A0A087Y8Z7_POEFO Loading...

Testin

AlphaFold DB , UniProt , Accession A0A087Y8Z7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 521 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	40.1	Very low	39.7	Very low	224 Å²	224	168.7 Å²	168.7	100%	1.103	82%	0.815	S	S	*	*				0	71.2	0	-52.5	-179.7	-131.1	0	0	110
2	E	39.6	Very low	39.8	Very low	169 Å²	169	162.5 Å²	162.5	79%	0.79	79%	0.788	S	S	*	*			cis	72.1	127	21.4	-67.2	166.6	116.7	0	0	117.4
3	I	40.8	Very low	40.4	Very low	154 Å²	154	154.5 Å²	154.5	79%	0.79	77%	0.774	S	S	*	*			trans	68.2	60.3	150.8	-49.3	153.8	0	0	0	116
4	E	41.6	Very low	41.4	Very low	197 Å²	197	150.2 Å²	150.2	92%	0.921	75%	0.75	S	S	*	*			trans	-131.3	58.3	149.3	-71.9	-162.6	149.3	0	0	110.8
5	K	43.9	Very low	42.3	Very low	196 Å²	196	146.5 Å²	146.5	85%	0.852	73%	0.729	S	S	*	*	S	Bend	trans	-131	119.3	168.6	-82.6	-164.5	171.5	-172.3	0	112.1
6	E	44.1	Very low	43.5	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	70%	0.699	S	S	*	*			trans	51.6	60.7	159.8	-57.9	-168.6	168.1	0	0	116.8	K8	E6-K8 PolarHBondContact O-N 3.27Å
7	M	35	Very low	44.8	Very low	189 Å²	189	133.7 Å²	133.7	93%	0.931	67%	0.67	S	S	*	*			trans	-63.1	92.5	140.5	-69.8	-176.3	73.2	0	0	107.9	K9	M7-K9 PolarHBondContact O-N 3.06Å; M7-K9 VanDerWaalsContact O-N 3.16Å
8	K	41.9	Very low	46.7	Very low	147 Å²	147	129.8 Å²	129.8	64%	0.639	66%	0.662	S	S	*	*			trans	-47.8	125.1	163.8	-88.3	-168.5	173.9	-172.7	0	106.5	E6 V10 E58	E6-K8 PolarHBondContact O-N 3.27Å; K8-V10 WeakPolarHBondContact O-CG2 3.34Å; K8-V10 PolarHBondContact O-N 3.49Å; K8-E58 IonicContact NZ-OE2 2.78Å; K8-E58 PolarHBondContact NZ-OE2 3.25Å
9	K	33.7	Very low	48.5	Very low	192 Å²	192	125.9 Å²	125.9	84%	0.835	66%	0.657	S	S	*	*			trans	-60.7	103.7	-180	-174.7	-177.1	178.1	-172.9	0	108.5	M7 T11	M7-K9 PolarHBondContact O-N 3.06Å; M7-K9 VanDerWaalsContact O-N 3.16Å; K9-T11 VanDerWaalsContact C-N 3.35Å; K9-T11 PolarHBondContact O-N 2.86Å
10	V	37.7	Very low	50.2	Low	125 Å²	125	120.4 Å²	120.4	76%	0.758	63%	0.63	S	S	*	*			trans	-74.3	91.4	-178.9	-176.3	0	0	0	0	108.1	K8 L12	K8-V10 WeakPolarHBondContact O-CG2 3.34Å; K8-V10 PolarHBondContact O-N 3.49Å; V10-L12 PolarHBondContact O-N 3.02Å
11	T	38.3	Very low	51.7	Low	81 Å²	81	117.5 Å²	117.5	50%	0.497	62%	0.624	S	S	.	*			trans	-53.9	124.6	164.3	-53.8	0	0	0	0	108.1	K9 E15	K9-T11 VanDerWaalsContact C-N 3.35Å; K9-T11 PolarHBondContact O-N 2.86Å; T11-E15 HydrophobicContact CG2-CB 3.77Å
12	L	41.4	Very low	53.8	Low	94 Å²	94	107 Å²	107	49%	0.492	57%	0.573	S	S	.	*			trans	-68.1	142.6	178.1	-72	158	0	0	0	108.8	V10 H14 E15	V10-L12 PolarHBondContact O-N 3.02Å; L12-H14 PolarHBondContact O-N 3.46Å; L12-E15 HydrophobicContact CB-CG 4.11Å; L12-E15 PolarHBondContact N-OE2 3.39Å; L12-E15 WeakPolarHBondContact O-CB 3.25Å; L12-E15 PolarHBondContact O-N 2.8Å
13	G	46.7	Very low	55.9	Low	58 Å²	58	103.6 Å²	103.6	60%	0.598	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-18.4	-174	0	0	0	0	0	115	F16 L34	G13-F16 WeakPolarHBondContact O-CB 3.11Å; G13-L34 WeakPolarHBondContact O-CD2 3.31Å
14	H	54.4	Low	57.8	Low	95 Å²	95	103.4 Å²	103.4	44%	0.44	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	-15.2	175.5	59.5	-107.2	0	0	0	115.1	L12 F16 L34	L12-H14 PolarHBondContact O-N 3.46Å; H14-F16 VanDerWaalsContact C-N 3.29Å; H14-L34 HydrophobicContact CB-CB 4.28Å; H14-L34 HydrophobicContact CB-CD2 4.29Å
15	E	55.1	Low	59.6	Low	95 Å²	95	95.7 Å²	95.7	44%	0.444	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.2	169.7	-59	175.6	129.2	0	0	111.4	T11 L12 G17 A18	T11-E15 HydrophobicContact CG2-CB 3.77Å; L12-E15 HydrophobicContact CB-CG 4.11Å; L12-E15 PolarHBondContact N-OE2 3.39Å; L12-E15 WeakPolarHBondContact O-CB 3.25Å; L12-E15 PolarHBondContact O-N 2.8Å; E15-G17 PolarHBondContact O-N 3.19Å; E15-A18 VanDerWaalsContact O-CB 3.26Å; E15-A18 WeakPolarHBondContact O-CB 3.45Å; E15-A18 PolarHBondContact O-N 2.75Å; E15-A18 VanDerWaalsContact O-N 3.09Å
16	F	62.2	Low	61.6	Low	55 Å²	55	93 Å²	93	24%	0.241	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	119.4	-173.2	-173.1	-110.7	0	0	0	112.1	G13 H14 A18 L48 V53 M55 E59	G13-F16 WeakPolarHBondContact O-CB 3.11Å; H14-F16 VanDerWaalsContact C-N 3.29Å; F16-A18 PolarHBondContact O-N 2.96Å; F16-L48 HydrophobicContact CE1-CD2 4.46Å; F16-V53 HydrophobicContact CE1-CG1 4.17Å; F16-V53 HydrophobicContact CZ-CG1 4.47Å; F16-M55 HydrophobicContact CE1-CE 4.3Å; F16-M55 HydrophobicContact CE1-SD 3.34Å; F16-M55 WeakPolarHBondContact CE1-SD 3.42Å; F16-M55 HydrophobicContact CZ-SD 3.39Å; F16-M55 WeakPolarHBondContact CZ-SD 3.37Å; F16-E59 VanDerWaalsContact CE2-OE2 3.22Å; F16-E59 WeakPolarHBondContact CE2-OE2 3.35Å; F16-E59 WeakPolarHBondContact CZ-OE2 3.39Å
17	G	64.9	Low	63.6	Low	20 Å²	20	92.2 Å²	92.2	21%	0.206	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	8.7	-176.4	0	0	0	0	0	115.3	E15 G19 A20 F32	E15-G17 PolarHBondContact O-N 3.19Å; G17-G19 PolarHBondContact O-N 3.19Å; G17-A20 WeakPolarHBondContact O-CB 3.46Å; G17-A20 PolarHBondContact O-N 2.84Å; G17-F32 WeakPolarHBondContact O-CB 3.28Å
18	A	79.3	Confident	65.8	Low	64 Å²	64	92.1 Å²	92.1	53%	0.529	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136.4	-178.7	0	0	0	0	0	112.2	E15 F16 A20 F32	E15-A18 VanDerWaalsContact O-CB 3.26Å; E15-A18 WeakPolarHBondContact O-CB 3.45Å; E15-A18 PolarHBondContact O-N 2.75Å; E15-A18 VanDerWaalsContact O-N 3.09Å; F16-A18 PolarHBondContact O-N 2.96Å; A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3.31Å; A18-F32 CarbonylContact C-O 3.6Å; A18-F32 WeakPolarHBondContact CA-O 3.22Å
19	G	81	Confident	67.7	Low	55 Å²	55	85.7 Å²	85.7	57%	0.567	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-9	-175.2	0	0	0	0	0	115.6	G17 A21 F32	G17-G19 PolarHBondContact O-N 3.19Å; G19-A21 PolarHBondContact O-N 2.78Å; G19-F32 PolarHBondContact N-O 3.11Å
20	A	81.8	Confident	70.2	Confident	15 Å²	15	85.4 Å²	85.4	12%	0.124	48%	0.479	C	S	.	.			trans	-60.9	133.9	-178.1	0	0	0	0	0	113	G17 A18 G31 F32 H51 D52 V53	G17-A20 WeakPolarHBondContact O-CB 3.46Å; G17-A20 PolarHBondContact O-N 2.84Å; A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3.31Å; A20-G31 CarbonylContact O-C 3.53Å; A20-F32 HydrophobicContact CB-CB 4.06Å; A20-F32 PolarHBondContact O-N 3.07Å; A20-H51 HydrophobicContact CB-CB 4.31Å; A20-H51 PolarHBondContact O-ND1 2.93Å; A20-D52 WeakPolarHBondContact CB-O 3.33Å; A20-V53 HydrophobicContact CB-CB 4.41Å; A20-V53 HydrophobicContact CB-CG2 3.53Å
21	A	83.2	Confident	72.4	Confident	61 Å²	61	79.6 Å²	79.6	50%	0.504	45%	0.445	S	S	.	.			trans	-63.1	140.5	-177.5	0	0	0	0	0	111.9	G19 L23 H51 D52	G19-A21 PolarHBondContact O-N 2.78Å; A21-L23 PolarHBondContact O-N 3.25Å; A21-H51 CarbonylContact O-C 3.51Å; A21-H51 VanDerWaalsContact O-CA 3.32Å; A21-H51 WeakPolarHBondContact O-CA 3.4Å; A21-D52 PolarHBondContact O-N 2.73Å
22	C	83.4	Confident	74.4	Confident	3 Å²	3	76 Å²	76	2%	0.02	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-79.2	115.9	175.8	-167.9	0	0	0	0	110.4	K24 C25 K26 C29 H51	C22-K24 PolarHBondContact O-N 3.31Å; C22-C25 HydrophobicContact CB-CB 3.97Å; C22-C25 PolarHBondContact SG-N 3.48Å; C22-K26 VanDerWaalsContact O-CA 3.27Å; C22-K26 WeakPolarHBondContact O-CA 3.25Å; C22-K26 PolarHBondContact O-N 3.48Å; C22-C29 HydrophobicContact CB-CB 3.65Å; C22-H51 VanDerWaalsContact CB-CE1 3.45Å; C22-H51 WeakPolarHBondContact CB-CE1 3.46Å; C22-H51 PolarHBondContact SG-NE2 3.08Å
23	L	83.1	Confident	76.3	Confident	97 Å²	97	75 Å²	75	51%	0.508	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.3	178.1	-61.5	173.6	0	0	0	112	A21 E50 D52	A21-L23 PolarHBondContact O-N 3.25Å; L23-E50 WeakPolarHBondContact CB-O 3.33Å; L23-E50 PolarHBondContact N-O 2.88Å; L23-D52 HydrophobicContact CD2-CB 4.02Å; L23-D52 HydrophobicContact CG-CB 4.36Å
24	K	80.4	Confident	77.3	Confident	151 Å²	151	73.7 Å²	73.7	66%	0.657	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-47	179.2	-178.1	175.6	166	-161.8	0	113	C22 E50	C22-K24 PolarHBondContact O-N 3.31Å; K24-E50 HydrophobicContact CB-CB 4.42Å; K24-E50 HydrophobicContact CB-CG 4.38Å; K24-E50 HydrophobicContact CD-CG 4.36Å
25	C	80.1	Confident	78	Confident	34 Å²	34	70.2 Å²	70.2	23%	0.23	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.9	-172.9	-67.7	0	0	0	0	114.3	C22 D27 K28 C29 C44	C22-C25 HydrophobicContact CB-CB 3.97Å; C22-C25 PolarHBondContact SG-N 3.48Å; C25-D27 PolarHBondContact O-N 2.96Å; C25-K28 HydrophobicContact CB-CB 4.36Å; C25-K28 WeakPolarHBondContact O-CB 3.45Å; C25-K28 PolarHBondContact O-N 3.33Å; C25-K28 VanDerWaalsContact O-N 3.15Å; C25-C29 HydrophobicContact CB-CB 4.16Å; C25-C44 HydrophobicContact CB-CB 4.1Å
26	K	85.2	Confident	78.3	Confident	141 Å²	141	73 Å²	73	61%	0.613	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	49.6	-129.6	-177.9	-54.4	-176.2	-178.7	-175.8	0	110.9	C22 K28 C29	C22-K26 VanDerWaalsContact O-CA 3.27Å; C22-K26 WeakPolarHBondContact O-CA 3.25Å; C22-K26 PolarHBondContact O-N 3.48Å; K26-K28 PolarHBondContact O-N 2.97Å; K26-C29 PolarHBondContact O-N 2.91Å
27	D	86.1	Confident	78.3	Confident	164 Å²	164	71.8 Å²	71.8	88%	0.877	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-63.7	-10.3	-175.8	-33.9	-75.5	0	0	0	113.6	C25 C29	C25-D27 PolarHBondContact O-N 2.96Å; D27-C29 PolarHBondContact O-N 3.41Å
28	K	81.6	Confident	78.5	Confident	188 Å²	188	71.7 Å²	71.7	82%	0.817	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-77.7	5	169	-57.2	-174.1	175.3	-171.7	0	113.5	C25 K26	C25-K28 HydrophobicContact CB-CB 4.36Å; C25-K28 WeakPolarHBondContact O-CB 3.45Å; C25-K28 PolarHBondContact O-N 3.33Å; C25-K28 VanDerWaalsContact O-N 3.15Å; K26-K28 PolarHBondContact O-N 2.97Å
29	C	83.4	Confident	78.1	Confident	11 Å²	11	70.4 Å²	70.4	7%	0.074	36%	0.359	C	S	.	.			trans	-134.8	120.2	177	-175.8	0	0	0	0	110.2	C22 C25 K26 D27 G31 C44	C22-C29 HydrophobicContact CB-CB 3.65Å; C25-C29 HydrophobicContact CB-CB 4.16Å; K26-C29 PolarHBondContact O-N 2.91Å; D27-C29 PolarHBondContact O-N 3.41Å; C29-G31 PolarHBondContact O-N 3.33Å; C29-G31 PolarHBondContact SG-O 2.89Å; C29-G31 VanDerWaalsContact SG-O 3.34Å; C29-C44 HydrophobicContact CB-CB 3.78Å; C29-C44 PolarHBondContact SG-SG 2.7Å
30	E	85.7	Confident	77.8	Confident	186 Å²	186	68.5 Å²	68.5	87%	0.869	34%	0.336	S	S	*	.	S	Bend	trans	-68.9	3.4	-179.4	-57.5	178.1	165.5	0	0	113.9
31	G	83.3	Confident	77.7	Confident	4 Å²	4	67.8 Å²	67.8	4%	0.041	33%	0.33	C	S	.	.			trans	123.6	163.2	-175.7	0	0	0	0	0	112.1	A20 C29 N43	A20-G31 CarbonylContact O-C 3.53Å; C29-G31 PolarHBondContact O-N 3.33Å; C29-G31 PolarHBondContact SG-O 2.89Å; C29-G31 VanDerWaalsContact SG-O 3.34Å; G31-N43 PolarHBondContact O-ND2 2.95Å
32	F	80.9	Confident	77.4	Confident	4 Å²	4	69 Å²	69	2%	0.018	32%	0.322	C	S	.	.			trans	-65.9	136.2	173	-167.2	-112.7	0	0	0	110.9	G17 A18 G19 A20 L34 C41 L48 H51 V53	G17-F32 WeakPolarHBondContact O-CB 3.28Å; A18-F32 CarbonylContact C-O 3.6Å; A18-F32 WeakPolarHBondContact CA-O 3.22Å; G19-F32 PolarHBondContact N-O 3.11Å; A20-F32 HydrophobicContact CB-CB 4.06Å; A20-F32 PolarHBondContact O-N 3.07Å; F32-L34 HydrophobicContact CE1-CB 4.14Å; F32-L34 HydrophobicContact CE1-CD1 3.67Å; F32-L34 HydrophobicContact CZ-CD1 3.39Å; F32-C41 HydrophobicContact CD2-CB 3.78Å; F32-C41 HydrophobicContact CE2-CB 4.02Å; F32-L48 HydrophobicContact CD1-CD1 4.28Å; F32-L48 HydrophobicContact CE1-CD1 3.47Å; F32-L48 VanDerWaalsContact CE1-CD1 3.47Å; F32-L48 HydrophobicContact CE2-CB 4.47Å; F32-L48 HydrophobicContact CE2-CD1 4.18Å; F32-L48 HydrophobicContact CZ-CB 4.08Å; F32-L48 HydrophobicContact CZ-CD1 3.4Å; F32-L48 VanDerWaalsContact CZ-CD1 3.4Å; F32-L48 HydrophobicContact CZ-CG 4.36Å; F32-H51 HydrophobicContact CB-CB 4.39Å; F32-H51 WeakPolarHBondContact CB-ND1 3.41Å; F32-H51 HydrophobicContact CD2-CB 4.07Å; F32-H51 AromaticContact CD2-CD2 3.6Å; F32-H51 AromaticContact CD2-CE1 3.79Å; F32-H51 AromaticContact CD2-CG 3.53Å; F32-H51 AromaticContact CD2-ND1 3.68Å; F32-H51 AromaticContact CD2-NE2 3.79Å; F32-H51 HydrophobicContact CG-CB 4.44Å; F32-V53 HydrophobicContact CD1-CG2 4.41Å
33	E	80.1	Confident	77.3	Confident	75 Å²	75	72 Å²	72	35%	0.35	34%	0.337	S	S	.	.			trans	-146	117.5	170.5	-165.4	-155.1	155.1	0	0	106.6	C41 R42	E33-C41 WeakPolarHBondContact O-CA 3.42Å; E33-R42 HydrophobicContact CB-CB 4.4Å; E33-R42 WeakPolarHBondContact O-CG 3.38Å; E33-R42 PolarHBondContact O-N 3.06Å; E33-R42 WeakPolarHBondContact OE1-CD 3.33Å; E33-R42 IonicContact OE1-CZ 2.72Å; E33-R42 IonicContact OE1-NE 3.72Å; E33-R42 PolarHBondContact OE1-NE 2.88Å; E33-R42 IonicContact OE1-NH1 3.53Å; E33-R42 PolarHBondContact OE1-NH1 3.11Å; E33-R42 IonicContact OE1-NH2 3.33Å; E33-R42 WeakPolarHBondContact OE2-CD 3.45Å
34	L	69.1	Low	77.1	Confident	30 Å²	30	68.4 Å²	68.4	16%	0.157	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-79.4	144.7	-175.3	-158.5	79.9	0	0	0	110.9	G13 H14 F32 R42	G13-L34 WeakPolarHBondContact O-CD2 3.31Å; H14-L34 HydrophobicContact CB-CB 4.28Å; H14-L34 HydrophobicContact CB-CD2 4.29Å; F32-L34 HydrophobicContact CE1-CB 4.14Å; F32-L34 HydrophobicContact CE1-CD1 3.67Å; F32-L34 HydrophobicContact CZ-CD1 3.39Å; L34-R42 PolarHBondContact O-NE 3.49Å; L34-R42 PolarHBondContact O-NH2 2.99Å
35	H	67.6	Low	76.8	Confident	22 Å²	22	64.4 Å²	64.4	10%	0.102	30%	0.303	C	S	.	.			trans	-86.7	156.1	163.6	-152.1	-105.7	0	0	0	110.3	W37 R38 R42 D431	H35-W37 AromaticContact CE1-CD1 3.8Å; H35-W37 AromaticContact CE1-CE2 3.99Å; H35-W37 AromaticContact CE1-NE1 3.32Å; H35-W37 PolarHBondContact CE1-NE1 2.79Å; H35-W37 VanDerWaalsContact CE1-NE1 3.32Å; H35-W37 AromaticContact ND1-CD1 3.37Å; H35-W37 AromaticContact ND1-CE2 3.7Å; H35-W37 AromaticContact ND1-CG 3.92Å; H35-W37 AromaticContact ND1-NE1 3.22Å; H35-W37 PolarHBondContact ND1-NE1 2.99Å; H35-W37 PolarHBondContact O-N 3.16Å; H35-R38 HydrophobicContact CB-CB 3.44Å; H35-R38 VanDerWaalsContact CB-CB 3.44Å; H35-R38 HydrophobicContact CB-CG 3.66Å; H35-R38 PolarHBondContact CE1-NH1 3.4Å; H35-R38 PolarHBondContact N-O 3Å; H35-R38 PolarHBondContact NE2-NH1 2.9Å; H35-R38 PolarHBondContact O-N 3.07Å; H35-R42 HydrophobicContact CB-CG 4.25Å; H35-D431 IonicContact CE1-OD2 3.87Å; H35-D431 IonicContact NE2-OD2 2.69Å
36	F	61.9	Low	76.5	Confident	153 Å²	153	63 Å²	63	67%	0.671	29%	0.293	S	S	*	.	S	Bend	trans	-64.8	-15.1	-176.5	81.1	-96.4	0	0	0	114.5
