.9	-175.2	165.6	134.3	-6	109.4	P140 L339 S343	P140-R341 VanDerWaalsContact C-NH1 3.26Å; P140-R341 VanDerWaalsContact CG-NH1 3.26Å; P140-R341 VanDerWaalsContact CG-NH2 3.3Å; P140-R341 PolarHBondContact O-NE 2.99Å; P140-R341 PolarHBondContact O-NH1 3.19Å; P140-R341 PolarHBondContact O-NH2 2.95Å; L339-R341 PolarHBondContact O-N 3.4Å; R341-S343 PolarHBondContact O-N 3.47Å
342	P	54.2	Low	52.2	Low	35 Å²	35	109.9 Å²	109.9	23%	0.227	57%	0.573	C	S	.	*			trans	-48.8	115.1	166.2	2.6	-8	0	0	0	108	F146 I252 K344	F146-P342 HydrophobicContact CD1-CG 4.45Å; F146-P342 HydrophobicContact CE1-CB 4.15Å; F146-P342 HydrophobicContact CE1-CG 3.74Å; F146-P342 HydrophobicContact CE2-CB 4.23Å; F146-P342 HydrophobicContact CE2-CG 4.18Å; F146-P342 HydrophobicContact CZ-CB 3.59Å; F146-P342 HydrophobicContact CZ-CG 3.59Å; I252-P342 HydrophobicContact CG2-CB 4.28Å; I252-P342 HydrophobicContact CG2-CG 3.69Å; P342-K344 PolarHBondContact O-N 2.98Å
343	S	45.6	Very low	50.2	Low	78 Å²	78	113.9 Å²	113.9	55%	0.545	60%	0.601	S	S	.	*			trans	-58.4	133.3	175.6	53.6	0	0	0	0	107.1	R341 R345	R341-S343 PolarHBondContact O-N 3.47Å; S343-R345 PolarHBondContact O-N 2.92Å
344	K	44.5	Very low	48.9	Very low	181 Å²	181	123.8 Å²	123.8	79%	0.787	65%	0.652	S	S	*	*			trans	-59.1	91.8	151.8	-73.1	-175.6	178.2	-177.2	0	105.3	P342 N346	P342-K344 PolarHBondContact O-N 2.98Å; K344-N346 PolarHBondContact O-N 2.79Å
345	R	35.2	Very low	47.7	Very low	210 Å²	210	124.8 Å²	124.8	79%	0.792	66%	0.657	S	S	*	*			trans	-65.7	98	158.3	-81.8	-172.5	-178.4	-178.1	0.3	103.3	S343 A347	S343-R345 PolarHBondContact O-N 2.92Å; R345-A347 PolarHBondContact O-N 3.25Å; R345-A347 VanDerWaalsContact O-N 3.13Å
346	N	33.1	Very low	46.3	Very low	119 Å²	119	126.7 Å²	126.7	64%	0.636	67%	0.67	S	S	*	*			trans	-53.9	121.3	169.6	-72.7	-23.2	0	0	0	105.8	K344 S348	K344-N346 PolarHBondContact O-N 2.79Å; N346-S348 PolarHBondContact O-N 2.82Å
347	A	34.2	Very low	44.7	Very low	111 Å²	111	133.8 Å²	133.8	92%	0.917	71%	0.707	S	S	*	*	S	Bend	trans	-68.4	76.5	165.6	0	0	0	0	0	107.3	R345	R345-A347 PolarHBondContact O-N 3.25Å; R345-A347 VanDerWaalsContact O-N 3.13Å
348	S	32	Very low	43.1	Very low	81 Å²	81	133.5 Å²	133.5	57%	0.566	71%	0.713	S	S	*	*			trans	-148.4	56.8	174	65.5	0	0	0	0	108.3	N346	N346-S348 PolarHBondContact O-N 2.82Å
349	D	32.3	Very low	41.2	Very low	170 Å²	170	130.8 Å²	130.8	91%	0.909	71%	0.709	S	S	*	*			trans	-150.4	60.9	163.8	-84.3	-32.9	0	0	0	107.8
350	S	31.3	Very low	39.4	Very low	101 Å²	101	135 Å²	135	71%	0.706	73%	0.733	S	S	*	*			trans	-148.4	52.5	167.8	69.8	0	0	0	0	110.5
351	H	31.5	Very low	38.3	Very low	189 Å²	189	129.9 Å²	129.9	88%	0.875	72%	0.721	S	S	*	*			trans	-152.4	87.6	162	-83.7	-47.9	0	0	0	109.3
352	S	30.9	Very low	36.5	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	76%	0.759	S	S	*	*			trans	173.3	72.1	152.9	41.6	0	0	0	0	111.4
353	S	29.1	Very low	35	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	80%	0.803	S	S	*	*			trans	-163.8	91.3	149.9	-16.4	0	0	0	0	110.3
354	I	41	Very low	34.1	Very low	247 Å²	247	149.4 Å²	149.4	100%	1.267	83%	0.827	S	S	*	*			trans	169.5	0	140.2	-78.8	157	0	0	0	103.4

Retrieved 354 of 354 residues in 345.4 ms (Link to these results)

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