37	W	61.7	Low	75.9	Confident	29 Å²	29	56.7 Å²	56.7	11%	0.11	27%	0.268	C	S	.	.	S	Bend	trans	-133.6	-9.7	174.6	60	-97.6	0	0	0	114.5	H35 H424	H35-W37 AromaticContact CE1-CD1 3.8Å; H35-W37 AromaticContact CE1-CE2 3.99Å; H35-W37 AromaticContact CE1-NE1 3.32Å; H35-W37 PolarHBondContact CE1-NE1 2.79Å; H35-W37 VanDerWaalsContact CE1-NE1 3.32Å; H35-W37 AromaticContact ND1-CD1 3.37Å; H35-W37 AromaticContact ND1-CE2 3.7Å; H35-W37 AromaticContact ND1-CG 3.92Å; H35-W37 AromaticContact ND1-NE1 3.22Å; H35-W37 PolarHBondContact ND1-NE1 2.99Å; H35-W37 PolarHBondContact O-N 3.16Å; W37-H424 HydrophobicContact CE3-CB 4.2Å; W37-H424 AromaticContact CE3-CD2 3.24Å; W37-H424 AromaticContact CE3-CG 3.66Å; W37-H424 AromaticContact CE3-NE2 3.67Å; W37-H424 HydrophobicContact CH2-CB 4.25Å; W37-H424 WeakPolarHBondContact CH2-O 3.47Å; W37-H424 HydrophobicContact CZ3-CB 3.51Å; W37-H424 AromaticContact CZ3-CD2 3.42Å; W37-H424 VanDerWaalsContact CZ3-CD2 3.42Å; W37-H424 WeakPolarHBondContact CZ3-CD2 3.43Å; W37-H424 AromaticContact CZ3-CG 3.5Å
38	R	69.1	Low	75.3	Confident	19 Å²	19	51.3 Å²	51.3	7%	0.072	24%	0.239	C	C	.	.			trans	-98.5	117.4	179.7	-51.3	167.6	159.7	118	-4.4	108.6	H35 I40 G402 D431	H35-R38 HydrophobicContact CB-CB 3.44Å; H35-R38 VanDerWaalsContact CB-CB 3.44Å; H35-R38 HydrophobicContact CB-CG 3.66Å; H35-R38 PolarHBondContact CE1-NH1 3.4Å; H35-R38 PolarHBondContact N-O 3Å; H35-R38 PolarHBondContact NE2-NH1 2.9Å; H35-R38 PolarHBondContact O-N 3.07Å; R38-I40 HydrophobicContact CB-CG1 3.87Å; R38-I40 PolarHBondContact O-N 3.46Å; R38-I40 VanDerWaalsContact O-N 3.12Å; R38-G402 CarbonylContact C-O 3.55Å; R38-G402 WeakPolarHBondContact CA-O 3.44Å; R38-G402 WeakPolarHBondContact CB-O 3.42Å; R38-D431 IonicContact CZ-OD1 2.72Å; R38-D431 IonicContact NH1-OD1 3.32Å; R38-D431 PolarHBondContact NH1-OD1 3.41Å; R38-D431 IonicContact NH1-OD2 2.94Å; R38-D431 PolarHBondContact NH1-OD2 3.22Å; R38-D431 IonicContact NH2-OD1 2.89Å; R38-D431 PolarHBondContact NH2-OD1 2.79Å
39	K	71.1	Confident	74.7	Confident	37 Å²	37	43.7 Å²	43.7	16%	0.161	21%	0.211	C	C	.	.	S	Bend	trans	-77.8	16.9	173.1	-60.9	-166.6	-169.7	159.9	0	113.5	L48 H233 H241 G402 C403 D404 E405	K39-L48 PolarHBondContact O-N 3.43Å; K39-H233 PolarHBondContact NZ-ND1 3.25Å; K39-H241 VanDerWaalsContact CE-CE1 3.49Å; K39-H241 WeakPolarHBondContact CE-CE1 3.36Å; K39-G402 PolarHBondContact N-O 3.35Å; K39-G402 VanDerWaalsContact N-O 3.12Å; K39-C403 WeakPolarHBondContact CB-O 3.18Å; K39-C403 WeakPolarHBondContact CD-O 3.44Å; K39-C403 VanDerWaalsContact CG-O 3.28Å; K39-C403 WeakPolarHBondContact CG-O 3.47Å; K39-D404 HydrophobicContact CB-CB 4.37Å; K39-E405 WeakPolarHBondContact CE-OE1 3.24Å; K39-E405 IonicContact NZ-OE1 2.85Å; K39-E405 PolarHBondContact NZ-OE1 3.26Å
40	I	74.5	Confident	74.5	Confident	15 Å²	15	45.4 Å²	45.4	8%	0.077	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-113.9	147.9	174.9	61.4	171.9	0	0	0	110.1	R38 R42 K45 C46	R38-I40 HydrophobicContact CB-CG1 3.87Å; R38-I40 PolarHBondContact O-N 3.46Å; R38-I40 VanDerWaalsContact O-N 3.12Å; I40-R42 PolarHBondContact O-N 3.03Å; I40-K45 HydrophobicContact CD1-CB 4.14Å; I40-K45 HydrophobicContact CD1-CD 3.75Å; I40-C46 CarbonylContact C-O 3.59Å; I40-C46 VanDerWaalsContact CA-O 3.3Å; I40-C46 WeakPolarHBondContact CA-O 3.29Å
41	C	79.6	Confident	74.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-54.8	129.8	174.3	176.2	0	0	0	0	111.1	F32 E33 N43 C44 K45 C46 H51	F32-C41 HydrophobicContact CD2-CB 3.78Å; F32-C41 HydrophobicContact CE2-CB 4.02Å; E33-C41 WeakPolarHBondContact O-CA 3.42Å; C41-N43 VanDerWaalsContact C-N 3.26Å; C41-N43 PolarHBondContact O-N 3.1Å; C41-N43 PolarHBondContact SG-N 2.95Å; C41-C44 PolarHBondContact SG-N 3.42Å; C41-C44 VanDerWaalsContact SG-N 3.44Å; C41-C44 VanDerWaalsContact SG-SG 3.7Å; C41-K45 VanDerWaalsContact O-CA 3.26Å; C41-K45 WeakPolarHBondContact O-CA 3.42Å; C41-K45 PolarHBondContact O-N 3.49Å; C41-C46 PolarHBondContact N-O 2.89Å; C41-H51 WeakPolarHBondContact CB-NE2 3.16Å
42	R	77.6	Confident	73.9	Confident	87 Å²	87	41.7 Å²	41.7	33%	0.328	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-42.6	172.8	-72.2	164	175.4	-144.1	9.3	112.1	E33 L34 H35 I40	E33-R42 HydrophobicContact CB-CB 4.4Å; E33-R42 WeakPolarHBondContact O-CG 3.38Å; E33-R42 PolarHBondContact O-N 3.06Å; E33-R42 WeakPolarHBondContact OE1-CD 3.33Å; E33-R42 IonicContact OE1-CZ 2.72Å; E33-R42 IonicContact OE1-NE 3.72Å; E33-R42 PolarHBondContact OE1-NE 2.88Å; E33-R42 IonicContact OE1-NH1 3.53Å; E33-R42 PolarHBondContact OE1-NH1 3.11Å; E33-R42 IonicContact OE1-NH2 3.33Å; E33-R42 WeakPolarHBondContact OE2-CD 3.45Å; L34-R42 PolarHBondContact O-NE 3.49Å; L34-R42 PolarHBondContact O-NH2 2.99Å; H35-R42 HydrophobicContact CB-CG 4.25Å; I40-R42 PolarHBondContact O-N 3.03Å
43	N	81.4	Confident	73.5	Confident	65 Å²	65	42.2 Å²	42.2	35%	0.348	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-40	-171.2	-58.2	-30.5	0	0	0	113.3	G31 C41	G31-N43 PolarHBondContact O-ND2 2.95Å; C41-N43 VanDerWaalsContact C-N 3.26Å; C41-N43 PolarHBondContact O-N 3.1Å; C41-N43 PolarHBondContact SG-N 2.95Å
44	C	78.1	Confident	72.6	Confident	22 Å²	22	44.2 Å²	44.2	15%	0.149	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	7.3	-173.9	76.5	0	0	0	0	116.2	C25 C29 C41 C46 H51	C25-C44 HydrophobicContact CB-CB 4.1Å; C29-C44 HydrophobicContact CB-CB 3.78Å; C29-C44 PolarHBondContact SG-SG 2.7Å; C41-C44 PolarHBondContact SG-N 3.42Å; C41-C44 VanDerWaalsContact SG-N 3.44Å; C41-C44 VanDerWaalsContact SG-SG 3.7Å; C44-C46 PolarHBondContact O-N 3Å; C44-C46 PolarHBondContact O-SG 3.39Å; C44-C46 VanDerWaalsContact O-SG 3.33Å; C44-H51 PolarHBondContact SG-NE2 3.17Å; C44-H51 VanDerWaalsContact SG-NE2 3.35Å
45	K	73.9	Confident	72.1	Confident	67 Å²	67	44.1 Å²	44.1	29%	0.291	23%	0.228	S	C	.	.			trans	57.3	9	176.6	-54.2	-59.1	179.5	-172.7	0	116.7	I40 C41 F428	I40-K45 HydrophobicContact CD1-CB 4.14Å; I40-K45 HydrophobicContact CD1-CD 3.75Å; C41-K45 VanDerWaalsContact O-CA 3.26Å; C41-K45 WeakPolarHBondContact O-CA 3.42Å; C41-K45 PolarHBondContact O-N 3.49Å; K45-F428 VanDerWaalsContact NZ-CE2 3.31Å
46	C	75	Confident	71.6	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.034	24%	0.241	C	C	.	.			trans	-79.4	148.5	172.6	-60.8	0	0	0	0	110.4	I40 C41 C44 E50	I40-C46 CarbonylContact C-O 3.59Å; I40-C46 VanDerWaalsContact CA-O 3.3Å; I40-C46 WeakPolarHBondContact CA-O 3.29Å; C41-C46 PolarHBondContact N-O 2.89Å; C44-C46 PolarHBondContact O-N 3Å; C44-C46 PolarHBondContact O-SG 3.39Å; C44-C46 VanDerWaalsContact O-SG 3.33Å; C46-E50 HydrophobicContact CB-CB 3.71Å; C46-E50 HydrophobicContact CB-CG 4.4Å
47	G	72.2	Confident	71.4	Confident	8 Å²	8	43 Å²	43	8%	0.082	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-68.8	166.5	-179.7	0	0	0	0	0	112.8	A49 E50 H51	G47-A49 PolarHBondContact O-N 3.37Å; G47-E50 PolarHBondContact N-OE2 3.15Å; G47-E50 PolarHBondContact O-N 3.39Å; G47-H51 PolarHBondContact O-CD2 2.93Å
48	L	73.7	Confident	71.4	Confident	50 Å²	50	47 Å²	47	26%	0.262	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-48.9	-40.4	170.4	-175.5	70.1	0	0	0	111.8	F16 F32 K39 E50 H51 V53 M55	F16-L48 HydrophobicContact CE1-CD2 4.46Å; F32-L48 HydrophobicContact CD1-CD1 4.28Å; F32-L48 HydrophobicContact CE1-CD1 3.47Å; F32-L48 VanDerWaalsContact CE1-CD1 3.47Å; F32-L48 HydrophobicContact CE2-CB 4.47Å; F32-L48 HydrophobicContact CE2-CD1 4.18Å; F32-L48 HydrophobicContact CZ-CB 4.08Å; F32-L48 HydrophobicContact CZ-CD1 3.4Å; F32-L48 VanDerWaalsContact CZ-CD1 3.4Å; F32-L48 HydrophobicContact CZ-CG 4.36Å; K39-L48 PolarHBondContact O-N 3.43Å; L48-E50 PolarHBondContact O-N 2.8Å; L48-H51 PolarHBondContact O-N 3.41Å; L48-H51 VanDerWaalsContact O-N 3.16Å; L48-V53 HydrophobicContact CD1-CB 4.3Å; L48-V53 HydrophobicContact CD1-CG1 4.32Å; L48-V53 HydrophobicContact CD1-CG2 3.81Å; L48-M55 HydrophobicContact CD1-CE 4.33Å; L48-M55 HydrophobicContact CD2-CE 3.86Å; L48-M55 HydrophobicContact CG-CE 3.86Å
49	A	68.8	Low	70.8	Confident	28 Å²	28	48.6 Å²	48.6	23%	0.231	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-75.9	5.8	177.3	0	0	0	0	0	115.1	G47 H224 R228	G47-A49 PolarHBondContact O-N 3.37Å; A49-H224 PolarHBondContact O-CE1 2.74Å; A49-H224 PolarHBondContact O-NE2 3.19Å; A49-R228 HydrophobicContact CB-CB 4.2Å; A49-R228 HydrophobicContact CB-CG 4.04Å; A49-R228 PolarHBondContact O-NH1 3.47Å
50	E	79.4	Confident	70.1	Confident	47 Å²	47	47.2 Å²	47.2	22%	0.22	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-110.2	8.3	167.1	-81.2	91.9	-133.1	0	0	112.6	L23 K24 C46 G47 L48 R228	L23-E50 WeakPolarHBondContact CB-O 3.33Å; L23-E50 PolarHBondContact N-O 2.88Å; K24-E50 HydrophobicContact CB-CB 4.42Å; K24-E50 HydrophobicContact CB-CG 4.38Å; K24-E50 HydrophobicContact CD-CG 4.36Å; C46-E50 HydrophobicContact CB-CB 3.71Å; C46-E50 HydrophobicContact CB-CG 4.4Å; G47-E50 PolarHBondContact N-OE2 3.15Å; G47-E50 PolarHBondContact O-N 3.39Å; L48-E50 PolarHBondContact O-N 2.8Å; E50-R228 IonicContact OE1-CZ 3.76Å; E50-R228 IonicContact OE1-NH1 2.98Å; E50-R228 PolarHBondContact OE1-NH1 2.86Å; E50-R228 IonicContact OE1-NH2 2.64Å; E50-R228 PolarHBondContact OE1-NH2 3.5Å
51	H	79.8	Confident	69.3	Low	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-115.8	153.2	173.5	-75.4	-111	0	0	0	111.6	A20 A21 C22 F32 C41 C44 G47 L48 V53	A20-H51 HydrophobicContact CB-CB 4.31Å; A20-H51 PolarHBondContact O-ND1 2.93Å; A21-H51 CarbonylContact O-C 3.51Å; A21-H51 VanDerWaalsContact O-CA 3.32Å; A21-H51 WeakPolarHBondContact O-CA 3.4Å; C22-H51 VanDerWaalsContact CB-CE1 3.45Å; C22-H51 WeakPolarHBondContact CB-CE1 3.46Å; C22-H51 PolarHBondContact SG-NE2 3.08Å; F32-H51 HydrophobicContact CB-CB 4.39Å; F32-H51 WeakPolarHBondContact CB-ND1 3.41Å; F32-H51 HydrophobicContact CD2-CB 4.07Å; F32-H51 AromaticContact CD2-CD2 3.6Å; F32-H51 AromaticContact CD2-CE1 3.79Å; F32-H51 AromaticContact CD2-CG 3.53Å; F32-H51 AromaticContact CD2-ND1 3.68Å; F32-H51 AromaticContact CD2-NE2 3.79Å; F32-H51 HydrophobicContact CG-CB 4.44Å; C41-H51 WeakPolarHBondContact CB-NE2 3.16Å; C44-H51 PolarHBondContact SG-NE2 3.17Å; C44-H51 VanDerWaalsContact SG-NE2 3.35Å; G47-H51 PolarHBondContact O-CD2 2.93Å; L48-H51 PolarHBondContact O-N 3.41Å; L48-H51 VanDerWaalsContact O-N 3.16Å; H51-V53 HydrophobicContact CB-CG2 4.02Å; H51-V53 PolarHBondContact O-N 3.27Å
52	D	77.3	Confident	68.7	Low	112 Å²	112	54.4 Å²	54.4	60%	0.599	29%	0.289	S	S	*	.			trans	-80.1	58	178.1	-162.6	21.6	0	0	0	111.6	A20 A21 L23 S54	A20-D52 WeakPolarHBondContact CB-O 3.33Å; A21-D52 PolarHBondContact O-N 2.73Å; L23-D52 HydrophobicContact CD2-CB 4.02Å; L23-D52 HydrophobicContact CG-CB 4.36Å; D52-S54 PolarHBondContact O-N 2.92Å
53	V	71.1	Confident	68.1	Low	15 Å²	15	50.4 Å²	50.4	9%	0.091	28%	0.275	C	S	.	.			trans	-80.5	116.6	-179.2	173.3	0	0	0	0	109.8	F16 A20 F32 L48 H51 M55	F16-V53 HydrophobicContact CE1-CG1 4.17Å; F16-V53 HydrophobicContact CZ-CG1 4.47Å; A20-V53 HydrophobicContact CB-CB 4.41Å; A20-V53 HydrophobicContact CB-CG2 3.53Å; F32-V53 HydrophobicContact CD1-CG2 4.41Å; L48-V53 HydrophobicContact CD1-CB 4.3Å; L48-V53 HydrophobicContact CD1-CG1 4.32Å; L48-V53 HydrophobicContact CD1-CG2 3.81Å; H51-V53 HydrophobicContact CB-CG2 4.02Å; H51-V53 PolarHBondContact O-N 3.27Å; V53-M55 VanDerWaalsContact C-N 3.29Å; V53-M55 HydrophobicContact CB-CE 3.88Å; V53-M55 HydrophobicContact CB-SD 4.45Å; V53-M55 HydrophobicContact CG1-CE 3.75Å; V53-M55 HydrophobicContact CG1-SD 3.73Å; V53-M55 PolarHBondContact O-N 3.34Å
54	S	61.3	Low	67.3	Low	117 Å²	117	47.3 Å²	47.3	82%	0.818	26%	0.258	S	S	*	.			trans	-75.3	78.6	175.7	-171.4	0	0	0	0	111.7	D52	D52-S54 PolarHBondContact O-N 2.92Å
55	M	58.3	Low	67.2	Low	28 Å²	28	48.8 Å²	48.8	14%	0.138	26%	0.262	C	S	.	.			trans	-54	137.6	173	-52.2	-65.1	178.8	0	0	111.4	F16 L48 V53 N60 D227	F16-M55 HydrophobicContact CE1-CE 4.3Å; F16-M55 HydrophobicContact CE1-SD 3.34Å; F16-M55 WeakPolarHBondContact CE1-SD 3.42Å; F16-M55 HydrophobicContact CZ-SD 3.39Å; F16-M55 WeakPolarHBondContact CZ-SD 3.37Å; L48-M55 HydrophobicContact CD1-CE 4.33Å; L48-M55 HydrophobicContact CD2-CE 3.86Å; L48-M55 HydrophobicContact CG-CE 3.86Å; V53-M55 VanDerWaalsContact C-N 3.29Å; V53-M55 HydrophobicContact CB-CE 3.88Å; V53-M55 HydrophobicContact CB-SD 4.45Å; V53-M55 HydrophobicContact CG1-CE 3.75Å; V53-M55 HydrophobicContact CG1-SD 3.73Å; V53-M55 PolarHBondContact O-N 3.34Å; M55-N60 WeakPolarHBondContact CB-ND2 3.42Å; M55-N60 PolarHBondContact O-ND2 3.12Å; M55-N60 VanDerWaalsContact O-ND2 3.15Å; M55-D227 VanDerWaalsContact CG-OD2 3.29Å; M55-D227 WeakPolarHBondContact CG-OD2 3.38Å
56	N	58.8	Low	67.6	Low	69 Å²	69	45.8 Å²	45.8	37%	0.369	25%	0.249	S	C	.	.			trans	-77.9	158.7	180	78.1	45.6	0	0	0	112.4	E58 E59 N60	N56-E58 PolarHBondContact O-N 3.31Å; N56-E58 VanDerWaalsContact O-N 3.13Å; N56-E58 WeakPolarHBondContact OD1-CA 3.36Å; N56-E58 WeakPolarHBondContact OD1-CB 3.3Å; N56-E58 PolarHBondContact OD1-N 2.99Å; N56-E59 PolarHBondContact N-OE2 3.13Å; N56-E59 PolarHBondContact ND2-OE1 3.44Å; N56-E59 PolarHBondContact ND2-OE2 3.4Å; N56-E59 PolarHBondContact O-N 3.01Å; N56-E59 PolarHBondContact OD1-N 3.16Å; N56-E59 PolarHBondContact OD1-OE2 3.19Å; N56-N60 PolarHBondContact O-N 3.24Å; N56-N60 PolarHBondContact O-ND2 2.78Å
57	S	57.7	Low	68	Low	81 Å²	81	45.6 Å²	45.6	57%	0.566	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	1.7	-173.7	67.6	0	0	0	0	114.9	K61	S57-K61 WeakPolarHBondContact O-CD 3.47Å; S57-K61 WeakPolarHBondContact O-CE 3.28Å; S57-K61 PolarHBondContact O-NZ 3.19Å
58	E	60.8	Low	68.5	Low	113 Å²	113	47.4 Å²	47.4	53%	0.528	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-35.6	167.7	-53.5	-158.8	112.3	0	0	111.3	K8 N56	K8-E58 IonicContact NZ-OE2 2.78Å; K8-E58 PolarHBondContact NZ-OE2 3.25Å; N56-E58 PolarHBondContact O-N 3.31Å; N56-E58 VanDerWaalsContact O-N 3.13Å; N56-E58 WeakPolarHBondContact OD1-CA 3.36Å; N56-E58 WeakPolarHBondContact OD1-CB 3.3Å; N56-E58 PolarHBondContact OD1-N 2.99Å
59	E	57	Low	68.9	Low	53 Å²	53	52.5 Å²	52.5	25%	0.248	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.5	-46.5	173.8	-79.8	135.3	-156.5	0	0	113.2	F16 N56 K61 K62	F16-E59 VanDerWaalsContact CE2-OE2 3.22Å; F16-E59 WeakPolarHBondContact CE2-OE2 3.35Å; F16-E59 WeakPolarHBondContact CZ-OE2 3.39Å; N56-E59 PolarHBondContact N-OE2 3.13Å; N56-E59 PolarHBondContact ND2-OE1 3.44Å; N56-E59 PolarHBondContact ND2-OE2 3.4Å; N56-E59 PolarHBondContact O-N 3.01Å; N56-E59 PolarHBondContact OD1-N 3.16Å; N56-E59 PolarHBondContact OD1-OE2 3.19Å; E59-K61 PolarHBondContact O-N 2.83Å; E59-K62 WeakPolarHBondContact O-CB 3.31Å; E59-K62 PolarHBondContact O-N 3.08Å
60	N	55.9	Low	69.8	Low	8 Å²	8	52.1 Å²	52.1	4%	0.043	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-58.5	-3.7	177.9	-78.3	-88.4	0	0	0	115.3	M55 N56 R223	M55-N60 WeakPolarHBondContact CB-ND2 3.42Å; M55-N60 PolarHBondContact O-ND2 3.12Å; M55-N60 VanDerWaalsContact O-ND2 3.15Å; N56-N60 PolarHBondContact O-N 3.24Å; N56-N60 PolarHBondContact O-ND2 2.78Å; N60-R223 HydrophobicContact CB-CG 4.25Å; N60-R223 WeakPolarHBondContact OD1-CA 3.18Å; N60-R223 WeakPolarHBondContact OD1-CB 3.43Å; N60-R223 VanDerWaalsContact OD1-CG 3.29Å; N60-R223 WeakPolarHBondContact OD1-CG 3.47Å; N60-R223 PolarHBondContact OD1-O 3.3Å
61	K	58.6	Low	70	Confident	93 Å²	93	56.2 Å²	56.2	40%	0.404	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-102.1	-3.1	175.3	-63.6	170.6	-177.6	138.2	0	112	S57 E59 V63 S86 Y87	S57-K61 WeakPolarHBondContact O-CD 3.47Å; S57-K61 WeakPolarHBondContact O-CE 3.28Å; S57-K61 PolarHBondContact O-NZ 3.19Å; E59-K61 PolarHBondContact O-N 2.83Å; K61-V63 PolarHBondContact O-N 3.32Å; K61-S86 CarbonylContact O-C 3.6Å; K61-S86 WeakPolarHBondContact O-CA 3.13Å; K61-Y87 WeakPolarHBondContact O-CB 3.13Å; K61-Y87 PolarHBondContact O-N 3.45Å
62	K	65.9	Low	70.2	Confident	73 Å²	73	57.9 Å²	57.9	32%	0.317	30%	0.3	S	S	.	.			trans	-91.5	92.2	-177	-60.9	171.7	-169.7	162	0	110.3	E59 G64 E232	E59-K62 WeakPolarHBondContact O-CB 3.31Å; E59-K62 PolarHBondContact O-N 3.08Å; K62-G64 PolarHBondContact O-N 3.27Å; K62-E232 VanDerWaalsContact CB-CD 3.5Å; K62-E232 HydrophobicContact CB-CG 3.99Å; K62-E232 WeakPolarHBondContact CD-OE1 3.45Å; K62-E232 WeakPolarHBondContact O-CG 3.4Å
63	V	65.3	Low	70.2	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.024	29%	0.291	C	S	.	.			trans	-83.6	22.3	168	-63.1	0	0	0	0	112	K61 K65 L66 F67 I76 Y87 M226 L230 Q235	K61-V63 PolarHBondContact O-N 3.32Å; V63-K65 PolarHBondContact O-N 3.47Å; V63-L66 HydrophobicContact CB-CB 4.47Å; V63-L66 HydrophobicContact CG2-CB 4.38Å; V63-L66 WeakPolarHBondContact O-CB 3.36Å; V63-L66 PolarHBondContact O-N 3.42Å; V63-F67 HydrophobicContact CB-CE2 4.44Å; V63-F67 HydrophobicContact CG2-CD2 3.79Å; V63-F67 HydrophobicContact CG2-CE2 3.91Å; V63-I76 HydrophobicContact CG2-CG2 4.49Å; V63-Y87 HydrophobicContact CG1-CD2 4.24Å; V63-Y87 HydrophobicContact CG1-CG 4.04Å; V63-Y87 HydrophobicContact CG2-CD2 4.32Å; V63-Y87 HydrophobicContact CG2-CG 4.49Å; V63-M226 HydrophobicContact CG1-CE 4.39Å; V63-L230 HydrophobicContact CG1-CD1 4.16Å; V63-Q235 PolarHBondContact O-OE1 2.8Å
64	G	64.8	Low	70.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	-133.5	-169.2	0	0	0	0	0	112.1	K62	K62-G64 PolarHBondContact O-N 3.27Å
65	K	76.8	Confident	70.7	Confident	52 Å²	52	54.2 Å²	54.2	23%	0.226	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	15.8	-176.1	-68.2	-167.8	153.5	85.7	0	114.5	V63 F67 E68 D236 K259	V63-K65 PolarHBondContact O-N 3.47Å; K65-F67 VanDerWaalsContact C-N 3.33Å; K65-F67 PolarHBondContact O-N 2.88Å; K65-E68 HydrophobicContact CB-CG 4.37Å; K65-E68 VanDerWaalsContact CB-OE2 3.27Å; K65-E68 WeakPolarHBondContact CB-OE2 3.48Å; K65-E68 WeakPolarHBondContact CD-OE2 3.4Å; K65-E68 WeakPolarHBondContact CE-OE2 3.4Å; K65-E68 WeakPolarHBondContact CG-OE2 3.45Å; K65-E68 PolarHBondContact O-N 2.9Å; K65-D236 HydrophobicContact CG-CB 4.4Å; K65-D236 IonicContact NZ-OD1 3.45Å; K65-D236 IonicContact NZ-OD2 2.68Å; K65-D236 PolarHBondContact NZ-OD2 2.66Å; K65-K259 WeakPolarHBondContact O-CE 3.46Å; K65-K259 PolarHBondContact O-NZ 3.33Å
66	L	82.1	Confident	71.2	Confident	4 Å²	4	54 Å²	54	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-45.4	-167.9	-164	45.5	0	0	0	114.5	V63 L230 Q235 K259 L263 I378 F380	V63-L66 HydrophobicContact CB-CB 4.47Å; V63-L66 HydrophobicContact CG2-CB 4.38Å; V63-L66 WeakPolarHBondContact O-CB 3.36Å; V63-L66 PolarHBondContact O-N 3.42Å; L66-L230 HydrophobicContact CD2-CD1 4.14Å; L66-L230 HydrophobicContact CD2-CD2 3.92Å; L66-Q235 VanDerWaalsContact CD1-OE1 3.28Å; L66-K259 VanDerWaalsContact O-CE 3.25Å; L66-K259 WeakPolarHBondContact O-CE 3.41Å; L66-K259 WeakPolarHBondContact O-CG 3.43Å; L66-L263 HydrophobicContact CD1-CD1 3.93Å; L66-L263 HydrophobicContact CD1-CD2 3.65Å; L66-L263 HydrophobicContact CD1-CG 4.35Å; L66-L263 HydrophobicContact CD2-CD1 4.06Å; L66-L263 HydrophobicContact CG-CD1 4.05Å; L66-L263 HydrophobicContact CG-CD2 3.82Å; L66-I378 HydrophobicContact CD2-CG2 4.03Å; L66-F380 HydrophobicContact CD1-CE1 4.42Å; L66-F380 HydrophobicContact CD1-CZ 3.88Å; L66-F380 HydrophobicContact CD2-CZ 4.36Å
67	F	82.9	Confident	71.2	Confident	1 Å²	1	52 Å²	52	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-5.6	-169.6	-58.5	-58.8	0	0	0	114	V63 K65 T70 Y72 T73 I76 Y87 L263 V265 I378	V63-F67 HydrophobicContact CB-CE2 4.44Å; V63-F67 HydrophobicContact CG2-CD2 3.79Å; V63-F67 HydrophobicContact CG2-CE2 3.91Å; K65-F67 VanDerWaalsContact C-N 3.33Å; K65-F67 PolarHBondContact O-N 2.88Å; F67-T70 PolarHBondContact O-N 3.4Å; F67-T70 PolarHBondContact O-OG1 3.01Å; F67-Y72 HydrophobicContact CD1-CD2 4.41Å; F67-Y72 HydrophobicContact CD1-CG 4.37Å; F67-T73 WeakPolarHBondContact O-CG2 3.16Å; F67-I76 HydrophobicContact CB-CG2 3.98Å; F67-I76 HydrophobicContact CD2-CG2 4.02Å; F67-Y87 HydrophobicContact CD2-CD2 4.1Å; F67-Y87 HydrophobicContact CD2-CE2 4.5Å; F67-Y87 AromaticContact CE2-CD2 3.7Å; F67-Y87 HydrophobicContact CE2-CD2 3.7Å; F67-Y87 AromaticContact CE2-CE2 3.85Å; F67-Y87 HydrophobicContact CE2-CE2 3.85Å; F67-L263 HydrophobicContact CD1-CD2 4.08Å; F67-L263 HydrophobicContact CE1-CD1 4.17Å; F67-L263 HydrophobicContact CE1-CD2 4.07Å; F67-L263 HydrophobicContact CE1-CG 4.48Å; F67-V265 HydrophobicContact CE1-CG2 4.12Å; F67-I378 HydrophobicContact CE1-CG2 4.47Å; F67-I378 HydrophobicContact CE2-CD1 4.1Å; F67-I378 HydrophobicContact CZ-CD1 3.73Å; F67-I378 HydrophobicContact CZ-CG1 3.91Å; F67-I378 HydrophobicContact CZ-CG2 3.98Å
68	E	82.7	Confident	71.1	Confident	47 Å²	47	57.6 Å²	57.6	22%	0.22	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	140.3	171.4	-61	-178.6	152.9	0	0	110.3	K65 T70 I76 P85 K259	K65-E68 HydrophobicContact CB-CG 4.37Å; K65-E68 VanDerWaalsContact CB-OE2 3.27Å; K65-E68 WeakPolarHBondContact CB-OE2 3.48Å; K65-E68 WeakPolarHBondContact CD-OE2 3.4Å; K65-E68 WeakPolarHBondContact CE-OE2 3.4Å; K65-E68 WeakPolarHBondContact CG-OE2 3.45Å; K65-E68 PolarHBondContact O-N 2.9Å; E68-T70 WeakPolarHBondContact O-CG2 3.32Å; E68-T70 PolarHBondContact O-N 3.35Å; E68-I76 HydrophobicContact CG-CD1 4.45Å; E68-P85 HydrophobicContact CG-CG 3.57Å; E68-P85 WeakPolarHBondContact OE1-CD 3.46Å; E68-P85 WeakPolarHBondContact OE1-CG 3.33Å; E68-K259 PolarHBondContact O-NZ 3.12Å
69	D	82.7	Confident	70.7	Confident	156 Å²	156	57 Å²	57	83%	0.834	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	7.4	179.3	-46.6	-41.7	0	0	0	115.9
70	T	86.2	Confident	70.3	Confident	20 Å²	20	64.1 Å²	64.1	12%	0.123	33%	0.325	C	S	.	.	S	Bend	trans	-95.9	164.2	174.3	75.7	0	0	0	0	112.1	F67 E68 Y72 T73 K259 L263	F67-T70 PolarHBondContact O-N 3.4Å; F67-T70 PolarHBondContact O-OG1 3.01Å; E68-T70 WeakPolarHBondContact O-CG2 3.32Å; E68-T70 PolarHBondContact O-N 3.35Å; T70-Y72 PolarHBondContact O-N 3.15Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; T70-Y72 WeakPolarHBondContact OG1-CA 3.43Å; T70-Y72 WeakPolarHBondContact OG1-CB 3.36Å; T70-Y72 PolarHBondContact OG1-N 3.03Å; T70-T73 WeakPolarHBondContact O-CB 3.36Å; T70-T73 VanDerWaalsContact O-CG2 3.28Å; T70-T73 WeakPolarHBondContact O-CG2 3.41Å; T70-T73 PolarHBondContact O-N 3.37Å; T70-T73 VanDerWaalsContact O-N 3.1Å; T70-T73 PolarHBondContact O-OG1 3.32Å; T70-K259 HydrophobicContact CG2-CB 3.93Å; T70-K259 HydrophobicContact CG2-CD 3.85Å; T70-K259 HydrophobicContact CG2-CG 3.8Å; T70-L263 HydrophobicContact CG2-CD2 4.34Å
71	K	85.1	Confident	69.8	Low	134 Å²	134	68.8 Å²	68.8	58%	0.583	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13	166.6	67.1	176.4	-179.5	175.1	0	114.1	T73 E352	K71-T73 VanDerWaalsContact C-N 3.33Å; K71-E352 IonicContact NZ-OE1 3.59Å; K71-E352 PolarHBondContact NZ-OE1 3.33Å; K71-E352 IonicContact NZ-OE2 3.44Å; K71-E352 PolarHBondContact NZ-OE2 3.49Å
72	Y	82.9	Confident	69.2	Low	36 Å²	36	71.9 Å²	71.9	14%	0.141	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10.7	175.6	-50.5	-67.6	0	0	0	113	F67 T70 G74 L75 G264 V265	F67-Y72 HydrophobicContact CD1-CD2 4.41Å; F67-Y72 HydrophobicContact CD1-CG 4.37Å; T70-Y72 PolarHBondContact O-N 3.15Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; T70-Y72 WeakPolarHBondContact OG1-CA 3.43Å; T70-Y72 WeakPolarHBondContact OG1-CB 3.36Å; T70-Y72 PolarHBondContact OG1-N 3.03Å; Y72-G74 PolarHBondContact O-N 3.36Å; Y72-L75 WeakPolarHBondContact O-CB 3.33Å; Y72-L75 PolarHBondContact O-N 3.33Å; Y72-G264 WeakPolarHBondContact OH-CA 3.29Å; Y72-V265 HydrophobicContact CD1-CB 4.15Å; Y72-V265 HydrophobicContact CD1-CG2 3.8Å; Y72-V265 HydrophobicContact CD2-CG2 4.4Å; Y72-V265 HydrophobicContact CE1-CB 3.93Å; Y72-V265 HydrophobicContact CE1-CG2 3.96Å; Y72-V265 HydrophobicContact CG-CG2 4.04Å
73	T	77.5	Confident	68.9	Low	66 Å²	66	71.2 Å²	71.2	41%	0.405	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-54.5	-17.1	173.4	35.2	0	0	0	0	114.3	F67 T70 K71 L75 I76	F67-T73 WeakPolarHBondContact O-CG2 3.16Å; T70-T73 WeakPolarHBondContact O-CB 3.36Å; T70-T73 VanDerWaalsContact O-CG2 3.28Å; T70-T73 WeakPolarHBondContact O-CG2 3.41Å; T70-T73 PolarHBondContact O-N 3.37Å; T70-T73 VanDerWaalsContact O-N 3.1Å; T70-T73 PolarHBondContact O-OG1 3.32Å; K71-T73 VanDerWaalsContact C-N 3.33Å; T73-L75 VanDerWaalsContact C-N 3.25Å; T73-L75 PolarHBondContact O-N 3Å; T73-I76 HydrophobicContact CG2-CD1 4.46Å; T73-I76 WeakPolarHBondContact O-CG1 3.3Å
74	G	71.8	Confident	68.6	Low	69 Å²	69	73.1 Å²	73.1	71%	0.711	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-71.1	-12.2	170	0	0	0	0	0	115.2	Y72	Y72-G74 PolarHBondContact O-N 3.36Å
75	L	71.8	Confident	68.4	Low	32 Å²	32	73.9 Å²	73.9	17%	0.168	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-92.3	3.1	178.5	-55.6	-177.4	0	0	0	113.5	Y72 T73 Y87 Q88 V265	Y72-L75 WeakPolarHBondContact O-CB 3.33Å; Y72-L75 PolarHBondContact O-N 3.33Å; T73-L75 VanDerWaalsContact C-N 3.25Å; T73-L75 PolarHBondContact O-N 3Å; L75-Y87 HydrophobicContact CB-CD2 4.39Å; L75-Y87 HydrophobicContact CB-CE2 3.94Å; L75-Y87 HydrophobicContact CD1-CE2 4.48Å; L75-Y87 WeakPolarHBondContact O-CD2 3.3Å; L75-Q88 PolarHBondContact O-N 2.94Å; L75-V265 HydrophobicContact CD1-CG1 4.28Å; L75-V265 HydrophobicContact CD1-CG2 3.86Å
76	I	67.9	Low	67.7	Low	24 Å²	24	72.5 Å²	72.5	12%	0.123	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.3	176.2	50.8	169.3	0	0	0	111.1	V63 F67 E68 T73 P85 S86	V63-I76 HydrophobicContact CG2-CG2 4.49Å; F67-I76 HydrophobicContact CB-CG2 3.98Å; F67-I76 HydrophobicContact CD2-CG2 4.02Å; E68-I76 HydrophobicContact CG-CD1 4.45Å; T73-I76 HydrophobicContact CG2-CD1 4.46Å; T73-I76 WeakPolarHBondContact O-CG1 3.3Å; I76-P85 HydrophobicContact CB-CB 4.09Å; I76-P85 HydrophobicContact CD1-CB 3.92Å; I76-P85 HydrophobicContact CD1-CG 4.22Å; I76-P85 HydrophobicContact CG2-CB 4.06Å; I76-S86 CarbonylContact C-O 3.53Å; I76-S86 WeakPolarHBondContact CA-O 3.37Å
77	A	59.8	Low	67.1	Low	25 Å²	25	72.7 Å²	72.7	21%	0.207	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130	174.4	0	0	0	0	0	109.8	L79 S86 Q88	A77-L79 PolarHBondContact O-N 3.27Å; A77-S86 PolarHBondContact N-O 3.45Å; A77-Q88 HydrophobicContact CB-CB 4.27Å
78	K	55.1	Low	66.2	Low	200 Å²	200	78.4 Å²	78.4	87%	0.87	43%	0.427	S	S	*	.			trans	-72.8	89.6	173.3	-70.2	-175.9	177.6	-178.7	0	110.2
79	L	52.6	Low	65.4	Low	99 Å²	99	77.3 Å²	77.3	52%	0.518	43%	0.429	S	S	.	.			trans	-65.9	147.4	173	-69.2	167.1	0	0	0	111	A77 I84	A77-L79 PolarHBondContact O-N 3.27Å; L79-I84 WeakPolarHBondContact CD1-O 3.24Å
80	K	47.3	Very low	65.2	Low	204 Å²	204	72.7 Å²	72.7	89%	0.887	40%	0.404	S	S	*	.	S	Bend	trans	-96.1	-16.8	-172.4	-67.1	-176.7	177	179.8	0	114.2
81	T	45.9	Very low	65	Low	106 Å²	106	78 Å²	78	65%	0.65	43%	0.429	S	S	*	.	S	Bend	trans	-149.9	167	177	-20.2	0	0	0	0	109.7	G83	T81-G83 PolarHBondContact O-N 2.99Å
82	D	47.1	Very low	65	Low	157 Å²	157	72.7 Å²	72.7	84%	0.84	41%	0.408	S	S	*	.	S	Bend	trans	63.8	5.2	168.3	-48.9	-24.6	0	0	0	118.8	I84	D82-I84 PolarHBondContact O-N 3.49Å
83	G	59.3	Low	65.3	Low	59 Å²	59	74.6 Å²	74.6	61%	0.608	42%	0.423	S	S	*	.	S	Bend	trans	76.5	19.1	135.1	0	0	0	0	0	119.9	T81	T81-G83 PolarHBondContact O-N 2.99Å
84	I	58.3	Low	65.6	Low	45 Å²	45	72 Å²	72	23%	0.231	41%	0.407	C	S	.	.			trans	-128.9	120.2	167	-58.1	175	0	0	0	108.7	L79 D82 S86	L79-I84 WeakPolarHBondContact CD1-O 3.24Å; D82-I84 PolarHBondContact O-N 3.49Å; I84-S86 PolarHBondContact O-N 2.81Å
85	P	60.3	Low	66.3	Low	15 Å²	15	72.3 Å²	72.3	10%	0.097	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-58.9	137	-177.6	-22.1	30.9	0	0	0	113.2	E68 I76	E68-P85 HydrophobicContact CG-CG 3.57Å; E68-P85 WeakPolarHBondContact OE1-CD 3.46Å; E68-P85 WeakPolarHBondContact OE1-CG 3.33Å; I76-P85 HydrophobicContact CB-CB 4.09Å; I76-P85 HydrophobicContact CD1-CB 3.92Å; I76-P85 HydrophobicContact CD1-CG 4.22Å; I76-P85 HydrophobicContact CG2-CB 4.06Å
86	S	62.3	Low	66.4	Low	23 Å²	23	72.8 Å²	72.8	16%	0.161	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.5	164.8	52.8	0	0	0	0	110.1	K61 I76 A77 I84 Q88	K61-S86 CarbonylContact O-C 3.6Å; K61-S86 WeakPolarHBondContact O-CA 3.13Å; I76-S86 CarbonylContact C-O 3.53Å; I76-S86 WeakPolarHBondContact CA-O 3.37Å; A77-S86 PolarHBondContact N-O 3.45Å; I84-S86 PolarHBondContact O-N 2.81Å; S86-Q88 PolarHBondContact O-N 3.24Å
87	Y	69.1	Low	66.7	Low	8 Å²	8	75.3 Å²	75.3	3%	0.031	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	121.3	166.3	-175.4	-106	0	0	0	109.7	K61 V63 F67 L75 G89 W189 M226 D376 I378	K61-Y87 WeakPolarHBondContact O-CB 3.13Å; K61-Y87 PolarHBondContact O-N 3.45Å; V63-Y87 HydrophobicContact CG1-CD2 4.24Å; V63-Y87 HydrophobicContact CG1-CG 4.04Å; V63-Y87 HydrophobicContact CG2-CD2 4.32Å; V63-Y87 HydrophobicContact CG2-CG 4.49Å; F67-Y87 HydrophobicContact CD2-CD2 4.1Å; F67-Y87 HydrophobicContact CD2-CE2 4.5Å; F67-Y87 AromaticContact CE2-CD2 3.7Å; F67-Y87 HydrophobicContact CE2-CD2 3.7Å; F67-Y87 AromaticContact CE2-CE2 3.85Å; F67-Y87 HydrophobicContact CE2-CE2 3.85Å; L75-Y87 HydrophobicContact CB-CD2 4.39Å; L75-Y87 HydrophobicContact CB-CE2 3.94Å; L75-Y87 HydrophobicContact CD1-CE2 4.48Å; L75-Y87 WeakPolarHBondContact O-CD2 3.3Å; Y87-G89 PolarHBondContact O-N 3.27Å; Y87-W189 PolarHBondContact OH-NE1 2.92Å; Y87-W189 VanDerWaalsContact OH-NE1 3.17Å; Y87-M226 HydrophobicContact CD1-SD 4.34Å; Y87-D376 HydrophobicContact CE1-CB 4.47Å; Y87-D376 WeakPolarHBondContact CE1-OD2 3.18Å; Y87-I378 HydrophobicContact CE2-CD1 4.19Å
88	Q	65.6	Low	66.8	Low	122 Å²	122	75.9 Å²	75.9	57%	0.57	42%	0.418	S	S	*	.			trans	-83.4	77.5	175.5	-171.1	169.7	-38.7	0	0	108.4	L75 A77 S86 N90	L75-Q88 PolarHBondContact O-N 2.94Å; A77-Q88 HydrophobicContact CB-CB 4.27Å; S86-Q88 PolarHBondContact O-N 3.24Å; Q88-N90 PolarHBondContact O-N 2.87Å
89	G	65	Low	66.6	Low	24 Å²	24	72 Å²	72	25%	0.247	41%	0.413	C	S	.	.			trans	-50.7	124.3	172.9	0	0	0	0	0	110.3	Y87 M91	Y87-G89 PolarHBondContact O-N 3.27Å; G89-M91 PolarHBondContact O-N 3.12Å
90	N	77.6	Confident	66.1	Low	59 Å²	59	72.5 Å²	72.5	32%	0.316	42%	0.416	S	S	.	.			trans	-74	69.2	-177.2	-176.4	34	0	0	0	110.2	Q88 V92 W189 A190 P191	Q88-N90 PolarHBondContact O-N 2.87Å; N90-V92 PolarHBondContact O-N 3.15Å; N90-V92 WeakPolarHBondContact OD1-CG2 3.41Å; N90-W189 CarbonylContact O-C 3.51Å; N90-W189 WeakPolarHBondContact O-CA 3.49Å; N90-A190 WeakPolarHBondContact CB-O 3.48Å; N90-A190 PolarHBondContact ND2-O 3.46Å; N90-A190 PolarHBondContact O-N 2.86Å; N90-P191 PolarHBondContact ND2-O 3.19Å
91	M	83.7	Confident	65.7	Low	130 Å²	130	68.9 Å²	68.9	64%	0.64	41%	0.412	S	S	*	.			trans	-73.4	118.7	178.1	-178.8	-178.3	73	0	0	109	G89 T186 Y187	G89-M91 PolarHBondContact O-N 3.12Å; M91-T186 HydrophobicContact CG-CG2 4.24Å; M91-Y187 CarbonylContact C-O 3.58Å; M91-Y187 VanDerWaalsContact CA-O 3.28Å; M91-Y187 WeakPolarHBondContact CA-O 3.5Å; M91-Y187 VanDerWaalsContact CG-O 3.31Å; M91-Y187 WeakPolarHBondContact CG-O 3.28Å
92	V	84.6	Confident	65.2	Low	24 Å²	24	68 Å²	68	15%	0.145	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.9	-175.1	-170.5	0	0	0	0	110.2	N90 I94 Y187 A190	N90-V92 PolarHBondContact O-N 3.15Å; N90-V92 WeakPolarHBondContact OD1-CG2 3.41Å; V92-I94 HydrophobicContact CB-CG1 4.24Å; V92-I94 HydrophobicContact CG1-CD1 4.19Å; V92-I94 HydrophobicContact CG1-CG1 3.58Å; V92-Y187 PolarHBondContact N-O 2.99Å; V92-Y187 PolarHBondContact O-N 3.35Å; V92-A190 HydrophobicContact CG2-CB 4.26Å
93	T	88.3	Confident	64.5	Low	76 Å²	76	69.8 Å²	69.8	47%	0.466	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121	159.2	-52.3	0	0	0	0	108.8	V185 T186	T93-V185 WeakPolarHBondContact CA-O 3.36Å; T93-T186 PolarHBondContact OG1-OG1 2.94Å
94	I	84.9	Confident	63.2	Low	10 Å²	10	73.2 Å²	73.2	5%	0.051	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.7	176.8	-52.5	-178.4	0	0	0	107.7	V92 L96 V185 Y187 K196 V200	V92-I94 HydrophobicContact CB-CG1 4.24Å; V92-I94 HydrophobicContact CG1-CD1 4.19Å; V92-I94 HydrophobicContact CG1-CG1 3.58Å; I94-L96 HydrophobicContact CG2-CD2 4Å; I94-L96 HydrophobicContact CG2-CG 4.21Å; I94-V185 PolarHBondContact N-O 3.09Å; I94-V185 PolarHBondContact O-N 2.87Å; I94-Y187 HydrophobicContact CB-CE2 4.28Å; I94-Y187 HydrophobicContact CD1-CD2 4.14Å; I94-Y187 HydrophobicContact CD1-CE2 4Å; I94-Y187 HydrophobicContact CG1-CD2 4.28Å; I94-Y187 HydrophobicContact CG1-CE2 4.22Å; I94-K196 HydrophobicContact CD1-CB 4.48Å; I94-V200 HydrophobicContact CB-CG2 4.34Å; I94-V200 HydrophobicContact CD1-CG2 3.57Å; I94-V200 HydrophobicContact CG2-CG2 3.86Å
95	T	84.9	Confident	61.8	Low	77 Å²	77	77 Å²	77	47%	0.472	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.2	177.3	-58	0	0	0	0	108.7	M182	T95-M182 HydrophobicContact CG2-CB 3.71Å; T95-M182 HydrophobicContact CG2-CE 4.11Å; T95-M182 HydrophobicContact CG2-CG 4.46Å; T95-M182 HydrophobicContact CG2-SD 3.98Å
96	L	75.6	Confident	60.5	Low	42 Å²	42	81.2 Å²	81.2	22%	0.22	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.6	180	-61.1	173.7	0	0	0	109.6	I94 S98 M182 R183 V200	I94-L96 HydrophobicContact CG2-CD2 4Å; I94-L96 HydrophobicContact CG2-CG 4.21Å; L96-S98 PolarHBondContact O-N 3.04Å; L96-M182 CarbonylContact O-C 3.49Å; L96-M182 WeakPolarHBondContact O-CA 3.08Å; L96-R183 PolarHBondContact N-O 3.36Å; L96-R183 PolarHBondContact O-N 3.17Å; L96-V200 HydrophobicContact CD1-CG1 4.08Å; L96-V200 HydrophobicContact CD1-CG2 4.3Å
97	P	72.9	Confident	59.1	Low	76 Å²	76	86.4 Å²	86.4	49%	0.494	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.6	164.8	28	-33.3	0	0	0	108.6	V180 M182	P97-V180 HydrophobicContact CB-CG1 3.72Å; P97-M182 HydrophobicContact CB-CE 4.33Å
98	S	61.8	Low	57.3	Low	37 Å²	37	95 Å²	95	26%	0.259	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-64.8	138.2	176.7	-59	0	0	0	0	109.6	L96 N100 P181	L96-S98 PolarHBondContact O-N 3.04Å; S98-N100 PolarHBondContact O-N 2.68Å; S98-N100 VanDerWaalsContact O-N 3.16Å; S98-P181 WeakPolarHBondContact CB-O 3.19Å; S98-P181 PolarHBondContact N-O 3.37Å; S98-P181 PolarHBondContact OG-O 2.86Å
99	P	51.5	Low	55.6	Low	119 Å²	119	94 Å²	94	77%	0.773	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-59.9	122	164.2	27	-32.4	0	0	0	107.4	T101	P99-T101 PolarHBondContact O-N 2.69Å
100	N	41.5	Very low	54	Low	109 Å²	109	98 Å²	98	58%	0.583	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-52.9	129.4	-176.3	-94.4	-3.5	0	0	0	110.5	S98 A102	S98-N100 PolarHBondContact O-N 2.68Å; S98-N100 VanDerWaalsContact O-N 3.16Å; N100-A102 PolarHBondContact O-N 2.83Å
101	T	39.8	Very low	51.6	Low	129 Å²	129	101.2 Å²	101.2	79%	0.791	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-48.5	128	158.1	-48.9	0	0	0	0	107.5	P99 Y103	P99-T101 PolarHBondContact O-N 2.69Å; T101-Y103 PolarHBondContact O-N 2.85Å
102	A	34.7	Very low	49	Very low	88 Å²	88	100.4 Å²	100.4	73%	0.727	62%	0.615	S	S	*	*			trans	-57.7	114.7	-174.8	0	0	0	0	0	110.1	N100 T104	N100-A102 PolarHBondContact O-N 2.83Å; A102-T104 PolarHBondContact O-N 2.69Å
103	Y	32	Very low	46.2	Very low	194 Å²	194	108.2 Å²	108.2	76%	0.761	65%	0.653	S	S	*	*			trans	-67.8	103.5	173	-81.2	-86.5	0	0	0	108.3	T101 V105	T101-Y103 PolarHBondContact O-N 2.85Å; Y103-V105 PolarHBondContact O-N 3.46Å
104	T	31.9	Very low	43.4	Very low	131 Å²	131	110.4 Å²	110.4	80%	0.804	67%	0.665	S	S	*	*			trans	-58.7	106.8	174.4	-51.2	0	0	0	0	109.3	A102 P106	A102-T104 PolarHBondContact O-N 2.69Å; T104-P106 WeakPolarHBondContact O-CD 3.47Å
105	V	30.6	Very low	40.9	Very low	125 Å²	125	114.8 Å²	114.8	76%	0.758	70%	0.695	S	S	*	*			trans	-68.2	121	172.8	-179.9	0	0	0	0	108.1	Y103	Y103-V105 PolarHBondContact O-N 3.46Å
106	P	32.1	Very low	38.2	Very low	102 Å²	102	117.5 Å²	117.5	66%	0.662	71%	0.713	S	S	*	*			trans	-67	136.8	173.9	-17	31.3	0	0	0	109.9	T104 M108	T104-P106 WeakPolarHBondContact O-CD 3.47Å; P106-M108 PolarHBondContact O-N 3.11Å; P106-M108 VanDerWaalsContact O-N 3.16Å
107	P	33.7	Very low	36	Very low	132 Å²	132	120.6 Å²	120.6	86%	0.857	74%	0.739	S	S	*	*			trans	-69.4	113.4	175.7	28.1	-33	0	0	0	110
108	M	30.2	Very low	34.9	Very low	189 Å²	189	122.4 Å²	122.4	93%	0.931	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-75.1	158.9	161.1	-87.7	-164.4	162.2	0	0	110.8	P106	P106-M108 PolarHBondContact O-N 3.11Å; P106-M108 VanDerWaalsContact O-N 3.16Å
109	A	31.1	Very low	33.3	Very low	102 Å²	102	127.1 Å²	127.1	84%	0.843	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.6	157.7	-156	0	0	0	0	0	115.6
110	S	30.3	Very low	32.2	Very low	106 Å²	106	126 Å²	126	74%	0.741	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.2	158.6	-176.3	-45.2	0	0	0	0	115.1
111	S	28.1	Very low	31.6	Very low	128 Å²	128	125 Å²	125	90%	0.895	79%	0.786	S	S	*	*			trans	-136.6	134.7	143.2	-78.5	0	0	0	0	109.1
112	T	28.2	Very low	30.9	Very low	112 Å²	112	129.6 Å²	129.6	69%	0.687	79%	0.79	S	S	*	*			trans	-106.1	133.4	-158	-47.3	0	0	0	0	111.9	V114	T112-V114 HydrophobicContact CG2-CG2 3.98Å
113	M	26.3	Very low	30.6	Very low	189 Å²	189	129.1 Å²	129.1	93%	0.931	79%	0.786	S	S	*	*			trans	-137.3	147.5	146	-82.8	-151.2	156.4	0	0	110.5
114	V	30.2	Very low	30.3	Very low	121 Å²	121	128.8 Å²	128.8	73%	0.733	79%	0.792	S	S	*	*			trans	-110.5	129.6	-160.6	177.2	0	0	0	0	110.9	T112	T112-V114 HydrophobicContact CG2-CG2 3.98Å
115	P	30.7	Very low	31.1	Very low	103 Å²	103	128.1 Å²	128.1	67%	0.669	79%	0.789	S	S	*	*			trans	-84.1	138.1	164	33.5	-31.2	0	0	0	110.9
116	P	29.2	Very low	30.9	Very low	133 Å²	133	127.2 Å²	127.2	86%	0.864	80%	0.795	S	S	*	*			trans	-79.6	120.6	174.1	30.6	-32.5	0	0	0	112.1
117	S	30.2	Very low	30.7	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	80%	0.801	S	S	*	*			trans	-105.3	-174.2	158.7	-52.6	0	0	0	0	108.1
118	P	48.4	Very low	30.4	Very low	114 Å²	114	129 Å²	129	74%	0.74	80%	0.801	S	S	*	*			cis	-136.1	174.7	-9	42	-26.8	0	0	0	114.9
119	T	28	Very low	30.3	Very low	136 Å²	136	125.3 Å²	125.3	83%	0.834	79%	0.794	S	S	*	*			trans	-164.6	117.3	133.8	22.6	0	0	0	0	107.3
120	A	29.5	Very low	31.1	Very low	94 Å²	94	126.4 Å²	126.4	78%	0.777	79%	0.793	S	S	*	*				79.7	132.1	78.6	0	0	0	0	0	113.1
121	A	27.4	Very low	30.9	Very low	89 Å²	89	125 Å²	125	74%	0.736	80%	0.795	S	S	*	*			cis	-164.3	163.3	-4	0	0	0	0	0	113.9
122	Y	26.9	Very low	31.8	Very low	225 Å²	225	125 Å²	125	88%	0.882	79%	0.792	S	S	*	*			trans	63	99.2	148.2	-95.5	-107.2	0	0	0	124.4
123	A	26.7	Very low	31.9	Very low	78 Å²	78	125.9 Å²	125.9	65%	0.645	80%	0.797	S	S	*	*				47.1	105.8	116.2	0	0	0	0	0	125.4
124	Q	25.6	Very low	32.6	Very low	188 Å²	188	122 Å²	122	88%	0.879	79%	0.786	S	S	*	*				59	-172.1	126.4	-52.8	-156.1	-61.7	0	0	120.7
125	P	48.9	Very low	32.6	Very low	117 Å²	117	124.4 Å²	124.4	76%	0.76	79%	0.793	S	S	*	*				-133.6	164.8	-87.6	42	-25.9	0	0	0	116.4
126	A	27.3	Very low	32.4	Very low	106 Å²	106	123 Å²	123	88%	0.876	80%	0.797	S	S	*	*			trans	-156.4	157.7	162.5	0	0	0	0	0	114.2
127	V	27.5	Very low	32.4	Very low	129 Å²	129	122.4 Å²	122.4	78%	0.782	80%	0.796	S	S	*	*			trans	-103.1	150.3	-176.8	-76.2	0	0	0	0	113.2
128	T	27.3	Very low	33.2	Very low	142 Å²	142	123.4 Å²	123.4	87%	0.871	80%	0.8	S	S	*	*				162.6	164.1	127	38.8	0	0	0	0	113.3
129	S	29.4	Very low	32.3	Very low	112 Å²	112	123 Å²	123	78%	0.783	81%	0.806	S	S	*	*			trans	-129.5	-173.5	-178.1	-37.2	0	0	0	0	109.2
130	P	46.4	Very low	32.3	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	81%	0.81	S	S	*	*			cis	-141.3	152.6	-8	37.9	-18.6	0	0	0	117.8
131	G	27.1	Very low	32.2	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	81%	0.809	S	S	*	*			trans	70.5	178.3	150.4	0	0	0	0	0	119.6
132	P	45.5	Very low	32.2	Very low	127 Å²	127	131.1 Å²	131.1	83%	0.825	82%	0.819	S	S	*	*			cis	-125.1	-175.5	-0.5	42.2	-27.3	0	0	0	116.4
133	V	31	Very low	32.2	Very low	131 Å²	131	124.4 Å²	124.4	79%	0.794	82%	0.818	S	S	*	*			trans	-41.6	163.2	172	-86.4	0	0	0	0	117.8
134	P	41.3	Very low	32.3	Very low	108 Å²	108	130.5 Å²	130.5	70%	0.701	83%	0.83	S	S	*	*			cis	-150.9	162.5	39.4	41.4	-19.4	0	0	0	122.8
135	I	29.2	Very low	32.9	Very low	172 Å²	172	126.7 Å²	126.7	88%	0.882	82%	0.822	S	S	*	*			trans	49.1	124.8	139	-58.5	164.9	0	0	0	120.7
136	G	28.4	Very low	31.7	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	83%	0.826	S	S	*	*			trans	177.9	113.9	158.5	0	0	0	0	0	115.8
137	S	28.3	Very low	31.7	Very low	122 Å²	122	130 Å²	130	85%	0.853	82%	0.822	S	S	*	*			trans	-158.3	165.5	175.3	-66.8	0	0	0	0	109.4
138	P	46.5	Very low	31.5	Very low	129 Å²	129	132.1 Å²	132.1	84%	0.838	83%	0.828	S	S	*	*			cis	-126	-175.3	-18.7	40.1	-25	0	0	0	112.6
139	A	29.8	Very low	31.4	Very low	105 Å²	105	129.4 Å²	129.4	87%	0.868	82%	0.815	S	S	*	*			trans	-150.4	151.9	161.9	0	0	0	0	0	112.4
140	Q	27.3	Very low	31.2	Very low	197 Å²	197	130.6 Å²	130.6	92%	0.921	82%	0.817	S	S	*	*			trans	-122.8	139.9	180	-60.8	172	-76.1	0	0	112.1
141	A	27.9	Very low	30.3	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	82%	0.816	S	S	*	*			trans	-174.5	119.8	146.4	0	0	0	0	0	106.9
142	Q	27.9	Very low	30.2	Very low	202 Å²	202	136.1 Å²	136.1	94%	0.944	82%	0.821	S	S	*	*				57.9	108.8	69.4	-65.9	-161.6	-3.2	0	0	114.1
143	G	27.6	Very low	29.1	Very low	84 Å²	84	135.3 Å²	135.3	87%	0.866	81%	0.814	S	S	*	*			trans	-177.8	89.7	-179.7	0	0	0	0	0	113.8
144	K	27.2	Very low	28.8	Very low	206 Å²	206	135.1 Å²	135.1	90%	0.896	81%	0.813	S	S	*	*			trans	-126.2	164.1	161	-105.4	-173.2	178.2	-178.4	0	106
145	P	39.3	Very low	27.9	Very low	108 Å²	108	135.7 Å²	135.7	70%	0.701	82%	0.815	S	S	*	*			cis	-139.1	-154.9	18	30.3	-4.3	0	0	0	113.7
146	L	24	Very low	28.3	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	81%	0.806	S	S	*	*			trans	106.5	158	154.7	-67.9	166.9	0	0	0	118.9
147	V	26.3	Very low	28	Very low	130 Å²	130	136.5 Å²	136.5	79%	0.788	82%	0.815	S	S	*	*			trans	-143.7	144	-152.3	177.2	0	0	0	0	108.5
148	L	23.1	Very low	27.9	Very low	172 Å²	172	140.3 Å²	140.3	90%	0.901	82%	0.816	S	S	*	*			trans	-146.9	155.5	152.4	-152.3	63.2	0	0	0	111.2
149	S	26	Very low	26.9	Very low	86 Å²	86	138.9 Å²	138.9	60%	0.601	82%	0.815	S	S	*	*			trans	-124.9	153.6	-177.7	179.9	0	0	0	0	110.2
150	T	26.3	Very low	26.7	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	82%	0.816	S	S	*	*			trans	-141.3	131.5	171.8	48.4	0	0	0	0	111
151	H	26.3	Very low	26.7	Very low	167 Å²	167	141.7 Å²	141.7	77%	0.773	81%	0.812	S	S	*	*			trans	-102.8	150.6	-179.9	-65.5	-112.7	0	0	0	112.2
152	V	25	Very low	26.5	Very low	151 Å²	151	143.6 Å²	143.6	92%	0.915	82%	0.815	S	S	*	*			trans	-144.2	160.8	155	-170.6	0	0	0	0	109.1
153	T	23	Very low	26.4	Very low	110 Å²	110	139 Å²	139	68%	0.675	80%	0.802	S	S	*	*			trans	-150.4	133.9	-143	-41.7	0	0	0	0	115
154	V	24.3	Very low	26.2	Very low	127 Å²	127	141.1 Å²	141.1	77%	0.77	80%	0.798	S	S	*	*			trans	58.6	136.9	144.6	169.8	0	0	0	0	121.9
155	T	22.8	Very low	26	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	79%	0.791	S	S	*	*			cis	-149.9	-69.6	-24.8	29.8	0	0	0	0	116.8
156	P	36.5	Very low	25.5	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	80%	0.795	S	S	*	*			trans	-135.5	154.3	-133.4	39	-21.2	0	0	0	120
157	V	23.4	Very low	25.6	Very low	153 Å²	153	135.6 Å²	135.6	93%	0.927	79%	0.791	S	S	*	*			trans	-137	155.9	157.1	-175.6	0	0	0	0	110.4
158	K	25	Very low	25.9	Very low	203 Å²	203	136.5 Å²	136.5	88%	0.883	80%	0.796	S	S	*	*			trans	-78.6	157.3	-166.9	-72.7	176.5	175.3	173	0	115.9
159	A	26.1	Very low	26.2	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	79%	0.785	S	S	*	*			trans	-83	172	167.2	0	0	0	0	0	113.3
160	N	25.3	Very low	26.4	Very low	169 Å²	169	133.1 Å²	133.1	90%	0.904	79%	0.787	S	S	*	*			trans	-126.8	154.4	160.9	-130.1	-9.2	0	0	0	109.9
161	K	26.7	Very low	26.6	Very low	192 Å²	192	131.7 Å²	131.7	84%	0.835	79%	0.79	S	S	*	*			trans	-114.3	178.7	-173	-88.4	-171.4	174.8	-176.8	0	112.3
162	V	24.2	Very low	26.8	Very low	132 Å²	132	130 Å²	130	80%	0.8	79%	0.786	S	S	*	*			trans	94.9	134.8	152.9	-170.7	0	0	0	0	114.9
163	P	25.8	Very low	27.3	Very low	106 Å²	106	127.3 Å²	127.3	69%	0.688	78%	0.78	S	S	*	*			cis	-127	173	-18.5	35.5	-17.8	0	0	0	115.6
164	V	23.6	Very low	27.9	Very low	128 Å²	128	128.2 Å²	128.2	78%	0.776	79%	0.785	S	S	*	*			trans	23.1	127	136.1	-169.6	0	0	0	0	117.3
165	T	23.9	Very low	28.6	Very low	122 Å²	122	127.4 Å²	127.4	75%	0.748	78%	0.782	S	S	*	*				-155.2	147.4	62.2	-43.5	0	0	0	0	112.7
166	A	28.1	Very low	29.6	Very low	94 Å²	94	127.1 Å²	127.1	78%	0.777	78%	0.78	S	S	*	*			trans	-103.3	114.2	169.2	0	0	0	0	0	111.2
167	N	26.1	Very low	30.4	Very low	145 Å²	145	126.3 Å²	126.3	78%	0.775	78%	0.775	S	S	*	*			trans	-102.9	121.3	166.5	-102.9	12.7	0	0	0	109.5	T169	N167-T169 PolarHBondContact O-N 3.21Å
168	V	33	Very low	31.9	Very low	148 Å²	148	128.8 Å²	128.8	90%	0.897	77%	0.773	S	S	*	*			trans	-82.8	105.1	168.9	179	0	0	0	0	108.1
169	T	28.3	Very low	33.5	Very low	109 Å²	109	126.2 Å²	126.2	67%	0.669	77%	0.769	S	S	*	*			trans	-95.5	133.1	170.3	-48.8	0	0	0	0	108.9	N167	N167-T169 PolarHBondContact O-N 3.21Å
170	A	30.8	Very low	35.1	Very low	78 Å²	78	123.4 Å²	123.4	65%	0.645	74%	0.742	S	S	*	*			trans	-61.3	157.8	177.5	0	0	0	0	0	111.9	N172	A170-N172 VanDerWaalsContact C-N 3.34Å; A170-N172 PolarHBondContact O-N 2.96Å
171	A	30.5	Very low	37.4	Very low	107 Å²	107	119.3 Å²	119.3	88%	0.884	72%	0.724	S	S	*	*			trans	-66.7	90.3	174.3	0	0	0	0	0	110.5	A173	A171-A173 PolarHBondContact O-N 3.12Å; A171-A173 VanDerWaalsContact O-N 3.07Å
172	N	31.1	Very low	39.7	Very low	132 Å²	132	115.6 Å²	115.6	71%	0.706	71%	0.711	S	S	*	*			trans	-64	108.4	172.4	-78.4	-32.2	0	0	0	109.3	A170 V174	A170-N172 VanDerWaalsContact C-N 3.34Å; A170-N172 PolarHBondContact O-N 2.96Å; N172-V174 PolarHBondContact O-N 2.71Å; N172-V174 VanDerWaalsContact O-N 3.07Å
173	A	35.5	Very low	42.4	Very low	94 Å²	94	117.3 Å²	117.3	78%	0.777	70%	0.703	S	S	*	*			trans	-59.1	112.2	161.5	0	0	0	0	0	107.7	A171 P175	A171-A173 PolarHBondContact O-N 3.12Å; A171-A173 VanDerWaalsContact O-N 3.07Å; A173-P175 VanDerWaalsContact O-CD 3.28Å; A173-P175 WeakPolarHBondContact O-CD 3.35Å
174	V	34.8	Very low	45.3	Very low	128 Å²	128	115.9 Å²	115.9	78%	0.776	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.4	119.9	-178.1	178.9	0	0	0	0	108.4	N172 V176	N172-V174 PolarHBondContact O-N 2.71Å; N172-V174 VanDerWaalsContact O-N 3.07Å; V174-V176 PolarHBondContact O-N 3.44Å
175	P	39.8	Very low	48.4	Very low	111 Å²	111	110.9 Å²	110.9	72%	0.721	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-62.2	121.6	177.2	-22	33.9	0	0	0	109.5	A173 P177	A173-P175 VanDerWaalsContact O-CD 3.28Å; A173-P175 WeakPolarHBondContact O-CD 3.35Å; P175-P177 WeakPolarHBondContact O-CD 3.25Å
176	V	43.4	Very low	51.7	Low	113 Å²	113	107.5 Å²	107.5	69%	0.685	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-60.6	124.7	173.6	-178.7	0	0	0	0	107.8	V174 V180	V174-V176 PolarHBondContact O-N 3.44Å; V176-V180 HydrophobicContact CG1-CG2 4.12Å
177	P	53.3	Low	54.7	Low	90 Å²	90	103.9 Å²	103.9	58%	0.584	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-57.3	141.1	176.8	-24.5	34.1	0	0	0	110.8	P175 D179 V180	P175-P177 WeakPolarHBondContact O-CD 3.25Å; P177-D179 PolarHBondContact O-N 3.19Å; P177-D179 VanDerWaalsContact O-N 3.08Å; P177-V180 HydrophobicContact CB-CG2 4.13Å; P177-V180 HydrophobicContact CG-CG2 4.3Å; P177-V180 PolarHBondContact O-N 2.91Å
178	K	54.5	Low	57.7	Low	205 Å²	205	98.9 Å²	98.9	89%	0.891	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-18.1	-173.9	-68.3	-175.2	177.2	-179.4	0	113.8
179	D	59.8	Low	60.5	Low	149 Å²	149	92.3 Å²	92.3	80%	0.797	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	25.9	-171.3	-51	-74.8	0	0	0	113.3	P177 P181	P177-D179 PolarHBondContact O-N 3.19Å; P177-D179 VanDerWaalsContact O-N 3.08Å; D179-P181 WeakPolarHBondContact O-CD 3.42Å
180	V	59.7	Low	63.4	Low	40 Å²	40	87.2 Å²	87.2	24%	0.242	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-71	119.5	169.3	177.7	0	0	0	0	109.3	P97 V176 P177 M182	P97-V180 HydrophobicContact CB-CG1 3.72Å; V176-V180 HydrophobicContact CG1-CG2 4.12Å; P177-V180 HydrophobicContact CB-CG2 4.13Å; P177-V180 HydrophobicContact CG-CG2 4.3Å; P177-V180 PolarHBondContact O-N 2.91Å; V180-M182 WeakPolarHBondContact O-CG 3.35Å; V180-M182 PolarHBondContact O-N 3.02Å; V180-M182 VanDerWaalsContact O-N 3.11Å
181	P	72.8	Confident	66.2	Low	82 Å²	82	83.6 Å²	83.6	53%	0.532	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-61.9	116.8	-180	-22.7	34.3	0	0	0	110.8	S98 D179	S98-P181 WeakPolarHBondContact CB-O 3.19Å; S98-P181 PolarHBondContact N-O 3.37Å; S98-P181 PolarHBondContact OG-O 2.86Å; D179-P181 WeakPolarHBondContact O-CD 3.42Å
182	M	74.9	Confident	68.8	Low	115 Å²	115	82.4 Å²	82.4	57%	0.567	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	132	-177.6	-56.8	-145.9	85.4	0	0	111.5	T95 L96 P97 V180	T95-M182 HydrophobicContact CG2-CB 3.71Å; T95-M182 HydrophobicContact CG2-CE 4.11Å; T95-M182 HydrophobicContact CG2-CG 4.46Å; T95-M182 HydrophobicContact CG2-SD 3.98Å; L96-M182 CarbonylContact O-C 3.49Å; L96-M182 WeakPolarHBondContact O-CA 3.08Å; P97-M182 HydrophobicContact CB-CE 4.33Å; V180-M182 WeakPolarHBondContact O-CG 3.35Å; V180-M182 PolarHBondContact O-N 3.02Å; V180-M182 VanDerWaalsContact O-N 3.11Å
183	R	80.9	Confident	71.4	Confident	168 Å²	168	77.7 Å²	77.7	63%	0.634	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.8	174.3	-178.1	177.3	178.4	173.6	0.4	109.6	L96 V185	L96-R183 PolarHBondContact N-O 3.36Å; L96-R183 PolarHBondContact O-N 3.17Å; R183-V185 HydrophobicContact CG-CG2 4.21Å
184	S	85.8	Confident	73.6	Confident	76 Å²	76	78.6 Å²	78.6	53%	0.531	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.2	164.7	49.1	0	0	0	0	110.7
185	V	90.1	Very high	76	Confident	23 Å²	23	76.4 Å²	76.4	14%	0.139	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.8	170.4	-176.7	0	0	0	0	107.7	T93 I94 R183 Y187 V213	T93-V185 WeakPolarHBondContact CA-O 3.36Å; I94-V185 PolarHBondContact N-O 3.09Å; I94-V185 PolarHBondContact O-N 2.87Å; R183-V185 HydrophobicContact CG-CG2 4.21Å; V185-Y187 HydrophobicContact CB-CE2 4.03Å; V185-Y187 HydrophobicContact CG1-CD1 4.46Å; V185-Y187 HydrophobicContact CG1-CD2 4.33Å; V185-Y187 HydrophobicContact CG1-CE1 3.96Å; V185-Y187 HydrophobicContact CG1-CE2 3.79Å; V185-V213 HydrophobicContact CG1-CG1 3.94Å; V185-V213 HydrophobicContact CG1-CG2 4.34Å
186	T	92.3	Very high	78.2	Confident	50 Å²	50	76.8 Å²	76.8	31%	0.307	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.3	172.4	-58.2	0	0	0	0	109.3	M91 T93 A214	M91-T186 HydrophobicContact CG-CG2 4.24Å; T93-T186 PolarHBondContact OG1-OG1 2.94Å; T186-A214 HydrophobicContact CG2-CB 4.09Å; T186-A214 WeakPolarHBondContact O-CB 3.46Å; T186-A214 PolarHBondContact O-N 3.19Å
187	Y	91.1	Very high	80.4	Confident	18 Å²	18	77.5 Å²	77.5	7%	0.071	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.4	170.4	-55.6	-88.4	0	0	0	108.7	M91 V92 I94 V185 W189 I203 P212 V213	M91-Y187 CarbonylContact C-O 3.58Å; M91-Y187 VanDerWaalsContact CA-O 3.28Å; M91-Y187 WeakPolarHBondContact CA-O 3.5Å; M91-Y187 VanDerWaalsContact CG-O 3.31Å; M91-Y187 WeakPolarHBondContact CG-O 3.28Å; V92-Y187 PolarHBondContact N-O 2.99Å; V92-Y187 PolarHBondContact O-N 3.35Å; I94-Y187 HydrophobicContact CB-CE2 4.28Å; I94-Y187 HydrophobicContact CD1-CD2 4.14Å; I94-Y187 HydrophobicContact CD1-CE2 4Å; I94-Y187 HydrophobicContact CG1-CD2 4.28Å; I94-Y187 HydrophobicContact CG1-CE2 4.22Å; V185-Y187 HydrophobicContact CB-CE2 4.03Å; V185-Y187 HydrophobicContact CG1-CD1 4.46Å; V185-Y187 HydrophobicContact CG1-CD2 4.33Å; V185-Y187 HydrophobicContact CG1-CE1 3.96Å; V185-Y187 HydrophobicContact CG1-CE2 3.79Å; Y187-W189 WeakPolarHBondContact CB-O 3.39Å; Y187-W189 PolarHBondContact O-N 2.89Å; Y187-I203 HydrophobicContact CD1-CD1 3.57Å; Y187-I203 HydrophobicContact CD1-CG2 4Å; Y187-I203 HydrophobicContact CD2-CD1 4.34Å; Y187-I203 HydrophobicContact CE1-CB 4.32Å; Y187-I203 HydrophobicContact CE1-CD1 3.86Å; Y187-I203 HydrophobicContact CE1-CG2 3.67Å; Y187-I203 HydrophobicContact CG-CD1 3.81Å; Y187-P212 CarbonylContact C-O 3.56Å; Y187-P212 VanDerWaalsContact CA-O 3.27Å; Y187-P212 WeakPolarHBondContact CA-O 3.48Å; Y187-V213 HydrophobicContact CD1-CG2 3.8Å; Y187-V213 HydrophobicContact CE1-CG2 3.66Å
188	E	89.3	Confident	82.2	Confident	41 Å²	41	74 Å²	74	19%	0.192	39%	0.394	C	S	.	.	S	Bend	trans	-66.1	-21	174.1	-76.7	-179.5	-146	0	0	112	P212 A214 A219 R223	E188-P212 PolarHBondContact N-O 2.93Å; E188-A214 HydrophobicContact CG-CB 4.01Å; E188-A219 HydrophobicContact CG-CB 4.32Å; E188-A219 VanDerWaalsContact OE1-CB 3.29Å; E188-A219 WeakPolarHBondContact OE1-CB 3.49Å; E188-R223 IonicContact OE1-NH1 3.73Å; E188-R223 PolarHBondContact OE1-NH1 2.87Å; E188-R223 IonicContact OE2-CZ 2.92Å; E188-R223 IonicContact OE2-NH1 2.65Å; E188-R223 PolarHBondContact OE2-NH1 2.99Å
189	W	92	Very high	83.9	Confident	10 Å²	10	64.4 Å²	64.4	4%	0.038	35%	0.353	C	S	.	.			trans	-154.1	146.6	169.5	179.3	99.6	0	0	0	110.9	Y87 N90 Y187 P191 Y202 P212 D376 M377	Y87-W189 PolarHBondContact OH-NE1 2.92Å; Y87-W189 VanDerWaalsContact OH-NE1 3.17Å; N90-W189 CarbonylContact O-C 3.51Å; N90-W189 WeakPolarHBondContact O-CA 3.49Å; Y187-W189 WeakPolarHBondContact CB-O 3.39Å; Y187-W189 PolarHBondContact O-N 2.89Å; W189-P191 HydrophobicContact CH2-CB 3.91Å; W189-P191 HydrophobicContact CZ3-CB 4.42Å; W189-Y202 HydrophobicContact CH2-CE1 4.32Å; W189-Y202 AromaticContact CZ3-CE1 3.92Å; W189-Y202 HydrophobicContact CZ3-CE1 3.92Å; W189-P212 HydrophobicContact CE3-CG 4.47Å; W189-P212 VanDerWaalsContact O-CG 3.23Å; W189-P212 WeakPolarHBondContact O-CG 3.43Å; W189-D376 HydrophobicContact CD2-CB 4.3Å; W189-D376 HydrophobicContact CZ2-CB 3.9Å; W189-D376 WeakPolarHBondContact CZ2-O 3.36Å; W189-D376 VanDerWaalsContact NE1-CG 3.26Å; W189-D376 PolarHBondContact NE1-OD2 3.49Å; W189-M377 HydrophobicContact CH2-CE 3.76Å; W189-M377 HydrophobicContact CH2-CG 3.8Å; W189-M377 HydrophobicContact CH2-SD 3.98Å; W189-M377 HydrophobicContact CZ2-CE 3.9Å; W189-M377 HydrophobicContact CZ2-CG 4.29Å
190	A	90	Very high	85.5	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	32%	0.317	C	S	.	.			trans	-138.3	153.9	169.5	0	0	0	0	0	109.9	N90 V92 A199 I203	N90-A190 WeakPolarHBondContact CB-O 3.48Å; N90-A190 PolarHBondContact ND2-O 3.46Å; N90-A190 PolarHBondContact O-N 2.86Å; V92-A190 HydrophobicContact CG2-CB 4.26Å; A190-A199 HydrophobicContact CB-CB 4.38Å; A190-I203 HydrophobicContact CB-CD1 4.03Å
191	P	89.6	Confident	87.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.013	32%	0.322	C	S	.	.			trans	-61.3	143.5	176.3	27.7	-36.5	0	0	0	110.9	N90 W189 V193 A199 Y202 V268 M377	N90-P191 PolarHBondContact ND2-O 3.19Å; W189-P191 HydrophobicContact CH2-CB 3.91Å; W189-P191 HydrophobicContact CZ3-CB 4.42Å; P191-V193 HydrophobicContact CB-CG1 4.46Å; P191-V193 HydrophobicContact CG-CG2 4.46Å; P191-V193 PolarHBondContact O-N 2.84Å; P191-A199 HydrophobicContact CG-CB 4.04Å; P191-Y202 HydrophobicContact CB-CD1 4.47Å; P191-Y202 HydrophobicContact CG-CD1 3.71Å; P191-Y202 HydrophobicContact CG-CE1 4.38Å; P191-Y202 HydrophobicContact CG-CG 3.9Å; P191-V268 HydrophobicContact CB-CB 4.11Å; P191-V268 HydrophobicContact CB-CG2 3.77Å; P191-V268 HydrophobicContact CG-CG1 4.48Å; P191-V268 HydrophobicContact CG-CG2 4.36Å; P191-M377 HydrophobicContact CB-CE 3.66Å; P191-M377 HydrophobicContact CB-SD 4.19Å
192	P	84.6	Confident	88.2	Confident	82 Å²	82	56.9 Å²	56.9	53%	0.532	30%	0.299	S	S	.	.			trans	-78.7	68.2	-174.8	33.1	-36.3	0	0	0	112
193	V	85.5	Confident	89.2	Confident	34 Å²	34	51.5 Å²	51.5	21%	0.206	27%	0.273	C	S	.	.			trans	-109.8	146.7	-179.7	-63.4	0	0	0	0	112.2	P191 N195 L198 A199 V268	P191-V193 HydrophobicContact CB-CG1 4.46Å; P191-V193 HydrophobicContact CG-CG2 4.46Å; P191-V193 PolarHBondContact O-N 2.84Å; V193-N195 VanDerWaalsContact C-N 3.34Å; V193-N195 WeakPolarHBondContact CG2-O 2.88Å; V193-N195 PolarHBondContact O-N 2.9Å; V193-L198 HydrophobicContact CB-CD2 4.47Å; V193-L198 HydrophobicContact CG1-CD2 4.37Å; V193-L198 HydrophobicContact CG2-CB 4.31Å; V193-A199 HydrophobicContact CG2-CB 3.68Å; V193-V268 HydrophobicContact CG1-CB 3.75Å; V193-V268 HydrophobicContact CG1-CG1 4.15Å; V193-V268 WeakPolarHBondContact CG1-O 3.28Å
194	A	80.6	Confident	89.9	Confident	113 Å²	113	47.6 Å²	47.6	93%	0.934	26%	0.261	S	S	*	.	S	Bend	trans	-65	-36.2	179.2	0	0	0	0	0	112.9	K196	A194-K196 PolarHBondContact O-N 2.84Å
195	N	86.6	Confident	90.4	Very high	81 Å²	81	46.1 Å²	46.1	43%	0.433	25%	0.247	S	C	.	.			trans	-88.9	105.3	177.8	-176.8	0.1	0	0	0	111.1	V193 H197 L198 A199	V193-N195 VanDerWaalsContact C-N 3.34Å; V193-N195 WeakPolarHBondContact CG2-O 2.88Å; V193-N195 PolarHBondContact O-N 2.9Å; N195-H197 PolarHBondContact O-N 2.88Å; N195-H197 VanDerWaalsContact O-N 3.15Å; N195-H197 WeakPolarHBondContact OD1-CB 3.48Å; N195-H197 PolarHBondContact OD1-N 2.76Å; N195-H197 PolarHBondContact OD1-ND1 3.47Å; N195-L198 HydrophobicContact CB-CB 4.06Å; N195-L198 VanDerWaalsContact O-CB 3.32Å; N195-L198 WeakPolarHBondContact O-CB 3.37Å; N195-L198 PolarHBondContact O-N 2.96Å; N195-A199 PolarHBondContact O-N 2.8Å
196	K	86.4	Confident	90.7	Very high	120 Å²	120	45.6 Å²	45.6	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-26.7	177.7	-66.9	-171.7	177.9	-175.1	0	114	I94 A194 A199 V200	I94-K196 HydrophobicContact CD1-CB 4.48Å; A194-K196 PolarHBondContact O-N 2.84Å; K196-A199 WeakPolarHBondContact O-CB 3.31Å; K196-A199 PolarHBondContact O-N 2.84Å; K196-V200 WeakPolarHBondContact O-CG2 3.47Å; K196-V200 PolarHBondContact O-N 2.9Å
197	H	87.9	Confident	91	Very high	127 Å²	127	45 Å²	45	59%	0.588	24%	0.24	S	C	*	.	H	α-helix	trans	-71	-34.1	175.2	-57	97.8	0	0	0	112	N195 A199 V200 R201	N195-H197 PolarHBondContact O-N 2.88Å; N195-H197 VanDerWaalsContact O-N 3.15Å; N195-H197 WeakPolarHBondContact OD1-CB 3.48Å; N195-H197 PolarHBondContact OD1-N 2.76Å; N195-H197 PolarHBondContact OD1-ND1 3.47Å; H197-A199 VanDerWaalsContact C-N 3.31Å; H197-V200 PolarHBondContact O-N 3.47Å; H197-R201 WeakPolarHBondContact O-CB 3.49Å; H197-R201 PolarHBondContact O-N 2.86Å
198	L	91.3	Very high	91.2	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-38.2	173	-167.5	69.8	0	0	0	110.6	V193 N195 R201 Y202 V268 L270 P347	V193-L198 HydrophobicContact CB-CD2 4.47Å; V193-L198 HydrophobicContact CG1-CD2 4.37Å; V193-L198 HydrophobicContact CG2-CB 4.31Å; N195-L198 HydrophobicContact CB-CB 4.06Å; N195-L198 VanDerWaalsContact O-CB 3.32Å; N195-L198 WeakPolarHBondContact O-CB 3.37Å; N195-L198 PolarHBondContact O-N 2.96Å; L198-R201 PolarHBondContact O-N 2.93Å; L198-Y202 WeakPolarHBondContact O-CB 3.49Å; L198-Y202 PolarHBondContact O-N 3.15Å; L198-V268 HydrophobicContact CD2-CG1 4.38Å; L198-V268 HydrophobicContact CG-CG1 4.3Å; L198-L270 HydrophobicContact CD1-CD2 3.54Å; L198-L270 HydrophobicContact CD1-CG 3.89Å; L198-P347 HydrophobicContact CD1-CB 3.75Å; L198-P347 HydrophobicContact CD1-CG 4.24Å; L198-P347 HydrophobicContact CG-CB 4.23Å
199	A	91.6	Very high	91.4	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-44.8	173	0	0	0	0	0	112.7	A190 P191 V193 N195 K196 H197 Y202 I203	A190-A199 HydrophobicContact CB-CB 4.38Å; P191-A199 HydrophobicContact CG-CB 4.04Å; V193-A199 HydrophobicContact CG2-CB 3.68Å; N195-A199 PolarHBondContact O-N 2.8Å; K196-A199 WeakPolarHBondContact O-CB 3.31Å; K196-A199 PolarHBondContact O-N 2.84Å; H197-A199 VanDerWaalsContact C-N 3.31Å; A199-Y202 PolarHBondContact O-N 2.88Å; A199-I203 WeakPolarHBondContact O-CG1 3.27Å; A199-I203 PolarHBondContact O-N 2.88Å; A199-I203 VanDerWaalsContact O-N 3.17Å
200	V	92.3	Very high	91.6	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-50.4	173.1	172.7	0	0	0	0	110.3	I94 L96 K196 H197 Y202 I203 E204	I94-V200 HydrophobicContact CB-CG2 4.34Å; I94-V200 HydrophobicContact CD1-CG2 3.57Å; I94-V200 HydrophobicContact CG2-CG2 3.86Å; L96-V200 HydrophobicContact CD1-CG1 4.08Å; L96-V200 HydrophobicContact CD1-CG2 4.3Å; K196-V200 WeakPolarHBondContact O-CG2 3.47Å; K196-V200 PolarHBondContact O-N 2.9Å; H197-V200 PolarHBondContact O-N 3.47Å; V200-Y202 VanDerWaalsContact C-N 3.29Å; V200-Y202 PolarHBondContact O-N 3.31Å; V200-I203 PolarHBondContact O-N 3.15Å; V200-E204 HydrophobicContact CG1-CG 4.23Å; V200-E204 WeakPolarHBondContact O-CG 3.42Å; V200-E204 PolarHBondContact O-N 3.39Å
201	R	94.6	Very high	91.9	Very high	94 Å²	94	55.6 Å²	55.6	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-36.3	-177.2	-171.2	60.9	-176.1	171.5	1.8	112.5	H197 L198 E204 L205 E346 P347	H197-R201 WeakPolarHBondContact O-CB 3.49Å; H197-R201 PolarHBondContact O-N 2.86Å; L198-R201 PolarHBondContact O-N 2.93Å; R201-E204 VanDerWaalsContact CD-OE2 3.28Å; R201-E204 WeakPolarHBondContact CD-OE2 3.23Å; R201-E204 IonicContact CZ-OE2 3.56Å; R201-E204 IonicContact NE-OE2 2.7Å; R201-E204 IonicContact NH1-OE2 3.61Å; R201-E204 PolarHBondContact NH1-OE2 2.76Å; R201-E204 PolarHBondContact O-N 2.94Å; R201-L205 HydrophobicContact CG-CD1 4.42Å; R201-L205 WeakPolarHBondContact O-CG 3.34Å; R201-L205 PolarHBondContact O-N 2.87Å; R201-L205 VanDerWaalsContact O-N 3.12Å; R201-E346 IonicContact CZ-OE1 2.99Å; R201-E346 IonicContact NE-OE1 3.73Å; R201-E346 IonicContact NH2-OE1 3.87Å; R201-E346 PolarHBondContact NH2-OE1 2.94Å; R201-P347 HydrophobicContact CB-CG 4.22Å; R201-P347 HydrophobicContact CG-CG 4.07Å
202	Y	95.6	Very high	92.1	Very high	11 Å²	11	55.8 Å²	55.8	4%	0.043	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-48.1	171.5	172.6	-88.4	0	0	0	111.4	W189 P191 L198 A199 V200 L205 L206 V268 V349 P362 M377	W189-Y202 HydrophobicContact CH2-CE1 4.32Å; W189-Y202 AromaticContact CZ3-CE1 3.92Å; W189-Y202 HydrophobicContact CZ3-CE1 3.92Å; P191-Y202 HydrophobicContact CB-CD1 4.47Å; P191-Y202 HydrophobicContact CG-CD1 3.71Å; P191-Y202 HydrophobicContact CG-CE1 4.38Å; P191-Y202 HydrophobicContact CG-CG 3.9Å; L198-Y202 WeakPolarHBondContact O-CB 3.49Å; L198-Y202 PolarHBondContact O-N 3.15Å; A199-Y202 PolarHBondContact O-N 2.88Å; V200-Y202 VanDerWaalsContact C-N 3.29Å; V200-Y202 PolarHBondContact O-N 3.31Å; Y202-L205 PolarHBondContact O-N 2.92Å; Y202-L206 HydrophobicContact CE1-CD1 3.95Å; Y202-L206 HydrophobicContact CE1-CD2 4.27Å; Y202-L206 HydrophobicContact CE1-CG 4.25Å; Y202-L206 PolarHBondContact O-N 2.65Å; Y202-V268 HydrophobicContact CD2-CG1 3.9Å; Y202-V268 HydrophobicContact CD2-CG2 3.71Å; Y202-V268 HydrophobicContact CE2-CG2 3.84Å; Y202-V268 HydrophobicContact CG-CG1 4.26Å; Y202-V268 HydrophobicContact CG-CG2 4.38Å; Y202-V349 HydrophobicContact CD2-CG2 4.42Å; Y202-V349 HydrophobicContact CE2-CG2 3.58Å; Y202-P362 HydrophobicContact CD2-CB 3.7Å; Y202-P362 HydrophobicContact CD2-CG 3.52Å; Y202-P362 HydrophobicContact CE2-CB 3.5Å; Y202-P362 VanDerWaalsContact CE2-CB 3.5Å; Y202-P362 HydrophobicContact CE2-CG 3.76Å; Y202-P362 HydrophobicContact CG-CB 4.41Å; Y202-P362 HydrophobicContact CG-CG 4.34Å; Y202-M377 HydrophobicContact CE2-SD 4.15Å
203	I	95.7	Very high	92.5	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-68.9	-35.1	-179.6	-61.9	169.4	0	0	0	111.5	Y187 A190 A199 V200 L205 L206 R211	Y187-I203 HydrophobicContact CD1-CD1 3.57Å; Y187-I203 HydrophobicContact CD1-CG2 4Å; Y187-I203 HydrophobicContact CD2-CD1 4.34Å; Y187-I203 HydrophobicContact CE1-CB 4.32Å; Y187-I203 HydrophobicContact CE1-CD1 3.86Å; Y187-I203 HydrophobicContact CE1-CG2 3.67Å; Y187-I203 HydrophobicContact CG-CD1 3.81Å; A190-I203 HydrophobicContact CB-CD1 4.03Å; A199-I203 WeakPolarHBondContact O-CG1 3.27Å; A199-I203 PolarHBondContact O-N 2.88Å; A199-I203 VanDerWaalsContact O-N 3.17Å; V200-I203 PolarHBondContact O-N 3.15Å; I203-L205 VanDerWaalsContact C-N 3.26Å; I203-L205 PolarHBondContact O-N 2.85Å; I203-L206 WeakPolarHBondContact O-CB 3.49Å; I203-L206 PolarHBondContact O-N 3.21Å; I203-R211 HydrophobicContact CG2-CB 3.95Å; I203-R211 HydrophobicContact CG2-CG 4.03Å; I203-R211 VanDerWaalsContact O-CD 3.3Å; I203-R211 WeakPolarHBondContact O-CD 3.4Å; I203-R211 WeakPolarHBondContact O-CG 3.36Å; I203-R211 PolarHBondContact O-NE 2.82Å; I203-R211 VanDerWaalsContact O-NE 3.12Å
204	E	94.9	Very high	92.7	Very high	85 Å²	85	54 Å²	54	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-36.1	171.4	-72.3	179.3	171.5	0	0	112.5	V200 R201 L206 R211	V200-E204 HydrophobicContact CG1-CG 4.23Å; V200-E204 WeakPolarHBondContact O-CG 3.42Å; V200-E204 PolarHBondContact O-N 3.39Å; R201-E204 VanDerWaalsContact CD-OE2 3.28Å; R201-E204 WeakPolarHBondContact CD-OE2 3.23Å; R201-E204 IonicContact CZ-OE2 3.56Å; R201-E204 IonicContact NE-OE2 2.7Å; R201-E204 IonicContact NH1-OE2 3.61Å; R201-E204 PolarHBondContact NH1-OE2 2.76Å; R201-E204 PolarHBondContact O-N 2.94Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.37Å; E204-R211 PolarHBondContact O-NH2 3.16Å
205	L	96.1	Very high	93	Very high	45 Å²	45	52.3 Å²	52.3	24%	0.236	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.1	178.8	-67.3	174.7	0	0	0	114	R201 Y202 I203 E346 P347 P362	R201-L205 HydrophobicContact CG-CD1 4.42Å; R201-L205 WeakPolarHBondContact O-CG 3.34Å; R201-L205 PolarHBondContact O-N 2.87Å; R201-L205 VanDerWaalsContact O-N 3.12Å; Y202-L205 PolarHBondContact O-N 2.92Å; I203-L205 VanDerWaalsContact C-N 3.26Å; I203-L205 PolarHBondContact O-N 2.85Å; L205-E346 HydrophobicContact CD1-CB 4.01Å; L205-E346 HydrophobicContact CD1-CG 4.2Å; L205-P347 HydrophobicContact CD1-CG 4.1Å; L205-P362 HydrophobicContact CB-CB 4.1Å; L205-P362 HydrophobicContact CB-CG 3.85Å; L205-P362 HydrophobicContact CD1-CG 4.36Å
206	L	97.4	Very high	93.1	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.068	28%	0.279	C	S	.	.	S	Bend	trans	-83	151.1	163.8	-59.5	-179.6	0	0	0	110.9	Y202 I203 E204 R211 P362 L373	Y202-L206 HydrophobicContact CE1-CD1 3.95Å; Y202-L206 HydrophobicContact CE1-CD2 4.27Å; Y202-L206 HydrophobicContact CE1-CG 4.25Å; Y202-L206 PolarHBondContact O-N 2.65Å; I203-L206 WeakPolarHBondContact O-CB 3.49Å; I203-L206 PolarHBondContact O-N 3.21Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.37Å; L206-R211 HydrophobicContact CB-CG 4.14Å; L206-R211 PolarHBondContact O-NE 3.08Å; L206-R211 PolarHBondContact O-NH2 2.81Å; L206-P362 HydrophobicContact CD2-CB 3.72Å; L206-P362 HydrophobicContact CG-CB 4.47Å; L206-L373 HydrophobicContact CD2-CD1 4.26Å
207	P	97.2	Very high	93.3	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	29%	0.287	C	S	.	.			trans	-53	133.7	172.4	-24.8	34.9	0	0	0	111.3	E209 K210 R211 A363	P207-E209 VanDerWaalsContact C-N 3.27Å; P207-E209 WeakPolarHBondContact CB-OE1 3.43Å; P207-E209 PolarHBondContact O-N 3.09Å; P207-E209 VanDerWaalsContact O-N 3.15Å; P207-K210 HydrophobicContact CB-CB 4.33Å; P207-K210 HydrophobicContact CB-CD 4.49Å; P207-K210 HydrophobicContact CB-CG 4.39Å; P207-K210 HydrophobicContact CG-CD 4.45Å; P207-K210 WeakPolarHBondContact O-CA 3.45Å; P207-K210 PolarHBondContact O-N 2.91Å; P207-R211 WeakPolarHBondContact O-CG 3.47Å; P207-R211 PolarHBondContact O-N 2.95Å; P207-A363 HydrophobicContact CG-CB 4.38Å
208	P	95.7	Very high	93.4	Very high	87 Å²	87	46.8 Å²	46.8	57%	0.565	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-51.5	-42.2	-171.3	-28.3	34.6	0	0	0	114.6	K210 R211	P208-K210 PolarHBondContact O-N 3.41Å; P208-R211 PolarHBondContact O-N 2.86Å
209	E	94.4	Very high	93.3	Very high	92 Å²	92	46 Å²	46	43%	0.43	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-72.9	-7.7	179.9	75.2	-64.5	160.4	0	0	114.3	P207 G218	P207-E209 VanDerWaalsContact C-N 3.27Å; P207-E209 WeakPolarHBondContact CB-OE1 3.43Å; P207-E209 PolarHBondContact O-N 3.09Å; P207-E209 VanDerWaalsContact O-N 3.15Å; E209-G218 WeakPolarHBondContact O-CA 3.48Å; E209-G218 PolarHBondContact O-N 3.17Å
210	K	95.8	Very high	93	Very high	40 Å²	40	47.8 Å²	47.8	17%	0.174	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-113.3	4.8	177.8	-62.1	-171.6	172.6	-167.2	0	113.3	P207 P208 Y221 E372 L373	P207-K210 HydrophobicContact CB-CB 4.33Å; P207-K210 HydrophobicContact CB-CD 4.49Å; P207-K210 HydrophobicContact CB-CG 4.39Å; P207-K210 HydrophobicContact CG-CD 4.45Å; P207-K210 WeakPolarHBondContact O-CA 3.45Å; P207-K210 PolarHBondContact O-N 2.91Å; P208-K210 PolarHBondContact O-N 3.41Å; K210-Y221 HydrophobicContact CB-CD1 3.74Å; K210-Y221 HydrophobicContact CB-CE1 3.64Å; K210-Y221 HydrophobicContact CB-CG 4.43Å; K210-Y221 HydrophobicContact CD-CD1 4.49Å; K210-Y221 HydrophobicContact CD-CD2 4.43Å; K210-Y221 HydrophobicContact CD-CE1 3.91Å; K210-Y221 HydrophobicContact CD-CE2 3.81Å; K210-Y221 HydrophobicContact CG-CD1 3.86Å; K210-Y221 HydrophobicContact CG-CD2 4.17Å; K210-Y221 HydrophobicContact CG-CE1 3.74Å; K210-Y221 HydrophobicContact CG-CE2 4.03Å; K210-Y221 HydrophobicContact CG-CG 4.11Å; K210-E372 IonicContact NZ-OE1 3.6Å; K210-E372 PolarHBondContact NZ-OE1 2.87Å; K210-E372 IonicContact NZ-OE2 3.23Å; K210-E372 PolarHBondContact NZ-OE2 3.01Å; K210-L373 HydrophobicContact CB-CD1 3.88Å; K210-L373 HydrophobicContact CD-CD1 3.82Å; K210-L373 HydrophobicContact CD-CG 4.36Å; K210-L373 HydrophobicContact CG-CD1 4.45Å
211	R	95.9	Very high	92.9	Very high	75 Å²	75	49.6 Å²	49.6	28%	0.283	28%	0.277	S	S	.	.			trans	-76.9	127.5	178.9	-64.1	-177.9	-174.1	148.6	0.5	111.4	I203 E204 L206 P207 P208 V213 G218	I203-R211 HydrophobicContact CG2-CB 3.95Å; I203-R211 HydrophobicContact CG2-CG 4.03Å; I203-R211 VanDerWaalsContact O-CD 3.3Å; I203-R211 WeakPolarHBondContact O-CD 3.4Å; I203-R211 WeakPolarHBondContact O-CG 3.36Å; I203-R211 PolarHBondContact O-NE 2.82Å; I203-R211 VanDerWaalsContact O-NE 3.12Å; E204-R211 PolarHBondContact O-NH2 3.16Å; L206-R211 HydrophobicContact CB-CG 4.14Å; L206-R211 PolarHBondContact O-NE 3.08Å; L206-R211 PolarHBondContact O-NH2 2.81Å; P207-R211 WeakPolarHBondContact O-CG 3.47Å; P207-R211 PolarHBondContact O-N 2.95Å; P208-R211 PolarHBondContact O-N 2.86Å; R211-V213 HydrophobicContact CB-CG2 4.4Å; R211-V213 PolarHBondContact O-N 3.45Å; R211-G218 CarbonylContact O-C 3.6Å; R211-G218 WeakPolarHBondContact O-CA 3.21Å
212	P	93.9	Very high	92.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.032	26%	0.264	C	S	.	.			trans	-78	46.6	-174.3	34.2	-39	0	0	0	113.9	Y187 E188 W189 R222	Y187-P212 CarbonylContact C-O 3.56Å; Y187-P212 VanDerWaalsContact CA-O 3.27Å; Y187-P212 WeakPolarHBondContact CA-O 3.48Å; E188-P212 PolarHBondContact N-O 2.93Å; W189-P212 HydrophobicContact CE3-CG 4.47Å; W189-P212 VanDerWaalsContact O-CG 3.23Å; W189-P212 WeakPolarHBondContact O-CG 3.43Å; P212-R222 HydrophobicContact CB-CB 4.26Å
213	V	93.1	Very high	92.3	Very high	37 Å²	37	48.6 Å²	48.6	22%	0.224	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-74	127.6	174.2	-179.6	0	0	0	0	109	V185 Y187 R211 G215 T216 A219	V185-V213 HydrophobicContact CG1-CG1 3.94Å; V185-V213 HydrophobicContact CG1-CG2 4.34Å; Y187-V213 HydrophobicContact CD1-CG2 3.8Å; Y187-V213 HydrophobicContact CE1-CG2 3.66Å; R211-V213 HydrophobicContact CB-CG2 4.4Å; R211-V213 PolarHBondContact O-N 3.45Å; V213-G215 PolarHBondContact O-N 3.46Å; V213-T216 HydrophobicContact CB-CG2 3.8Å; V213-T216 HydrophobicContact CG1-CG2 3.82Å; V213-T216 WeakPolarHBondContact O-CB 3.38Å; V213-T216 WeakPolarHBondContact O-CG2 3.44Å; V213-T216 PolarHBondContact O-N 3.06Å; V213-T216 VanDerWaalsContact O-N 3.1Å; V213-T216 PolarHBondContact O-OG1 2.91Å; V213-A219 WeakPolarHBondContact O-CB 3.48Å
214	A	90.1	Very high	91.8	Very high	42 Å²	42	51.3 Å²	51.3	35%	0.347	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	134.1	-174.7	0	0	0	0	0	112.4	T186 E188 T216	T186-A214 HydrophobicContact CG2-CB 4.09Å; T186-A214 WeakPolarHBondContact O-CB 3.46Å; T186-A214 PolarHBondContact O-N 3.19Å; E188-A214 HydrophobicContact CG-CB 4.01Å; A214-T216 VanDerWaalsContact C-N 3.29Å; A214-T216 PolarHBondContact O-N 3.47Å
215	G	86.6	Confident	91.6	Very high	78 Å²	78	47.7 Å²	47.7	80%	0.804	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	7.1	-178.3	0	0	0	0	0	115.9	V213	V213-G215 PolarHBondContact O-N 3.46Å
216	T	89.9	Confident	91.2	Very high	60 Å²	60	45.8 Å²	45.8	37%	0.368	26%	0.259	S	S	.	.	S	Bend	trans	-103.6	166.3	177.3	71.7	0	0	0	0	113.1	V213 A214 G218 A219 A220	V213-T216 HydrophobicContact CB-CG2 3.8Å; V213-T216 HydrophobicContact CG1-CG2 3.82Å; V213-T216 WeakPolarHBondContact O-CB 3.38Å; V213-T216 WeakPolarHBondContact O-CG2 3.44Å; V213-T216 PolarHBondContact O-N 3.06Å; V213-T216 VanDerWaalsContact O-N 3.1Å; V213-T216 PolarHBondContact O-OG1 2.91Å; A214-T216 VanDerWaalsContact C-N 3.29Å; A214-T216 PolarHBondContact O-N 3.47Å; T216-G218 PolarHBondContact O-N 3.4Å; T216-G218 PolarHBondContact OG1-N 2.82Å; T216-A219 PolarHBondContact O-N 3.41Å; T216-A219 VanDerWaalsContact O-N 3.11Å; T216-A220 PolarHBondContact O-N 3.28Å; T216-A220 VanDerWaalsContact O-N 3.16Å
217	Q	88.7	Confident	90.6	Very high	150 Å²	150	47.3 Å²	47.3	70%	0.701	27%	0.267	S	S	*	.	H	α-helix	trans	-54.3	-36.8	172.1	-175.7	179.5	2.4	0	0	112.4	A219 A220 Y221	Q217-A219 VanDerWaalsContact C-N 3.31Å; Q217-A219 PolarHBondContact O-N 3Å; Q217-A220 WeakPolarHBondContact O-CB 3.29Å; Q217-A220 PolarHBondContact O-N 3.03Å; Q217-Y221 WeakPolarHBondContact O-CB 3.44Å; Q217-Y221 PolarHBondContact O-N 3.36Å
218	G	91.5	Very high	90.1	Very high	1 Å²	1	49 Å²	49	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-70	-25.8	179.9	0	0	0	0	0	114	E209 R211 T216 R222	E209-G218 WeakPolarHBondContact O-CA 3.48Å; E209-G218 PolarHBondContact O-N 3.17Å; R211-G218 CarbonylContact O-C 3.6Å; R211-G218 WeakPolarHBondContact O-CA 3.21Å; T216-G218 PolarHBondContact O-N 3.4Å; T216-G218 PolarHBondContact OG1-N 2.82Å; G218-R222 PolarHBondContact O-N 3.12Å
219	A	89.7	Confident	90	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-74.8	-39.8	168.2	0	0	0	0	0	112.6	E188 V213 T216 Q217 Y221 R222 R223	E188-A219 HydrophobicContact CG-CB 4.32Å; E188-A219 VanDerWaalsContact OE1-CB 3.29Å; E188-A219 WeakPolarHBondContact OE1-CB 3.49Å; V213-A219 WeakPolarHBondContact O-CB 3.48Å; T216-A219 PolarHBondContact O-N 3.41Å; T216-A219 VanDerWaalsContact O-N 3.11Å; Q217-A219 VanDerWaalsContact C-N 3.31Å; Q217-A219 PolarHBondContact O-N 3Å; A219-Y221 VanDerWaalsContact C-N 3.33Å; A219-R222 PolarHBondContact O-N 3.31Å; A219-R223 WeakPolarHBondContact O-CB 3.42Å; A219-R223 WeakPolarHBondContact O-CG 3.4Å; A219-R223 PolarHBondContact O-N 3.19Å
220	A	84.8	Confident	89.8	Confident	43 Å²	43	40.9 Å²	40.9	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-41.4	171.8	0	0	0	0	0	111.8	T216 Q217 R223 H224	T216-A220 PolarHBondContact O-N 3.28Å; T216-A220 VanDerWaalsContact O-N 3.16Å; Q217-A220 WeakPolarHBondContact O-CB 3.29Å; Q217-A220 PolarHBondContact O-N 3.03Å; A220-R223 WeakPolarHBondContact O-CB 3.46Å; A220-R223 PolarHBondContact O-N 3.46Å; A220-H224 WeakPolarHBondContact O-CB 3.38Å; A220-H224 PolarHBondContact O-N 2.89Å
221	Y	90.3	Very high	89.4	Confident	45 Å²	45	39.4 Å²	39.4	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-50	170.8	162.9	-90.9	0	0	0	111.5	K210 Q217 A219 R223 H224 Q225 E372 L373	K210-Y221 HydrophobicContact CB-CD1 3.74Å; K210-Y221 HydrophobicContact CB-CE1 3.64Å; K210-Y221 HydrophobicContact CB-CG 4.43Å; K210-Y221 HydrophobicContact CD-CD1 4.49Å; K210-Y221 HydrophobicContact CD-CD2 4.43Å; K210-Y221 HydrophobicContact CD-CE1 3.91Å; K210-Y221 HydrophobicContact CD-CE2 3.81Å; K210-Y221 HydrophobicContact CG-CD1 3.86Å; K210-Y221 HydrophobicContact CG-CD2 4.17Å; K210-Y221 HydrophobicContact CG-CE1 3.74Å; K210-Y221 HydrophobicContact CG-CE2 4.03Å; K210-Y221 HydrophobicContact CG-CG 4.11Å; Q217-Y221 WeakPolarHBondContact O-CB 3.44Å; Q217-Y221 PolarHBondContact O-N 3.36Å; A219-Y221 VanDerWaalsContact C-N 3.33Å; Y221-R223 VanDerWaalsContact C-N 3.3Å; Y221-R223 PolarHBondContact O-N 2.79Å; Y221-H224 PolarHBondContact O-N 3.17Å; Y221-Q225 HydrophobicContact CD1-CG 4.44Å; Y221-Q225 HydrophobicContact CD2-CG 3.93Å; Y221-Q225 HydrophobicContact CE1-CG 4.06Å; Y221-Q225 HydrophobicContact CE2-CG 3.53Å; Y221-Q225 HydrophobicContact CG-CG 4.36Å; Y221-Q225 WeakPolarHBondContact O-CB 3.15Å; Y221-Q225 WeakPolarHBondContact O-CG 3.18Å; Y221-Q225 PolarHBondContact O-N 3.12Å; Y221-Q225 PolarHBondContact OH-NE2 3.44Å; Y221-Q225 VanDerWaalsContact OH-NE2 3.08Å; Y221-E372 WeakPolarHBondContact CE2-OE2 3.07Å; Y221-E372 PolarHBondContact OH-OE2 2.92Å; Y221-L373 HydrophobicContact CE1-CD1 4.39Å
222	R	91.2	Very high	88.9	Confident	22 Å²	22	37.9 Å²	37.9	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-46.3	177.1	-179.3	-167	156.4	-85.1	-10.5	111.3	P212 G218 A219 Q225 M226 V375 D376	P212-R222 HydrophobicContact CB-CB 4.26Å; G218-R222 PolarHBondContact O-N 3.12Å; A219-R222 PolarHBondContact O-N 3.31Å; R222-Q225 PolarHBondContact O-N 3.44Å; R222-M226 PolarHBondContact NH2-SD 3.18Å; R222-M226 WeakPolarHBondContact O-CG 3.46Å; R222-M226 PolarHBondContact O-N 3.36Å; R222-V375 HydrophobicContact CG-CG2 4.15Å; R222-D376 WeakPolarHBondContact CD-OD1 3.28Å; R222-D376 IonicContact CZ-OD1 2.78Å; R222-D376 IonicContact CZ-OD2 3.95Å; R222-D376 IonicContact NE-OD1 2.69Å; R222-D376 PolarHBondContact NE-OD1 2.72Å; R222-D376 IonicContact NE-OD2 2.68Å; R222-D376 PolarHBondContact NE-OD2 2.64Å; R222-D376 IonicContact NH2-OD1 2.71Å; R222-D376 IonicContact NH2-OD2 2.65Å; R222-D376 PolarHBondContact NH2-OD2 2.96Å
223	R	85.3	Confident	88.6	Confident	63 Å²	63	38.7 Å²	38.7	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-57.4	-56.5	178.6	-81.8	-163.2	-48.7	-91.1	4.4	111.9	N60 E188 A219 A220 Y221 Q225 M226 D227	N60-R223 HydrophobicContact CB-CG 4.25Å; N60-R223 WeakPolarHBondContact OD1-CA 3.18Å; N60-R223 WeakPolarHBondContact OD1-CB 3.43Å; N60-R223 VanDerWaalsContact OD1-CG 3.29Å; N60-R223 WeakPolarHBondContact OD1-CG 3.47Å; N60-R223 PolarHBondContact OD1-O 3.3Å; E188-R223 IonicContact OE1-NH1 3.73Å; E188-R223 PolarHBondContact OE1-NH1 2.87Å; E188-R223 IonicContact OE2-CZ 2.92Å; E188-R223 IonicContact OE2-NH1 2.65Å; E188-R223 PolarHBondContact OE2-NH1 2.99Å; A219-R223 WeakPolarHBondContact O-CB 3.42Å; A219-R223 WeakPolarHBondContact O-CG 3.4Å; A219-R223 PolarHBondContact O-N 3.19Å; A220-R223 WeakPolarHBondContact O-CB 3.46Å; A220-R223 PolarHBondContact O-N 3.46Å; Y221-R223 VanDerWaalsContact C-N 3.3Å; Y221-R223 PolarHBondContact O-N 2.79Å; R223-Q225 PolarHBondContact O-N 2.68Å; R223-Q225 VanDerWaalsContact O-N 3.16Å; R223-M226 WeakPolarHBondContact O-CB 3.49Å; R223-M226 PolarHBondContact O-N 2.64Å; R223-D227 PolarHBondContact O-N 3.1Å
224	H	85.5	Confident	88.5	Confident	58 Å²	58	37.2 Å²	37.2	27%	0.269	21%	0.208	S	C	.	.	H	α-helix	trans	-52.4	-39.2	173.4	-179.4	95.1	0	0	0	113	A49 A220 Y221 R228	A49-H224 PolarHBondContact O-CE1 2.74Å; A49-H224 PolarHBondContact O-NE2 3.19Å; A220-H224 WeakPolarHBondContact O-CB 3.38Å; A220-H224 PolarHBondContact O-N 2.89Å; Y221-H224 PolarHBondContact O-N 3.17Å; H224-R228 WeakPolarHBondContact O-CB 3.5Å; H224-R228 PolarHBondContact O-N 3.03Å
225	Q	90.4	Very high	88.5	Confident	9 Å²	9	35.8 Å²	35.8	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-74.5	-24.3	180	-66.9	-76.4	67.5	0	0	113.7	Y221 R222 R223 Q229 E372 V375	Y221-Q225 HydrophobicContact CD1-CG 4.44Å; Y221-Q225 HydrophobicContact CD2-CG 3.93Å; Y221-Q225 HydrophobicContact CE1-CG 4.06Å; Y221-Q225 HydrophobicContact CE2-CG 3.53Å; Y221-Q225 HydrophobicContact CG-CG 4.36Å; Y221-Q225 WeakPolarHBondContact O-CB 3.15Å; Y221-Q225 WeakPolarHBondContact O-CG 3.18Å; Y221-Q225 PolarHBondContact O-N 3.12Å; Y221-Q225 PolarHBondContact OH-NE2 3.44Å; Y221-Q225 VanDerWaalsContact OH-NE2 3.08Å; R222-Q225 PolarHBondContact O-N 3.44Å; R223-Q225 PolarHBondContact O-N 2.68Å; R223-Q225 VanDerWaalsContact O-N 3.16Å; Q225-Q229 WeakPolarHBondContact O-CB 3.4Å; Q225-Q229 WeakPolarHBondContact O-CG 3.21Å; Q225-Q229 PolarHBondContact O-N 2.88Å; Q225-E372 PolarHBondContact NE2-OE2 2.88Å; Q225-V375 HydrophobicContact CB-CB 4.09Å; Q225-V375 HydrophobicContact CB-CG2 3.9Å
226	M	88.3	Confident	88.5	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-57	170.6	-69.1	-106.2	77.9	0	0	109.1	V63 Y87 R222 R223 R228 Q229 L230 V375 D376 I378	V63-M226 HydrophobicContact CG1-CE 4.39Å; Y87-M226 HydrophobicContact CD1-SD 4.34Å; R222-M226 PolarHBondContact NH2-SD 3.18Å; R222-M226 WeakPolarHBondContact O-CG 3.46Å; R222-M226 PolarHBondContact O-N 3.36Å; R223-M226 WeakPolarHBondContact O-CB 3.49Å; R223-M226 PolarHBondContact O-N 2.64Å; M226-R228 PolarHBondContact O-N 2.82Å; M226-Q229 PolarHBondContact O-N 3.01Å; M226-L230 HydrophobicContact CE-CD1 3.87Å; M226-L230 PolarHBondContact O-N 3.39Å; M226-V375 HydrophobicContact CE-CB 4.34Å; M226-V375 HydrophobicContact CE-CG1 3.66Å; M226-V375 HydrophobicContact CE-CG2 3.85Å; M226-V375 HydrophobicContact CG-CG2 3.94Å; M226-D376 HydrophobicContact CE-CB 4.24Å; M226-I378 HydrophobicContact CE-CD1 3.92Å
227	D	83.6	Confident	88.5	Confident	45 Å²	45	30.8 Å²	30.8	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-40.9	-175.5	-54.7	-19.8	0	0	0	111.7	M55 R223	M55-D227 VanDerWaalsContact CG-OD2 3.29Å; M55-D227 WeakPolarHBondContact CG-OD2 3.38Å; R223-D227 PolarHBondContact O-N 3.1Å
228	R	87.4	Confident	88.3	Confident	72 Å²	72	27.5 Å²	27.5	27%	0.272	14%	0.142	S	C	.	.	H	α-helix	trans	-69.6	-31.9	178.8	-172.2	177.7	-176.7	88.5	13.8	113.3	A49 E50 H224 M226 R390	A49-R228 HydrophobicContact CB-CB 4.2Å; A49-R228 HydrophobicContact CB-CG 4.04Å; A49-R228 PolarHBondContact O-NH1 3.47Å; E50-R228 IonicContact OE1-CZ 3.76Å; E50-R228 IonicContact OE1-NH1 2.98Å; E50-R228 PolarHBondContact OE1-NH1 2.86Å; E50-R228 IonicContact OE1-NH2 2.64Å; E50-R228 PolarHBondContact OE1-NH2 3.5Å; H224-R228 WeakPolarHBondContact O-CB 3.5Å; H224-R228 PolarHBondContact O-N 3.03Å; M226-R228 PolarHBondContact O-N 2.82Å; R228-R390 WeakPolarHBondContact O-CB 3.42Å; R228-R390 WeakPolarHBondContact O-CD 3.47Å
229	Q	93.1	Very high	88.1	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-95.8	-27.6	-176.9	-66.3	-171.2	34	0	0	113.8	Q225 M226 L373 V375 C388 G389 R390	Q225-Q229 WeakPolarHBondContact O-CB 3.4Å; Q225-Q229 WeakPolarHBondContact O-CG 3.21Å; Q225-Q229 PolarHBondContact O-N 2.88Å; M226-Q229 PolarHBondContact O-N 3.01Å; Q229-L373 PolarHBondContact NE2-O 3.44Å; Q229-V375 HydrophobicContact CB-CG1 3.85Å; Q229-V375 HydrophobicContact CG-CG1 4.35Å; Q229-V375 VanDerWaalsContact OE1-N 3.09Å; Q229-C388 HydrophobicContact CB-CB 3.86Å; Q229-C388 HydrophobicContact CG-CB 3.78Å; Q229-C388 VanDerWaalsContact OE1-CB 3.25Å; Q229-G389 CarbonylContact O-C 3.58Å; Q229-G389 WeakPolarHBondContact O-CA 3.38Å; Q229-G389 PolarHBondContact O-N 2.97Å; Q229-G389 VanDerWaalsContact O-N 3.12Å; Q229-R390 PolarHBondContact O-N 3.15Å
230	L	90.4	Very high	87.9	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	-131.9	57.9	-175	-53.8	175.8	0	0	0	112.1	V63 L66 M226 E232 Q235 V375 I378 F380	V63-L230 HydrophobicContact CG1-CD1 4.16Å; L66-L230 HydrophobicContact CD2-CD1 4.14Å; L66-L230 HydrophobicContact CD2-CD2 3.92Å; M226-L230 HydrophobicContact CE-CD1 3.87Å; M226-L230 PolarHBondContact O-N 3.39Å; L230-E232 PolarHBondContact O-N 2.96Å; L230-Q235 PolarHBondContact O-NE2 3.08Å; L230-V375 HydrophobicContact CD1-CG1 4.17Å; L230-V375 HydrophobicContact CG-CG1 4.36Å; L230-I378 HydrophobicContact CD1-CB 4.25Å; L230-I378 HydrophobicContact CD1-CD1 3.55Å; L230-I378 HydrophobicContact CD1-CG1 4.5Å; L230-I378 HydrophobicContact CD1-CG2 4.01Å; L230-I378 HydrophobicContact CD2-CG2 4.05Å; L230-F380 HydrophobicContact CD2-CE2 3.78Å; L230-F380 HydrophobicContact CD2-CZ 4.31Å
231	P	87.1	Confident	87.7	Confident	9 Å²	9	32.7 Å²	32.7	6%	0.058	16%	0.159	C	C	.	.			trans	-57.3	139.4	-177.2	-19.3	30.4	0	0	0	111.9	H233 D234 Q235 R390	P231-H233 PolarHBondContact O-N 2.75Å; P231-D234 HydrophobicContact CB-CB 4.48Å; P231-D234 PolarHBondContact O-N 2.81Å; P231-D234 VanDerWaalsContact O-N 3.11Å; P231-Q235 PolarHBondContact O-NE2 3.26Å; P231-R390 HydrophobicContact CG-CG 4.5Å
232	E	85.8	Confident	87.1	Confident	42 Å²	42	37.7 Å²	37.7	20%	0.196	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-57.6	-37.6	177.4	-64.8	-159.1	-103	0	0	111.7	K62 L230 D234 Q235 D236 K239	K62-E232 VanDerWaalsContact CB-CD 3.5Å; K62-E232 HydrophobicContact CB-CG 3.99Å; K62-E232 WeakPolarHBondContact CD-OE1 3.45Å; K62-E232 WeakPolarHBondContact O-CG 3.4Å; L230-E232 PolarHBondContact O-N 2.96Å; E232-D234 VanDerWaalsContact C-N 3.26Å; E232-D234 PolarHBondContact O-N 3.43Å; E232-Q235 PolarHBondContact O-N 3.19Å; E232-Q235 VanDerWaalsContact O-N 3.07Å; E232-D236 PolarHBondContact O-N 3.41Å; E232-K239 HydrophobicContact CB-CB 4.21Å; E232-K239 HydrophobicContact CB-CG 4.01Å; E232-K239 IonicContact OE1-NZ 3.17Å; E232-K239 PolarHBondContact OE1-NZ 2.98Å; E232-K239 IonicContact OE2-NZ 2.68Å; E232-K239 PolarHBondContact OE2-NZ 2.82Å
233	H	88	Confident	87	Confident	23 Å²	23	38 Å²	38	11%	0.106	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-75	-6.5	-179.3	65.1	-111.8	0	0	0	114.8	K39 P231 K239 C240 M251 D404 E405	K39-H233 PolarHBondContact NZ-ND1 3.25Å; P231-H233 PolarHBondContact O-N 2.75Å; H233-K239 HydrophobicContact CB-CB 4.21Å; H233-K239 VanDerWaalsContact CB-O 3.31Å; H233-K239 WeakPolarHBondContact CB-O 3.46Å; H233-C240 PolarHBondContact O-SG 3.46Å; H233-M251 WeakPolarHBondContact O-CE 3.29Å; H233-D404 IonicContact CE1-OD2 2.73Å; H233-D404 PolarHBondContact NE2-O 3.31Å; H233-D404 IonicContact NE2-OD2 3.81Å; H233-E405 HydrophobicContact CB-CG 4.08Å
234	D	91.6	Very high	87.3	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.027	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-82.4	-6.2	167.6	-79.5	13	0	0	0	111.2	P231 E232 Y254 R399 L406	P231-D234 HydrophobicContact CB-CB 4.48Å; P231-D234 PolarHBondContact O-N 2.81Å; P231-D234 VanDerWaalsContact O-N 3.11Å; E232-D234 VanDerWaalsContact C-N 3.26Å; E232-D234 PolarHBondContact O-N 3.43Å; D234-Y254 WeakPolarHBondContact O-CE1 3.39Å; D234-R399 IonicContact OD1-CZ 3.24Å; D234-R399 IonicContact OD1-NH1 3.2Å; D234-R399 PolarHBondContact OD1-NH1 3.35Å; D234-R399 IonicContact OD1-NH2 3.3Å; D234-R399 IonicContact OD2-CZ 3.66Å; D234-R399 IonicContact OD2-NH1 2.67Å; D234-R399 PolarHBondContact OD2-NH1 3.41Å; D234-R399 IonicContact OD2-NH2 2.76Å; D234-R399 PolarHBondContact OD2-NH2 3.42Å; D234-L406 HydrophobicContact CB-CD1 4.3Å
235	Q	88.5	Confident	87.7	Confident	13 Å²	13	39.4 Å²	39.4	6%	0.061	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-28.3	-159.8	-52.9	-177.4	53.4	0	0	115.6	V63 L66 L230 P231 E232 M251 V255	V63-Q235 PolarHBondContact O-OE1 2.8Å; L66-Q235 VanDerWaalsContact CD1-OE1 3.28Å; L230-Q235 PolarHBondContact O-NE2 3.08Å; P231-Q235 PolarHBondContact O-NE2 3.26Å; E232-Q235 PolarHBondContact O-N 3.19Å; E232-Q235 VanDerWaalsContact O-N 3.07Å; Q235-M251 VanDerWaalsContact N-CE 3.28Å; Q235-V255 WeakPolarHBondContact O-CG2 3.47Å
236	D	88.1	Confident	88	Confident	6 Å²	6	42 Å²	42	3%	0.032	23%	0.234	C	C	.	.			trans	-119.5	114.2	175.9	-166	-33.4	0	0	0	110.3	K65 E232 S238 K239	K65-D236 HydrophobicContact CG-CB 4.4Å; K65-D236 IonicContact NZ-OD1 3.45Å; K65-D236 IonicContact NZ-OD2 2.68Å; K65-D236 PolarHBondContact NZ-OD2 2.66Å; E232-D236 PolarHBondContact O-N 3.41Å; D236-S238 PolarHBondContact O-N 3.1Å; D236-S238 WeakPolarHBondContact OD1-CB 3.12Å; D236-S238 PolarHBondContact OD1-N 3.42Å; D236-S238 PolarHBondContact OD1-OG 3.41Å; D236-S238 PolarHBondContact OD2-OG 3.02Å; D236-K239 HydrophobicContact CB-CG 4.07Å; D236-K239 PolarHBondContact O-N 3.27Å
237	P	88.7	Confident	88.3	Confident	26 Å²	26	43 Å²	43	17%	0.169	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-57.3	-21.1	178	-23	31.1	0	0	0	114.5	K239 L243 V248 M251 Q252	P237-K239 PolarHBondContact O-N 2.99Å; P237-L243 HydrophobicContact CB-CD1 4.17Å; P237-V248 HydrophobicContact CB-CB 4.46Å; P237-V248 HydrophobicContact CB-CG1 3.98Å; P237-V248 HydrophobicContact CB-CG2 4.18Å; P237-V248 HydrophobicContact CG-CG1 4.24Å; P237-M251 VanDerWaalsContact CA-SD 3.6Å; P237-M251 HydrophobicContact CB-SD 3.91Å; P237-M251 HydrophobicContact CG-CB 4.26Å; P237-M251 HydrophobicContact CG-CG 4.05Å; P237-M251 HydrophobicContact CG-SD 3.73Å; P237-Q252 HydrophobicContact CG-CG 4.14Å
238	S	85.6	Confident	88.9	Confident	82 Å²	82	42.7 Å²	42.7	57%	0.573	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-74.1	-4.5	174.8	67.8	0	0	0	0	114.2	D236	D236-S238 PolarHBondContact O-N 3.1Å; D236-S238 WeakPolarHBondContact OD1-CB 3.12Å; D236-S238 PolarHBondContact OD1-N 3.42Å; D236-S238 PolarHBondContact OD1-OG 3.41Å; D236-S238 PolarHBondContact OD2-OG 3.02Å
239	K	86	Confident	89.3	Confident	58 Å²	58	45.5 Å²	45.5	25%	0.252	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-110.2	4.3	179.7	-58	-57.7	-176.5	80	0	113.9	E232 H233 D236 P237	E232-K239 HydrophobicContact CB-CB 4.21Å; E232-K239 HydrophobicContact CB-CG 4.01Å; E232-K239 IonicContact OE1-NZ 3.17Å; E232-K239 PolarHBondContact OE1-NZ 2.98Å; E232-K239 IonicContact OE2-NZ 2.68Å; E232-K239 PolarHBondContact OE2-NZ 2.82Å; H233-K239 HydrophobicContact CB-CB 4.21Å; H233-K239 VanDerWaalsContact CB-O 3.31Å; H233-K239 WeakPolarHBondContact CB-O 3.46Å; D236-K239 HydrophobicContact CB-CG 4.07Å; D236-K239 PolarHBondContact O-N 3.27Å; P237-K239 PolarHBondContact O-N 2.99Å
240	C	85.6	Confident	89.4	Confident	21 Å²	21	47.9 Å²	47.9	14%	0.142	26%	0.264	C	S	.	.	S	Bend	trans	-99.9	155.3	177.1	-57.8	0	0	0	0	111.4	H233 L243 E405	H233-C240 PolarHBondContact O-SG 3.46Å; C240-L243 HydrophobicContact CB-CD1 3.47Å; C240-L243 VanDerWaalsContact CB-CD1 3.47Å; C240-L243 HydrophobicContact CB-CD2 4.23Å; C240-L243 HydrophobicContact CB-CG 3.57Å; C240-E405 WeakPolarHBondContact CA-OE1 3.14Å
241	H	81.6	Confident	89.7	Confident	74 Å²	74	47.7 Å²	47.7	34%	0.343	26%	0.263	S	S	.	.	S	Bend	trans	-85.1	122.5	177.3	-67.1	69.2	0	0	0	110.8	K39 L243 E405	K39-H241 VanDerWaalsContact CE-CE1 3.49Å; K39-H241 WeakPolarHBondContact CE-CE1 3.36Å; H241-L243 VanDerWaalsContact C-N 3.32Å; H241-L243 PolarHBondContact O-N 2.84Å; H241-L243 VanDerWaalsContact O-N 3.12Å; H241-E405 IonicContact CE1-OE1 3.84Å; H241-E405 IonicContact CG-OE1 3.94Å; H241-E405 PolarHBondContact N-OE1 3.21Å; H241-E405 PolarHBondContact N-OE2 2.85Å; H241-E405 IonicContact ND1-OE1 2.67Å; H241-E405 PolarHBondContact ND1-OE1 3.28Å; H241-E405 IonicContact ND1-OE2 2.59Å
242	E	77.2	Confident	90	Very high	149 Å²	149	51.6 Å²	51.6	70%	0.696	28%	0.28	S	S	*	.	S	Bend	trans	54.8	27.5	166.9	-54.7	-169.1	153.7	0	0	117.9	S244 K423	E242-S244 PolarHBondContact O-N 2.88Å; E242-K423 IonicContact OE2-NZ 2.71Å; E242-K423 PolarHBondContact OE2-NZ 3.47Å
243	L	88.3	Confident	90.4	Very high	29 Å²	29	55.3 Å²	55.3	15%	0.152	30%	0.297	C	S	.	.			trans	-57.6	129.3	176.6	-65.3	-177.3	0	0	0	112.4	P237 C240 H241 E247 V248 M251	P237-L243 HydrophobicContact CB-CD1 4.17Å; C240-L243 HydrophobicContact CB-CD1 3.47Å; C240-L243 VanDerWaalsContact CB-CD1 3.47Å; C240-L243 HydrophobicContact CB-CD2 4.23Å; C240-L243 HydrophobicContact CB-CG 3.57Å; H241-L243 VanDerWaalsContact C-N 3.32Å; H241-L243 PolarHBondContact O-N 2.84Å; H241-L243 VanDerWaalsContact O-N 3.12Å; L243-E247 HydrophobicContact CB-CB 4.3Å; L243-E247 HydrophobicContact CD2-CB 4.16Å; L243-V248 HydrophobicContact CB-CG2 3.79Å; L243-V248 HydrophobicContact CD1-CG2 4.43Å; L243-M251 HydrophobicContact CD1-SD 3.65Å
244	S	92.2	Very high	90.8	Very high	46 Å²	46	55.3 Å²	55.3	32%	0.322	30%	0.296	S	S	.	.			trans	-67.8	159	173.5	69.1	0	0	0	0	112.3	E242 A246 E247 V248	E242-S244 PolarHBondContact O-N 2.88Å; S244-A246 PolarHBondContact O-N 3.16Å; S244-E247 WeakPolarHBondContact CB-OE2 3.28Å; S244-E247 PolarHBondContact N-OE2 3.34Å; S244-E247 PolarHBondContact O-N 3.22Å; S244-E247 WeakPolarHBondContact OG-CG 3.43Å; S244-E247 PolarHBondContact OG-N 2.92Å; S244-E247 PolarHBondContact OG-OE2 2.97Å; S244-V248 WeakPolarHBondContact O-CG2 3.47Å; S244-V248 PolarHBondContact O-N 3.39Å
245	P	95.1	Very high	90.9	Very high	104 Å²	104	55.8 Å²	55.8	68%	0.675	30%	0.3	S	S	*	.	H	α-helix	trans	-59.3	-15	175.6	-26.1	35.6	0	0	0	115.2	K249	P245-K249 WeakPolarHBondContact O-CD 3.09Å; P245-K249 WeakPolarHBondContact O-CG 3.1Å
246	A	95.6	Very high	91.2	Very high	64 Å²	64	61.6 Å²	61.6	53%	0.529	32%	0.321	S	S	.	.	H	α-helix	trans	-83.7	-43.5	171.6	0	0	0	0	0	111.6	S244 K249 Q250	S244-A246 PolarHBondContact O-N 3.16Å; A246-K249 WeakPolarHBondContact O-CB 3.48Å; A246-K249 PolarHBondContact O-N 3.24Å; A246-Q250 PolarHBondContact O-N 3.32Å
247	E	95.4	Very high	91.5	Very high	28 Å²	28	64.8 Å²	64.8	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-38	177.2	-70.3	164.5	113.2	0	0	112.3	L243 S244 K249 Q250 M251 F408 S409	L243-E247 HydrophobicContact CB-CB 4.3Å; L243-E247 HydrophobicContact CD2-CB 4.16Å; S244-E247 WeakPolarHBondContact CB-OE2 3.28Å; S244-E247 PolarHBondContact N-OE2 3.34Å; S244-E247 PolarHBondContact O-N 3.22Å; S244-E247 WeakPolarHBondContact OG-CG 3.43Å; S244-E247 PolarHBondContact OG-N 2.92Å; S244-E247 PolarHBondContact OG-OE2 2.97Å; E247-K249 PolarHBondContact O-N 2.76Å; E247-Q250 WeakPolarHBondContact O-CB 3.2Å; E247-Q250 PolarHBondContact O-N 3.3Å; E247-Q250 VanDerWaalsContact O-N 3.13Å; E247-M251 WeakPolarHBondContact O-CB 3.34Å; E247-M251 PolarHBondContact O-N 3.34Å; E247-F408 HydrophobicContact CB-CB 3.79Å; E247-F408 HydrophobicContact CG-CB 3.83Å; E247-S409 WeakPolarHBondContact OE1-CA 3.39Å; E247-S409 WeakPolarHBondContact OE1-CB 3.39Å; E247-S409 PolarHBondContact OE1-N 3.16Å
248	V	95.4	Very high	91.7	Very high	37 Å²	37	63.8 Å²	63.8	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-55.1	-41.7	171.2	172.1	0	0	0	0	111	P237 L243 S244 M251 Q252	P237-V248 HydrophobicContact CB-CB 4.46Å; P237-V248 HydrophobicContact CB-CG1 3.98Å; P237-V248 HydrophobicContact CB-CG2 4.18Å; P237-V248 HydrophobicContact CG-CG1 4.24Å; L243-V248 HydrophobicContact CB-CG2 3.79Å; L243-V248 HydrophobicContact CD1-CG2 4.43Å; S244-V248 WeakPolarHBondContact O-CG2 3.47Å; S244-V248 PolarHBondContact O-N 3.39Å; V248-M251 PolarHBondContact O-N 3.02Å; V248-Q252 WeakPolarHBondContact O-CB 3.31Å; V248-Q252 VanDerWaalsContact O-CG 3.23Å; V248-Q252 WeakPolarHBondContact O-CG 3.33Å; V248-Q252 PolarHBondContact O-N 3.24Å
249	K	96.1	Very high	92.1	Very high	131 Å²	131	60.9 Å²	60.9	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-68	-42.3	176.3	-69.4	172.7	-174.6	178.2	0	112.1	P245 A246 E247 M251 Q252 Q253	P245-K249 WeakPolarHBondContact O-CD 3.09Å; P245-K249 WeakPolarHBondContact O-CG 3.1Å; A246-K249 WeakPolarHBondContact O-CB 3.48Å; A246-K249 PolarHBondContact O-N 3.24Å; E247-K249 PolarHBondContact O-N 2.76Å; K249-M251 VanDerWaalsContact C-N 3.34Å; K249-Q252 PolarHBondContact O-N 2.67Å; K249-Q253 VanDerWaalsContact O-CG 3.32Å; K249-Q253 WeakPolarHBondContact O-CG 3.21Å; K249-Q253 PolarHBondContact O-N 3.01Å
250	Q	96.1	Very high	92.4	Very high	55 Å²	55	63.5 Å²	63.5	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-44.2	173.9	-71.6	-168.4	56	0	0	111.7	A246 E247 Q253 Y254 F408	A246-Q250 PolarHBondContact O-N 3.32Å; E247-Q250 WeakPolarHBondContact O-CB 3.2Å; E247-Q250 PolarHBondContact O-N 3.3Å; E247-Q250 VanDerWaalsContact O-N 3.13Å; Q250-Q253 WeakPolarHBondContact O-CB 3.34Å; Q250-Q253 PolarHBondContact O-N 2.97Å; Q250-Y254 WeakPolarHBondContact O-CB 3.19Å; Q250-Y254 PolarHBondContact O-N 2.85Å; Q250-F408 HydrophobicContact CB-CB 4.46Å; Q250-F408 HydrophobicContact CB-CD1 3.75Å; Q250-F408 HydrophobicContact CB-CG 4.46Å; Q250-F408 PolarHBondContact NE2-O 2.99Å; Q250-F408 PolarHBondContact OE1-O 2.89Å
251	M	94.9	Very high	92.8	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-43.6	178.5	-173	176.4	179.7	0	0	111.1	H233 Q235 P237 L243 E247 V248 K249 Q253 Y254 V255 F408	H233-M251 WeakPolarHBondContact O-CE 3.29Å; Q235-M251 VanDerWaalsContact N-CE 3.28Å; P237-M251 VanDerWaalsContact CA-SD 3.6Å; P237-M251 HydrophobicContact CB-SD 3.91Å; P237-M251 HydrophobicContact CG-CB 4.26Å; P237-M251 HydrophobicContact CG-CG 4.05Å; P237-M251 HydrophobicContact CG-SD 3.73Å; L243-M251 HydrophobicContact CD1-SD 3.65Å; E247-M251 WeakPolarHBondContact O-CB 3.34Å; E247-M251 PolarHBondContact O-N 3.34Å; V248-M251 PolarHBondContact O-N 3.02Å; K249-M251 VanDerWaalsContact C-N 3.34Å; M251-Q253 VanDerWaalsContact C-N 3.27Å; M251-Q253 PolarHBondContact O-N 3.47Å; M251-Y254 PolarHBondContact O-N 2.86Å; M251-V255 HydrophobicContact CG-CG2 4.35Å; M251-V255 WeakPolarHBondContact O-CB 3.48Å; M251-V255 VanDerWaalsContact O-CG2 3.28Å; M251-V255 WeakPolarHBondContact O-CG2 3.39Å; M251-V255 PolarHBondContact O-N 3.46Å; M251-F408 HydrophobicContact CB-CD1 4.23Å; M251-F408 HydrophobicContact CB-CD2 4.1Å; M251-F408 HydrophobicContact CB-CE1 3.97Å; M251-F408 HydrophobicContact CB-CE2 3.81Å; M251-F408 HydrophobicContact CB-CG 4.31Å; M251-F408 HydrophobicContact CB-CZ 3.75Å; M251-F408 HydrophobicContact CG-CD2 4.37Å; M251-F408 HydrophobicContact CG-CE1 4.36Å; M251-F408 HydrophobicContact CG-CE2 3.66Å; M251-F408 HydrophobicContact CG-CZ 3.67Å; M251-F408 HydrophobicContact SD-CE2 3.99Å
252	Q	94.1	Very high	93.5	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-29.8	173.1	-72.7	170.7	-7.1	0	0	113.4	P237 V248 K249 R256	P237-Q252 HydrophobicContact CG-CG 4.14Å; V248-Q252 WeakPolarHBondContact O-CB 3.31Å; V248-Q252 VanDerWaalsContact O-CG 3.23Å; V248-Q252 WeakPolarHBondContact O-CG 3.33Å; V248-Q252 PolarHBondContact O-N 3.24Å; K249-Q252 PolarHBondContact O-N 2.67Å; Q252-R256 PolarHBondContact O-N 3.18Å; Q252-R256 PolarHBondContact O-NE 3.43Å; Q252-R256 PolarHBondContact O-NH2 2.77Å
253	Q	95.4	Very high	94.4	Very high	120 Å²	120	57.6 Å²	57.6	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-73.1	-47.3	172.3	-73.6	168	-21.7	0	0	111.1	K249 Q250 M251 V255 R256 K257	K249-Q253 VanDerWaalsContact O-CG 3.32Å; K249-Q253 WeakPolarHBondContact O-CG 3.21Å; K249-Q253 PolarHBondContact O-N 3.01Å; Q250-Q253 WeakPolarHBondContact O-CB 3.34Å; Q250-Q253 PolarHBondContact O-N 2.97Å; M251-Q253 VanDerWaalsContact C-N 3.27Å; M251-Q253 PolarHBondContact O-N 3.47Å; Q253-V255 PolarHBondContact O-N 3.25Å; Q253-R256 PolarHBondContact O-N 2.98Å; Q253-K257 WeakPolarHBondContact O-CB 3.44Å; Q253-K257 PolarHBondContact O-N 2.86Å
254	Y	95.4	Very high	94.7	Very high	22 Å²	22	56.2 Å²	56.2	9%	0.086	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-47.2	175	161.7	-101.3	0	0	0	112.1	D234 Q250 M251 R256 K257 C258 Y392 G393 E396 L406 F408	D234-Y254 WeakPolarHBondContact O-CE1 3.39Å; Q250-Y254 WeakPolarHBondContact O-CB 3.19Å; Q250-Y254 PolarHBondContact O-N 2.85Å; M251-Y254 PolarHBondContact O-N 2.86Å; Y254-R256 PolarHBondContact O-N 2.68Å; Y254-K257 WeakPolarHBondContact O-CB 3.25Å; Y254-K257 PolarHBondContact O-N 2.87Å; Y254-C258 WeakPolarHBondContact CE2-SG 3.46Å; Y254-C258 PolarHBondContact O-N 2.84Å; Y254-C258 PolarHBondContact O-SG 2.92Å; Y254-Y392 HydrophobicContact CE2-CE1 4.2Å; Y254-G393 WeakPolarHBondContact OH-CA 3.5Å; Y254-E396 HydrophobicContact CD2-CB 4.29Å; Y254-E396 HydrophobicContact CE2-CB 3.83Å; Y254-E396 HydrophobicContact CE2-CG 4.21Å; Y254-L406 HydrophobicContact CE1-CD1 3.79Å; Y254-F408 HydrophobicContact CD1-CE1 4.17Å; Y254-F408 AromaticContact CD1-CZ 3.75Å; Y254-F408 HydrophobicContact CD1-CZ 3.75Å; Y254-F408 HydrophobicContact CE1-CZ 4.37Å; Y254-F408 HydrophobicContact CG-CE1 4.1Å; Y254-F408 HydrophobicContact CG-CZ 4.14Å
255	V	94	Very high	94.8	Very high	16 Å²	16	54.6 Å²	54.6	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-38	-179.2	171.7	0	0	0	0	112.2	Q235 M251 Q253 C258 K259	Q235-V255 WeakPolarHBondContact O-CG2 3.47Å; M251-V255 HydrophobicContact CG-CG2 4.35Å; M251-V255 WeakPolarHBondContact O-CB 3.48Å; M251-V255 VanDerWaalsContact O-CG2 3.28Å; M251-V255 WeakPolarHBondContact O-CG2 3.39Å; M251-V255 PolarHBondContact O-N 3.46Å; Q253-V255 PolarHBondContact O-N 3.25Å; V255-C258 WeakPolarHBondContact O-CB 3.28Å; V255-C258 PolarHBondContact O-N 3.28Å; V255-K259 WeakPolarHBondContact O-CG 3.46Å; V255-K259 PolarHBondContact O-N 3.19Å; V255-K259 VanDerWaalsContact O-N 3.08Å
256	R	93.8	Very high	94.8	Very high	134 Å²	134	49.8 Å²	49.8	51%	0.506	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-51.4	171.4	-80.4	175.2	-73.5	-172.8	-3.1	111.2	Q252 Q253 Y254 C258 K259 D260	Q252-R256 PolarHBondContact O-N 3.18Å; Q252-R256 PolarHBondContact O-NE 3.43Å; Q252-R256 PolarHBondContact O-NH2 2.77Å; Q253-R256 PolarHBondContact O-N 2.98Å; Y254-R256 PolarHBondContact O-N 2.68Å; R256-C258 PolarHBondContact O-N 2.87Å; R256-K259 WeakPolarHBondContact O-CB 3.07Å; R256-K259 PolarHBondContact O-N 3.19Å; R256-D260 WeakPolarHBondContact O-CB 3.42Å; R256-D260 PolarHBondContact O-N 2.83Å
257	K	94.1	Very high	94.7	Very high	73 Å²	73	49.5 Å²	49.5	32%	0.317	23%	0.232	S	C	.	.	H	α-helix	trans	-52.2	-41.7	174.2	-169	-164	172.2	-169	0	112.3	Q253 Y254 D260 E261 E396	Q253-K257 WeakPolarHBondContact O-CB 3.44Å; Q253-K257 PolarHBondContact O-N 2.86Å; Y254-K257 WeakPolarHBondContact O-CB 3.25Å; Y254-K257 PolarHBondContact O-N 2.87Å; K257-D260 PolarHBondContact O-N 2.87Å; K257-E261 WeakPolarHBondContact CE-OE2 3.39Å; K257-E261 VanDerWaalsContact CG-CD 3.42Å; K257-E261 HydrophobicContact CG-CG 4.07Å; K257-E261 WeakPolarHBondContact CG-OE1 3.47Å; K257-E261 WeakPolarHBondContact CG-OE2 3.22Å; K257-E261 IonicContact NZ-OE2 2.75Å; K257-E261 VanDerWaalsContact O-CB 3.31Å; K257-E261 WeakPolarHBondContact O-CB 3.48Å; K257-E261 PolarHBondContact O-N 3.45Å; K257-E396 IonicContact NZ-OE1 3.85Å; K257-E396 IonicContact NZ-OE2 3.64Å; K257-E396 PolarHBondContact NZ-OE2 3.41Å
258	C	94.4	Very high	94.6	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	23%	0.228	C	C	.	.	I	π-helix	trans	-58.7	-52.1	174.9	-68.8	0	0	0	0	111.8	Y254 V255 R256 D260 A262 L263 F380 Y392	Y254-C258 WeakPolarHBondContact CE2-SG 3.46Å; Y254-C258 PolarHBondContact O-N 2.84Å; Y254-C258 PolarHBondContact O-SG 2.92Å; V255-C258 WeakPolarHBondContact O-CB 3.28Å; V255-C258 PolarHBondContact O-N 3.28Å; R256-C258 PolarHBondContact O-N 2.87Å; C258-D260 PolarHBondContact O-N 3.47Å; C258-A262 PolarHBondContact O-N 2.76Å; C258-A262 VanDerWaalsContact O-N 3.15Å; C258-L263 VanDerWaalsContact O-CB 3.29Å; C258-L263 WeakPolarHBondContact O-CB 3.36Å; C258-L263 PolarHBondContact O-N 2.84Å; C258-F380 HydrophobicContact CB-CE1 4.25Å; C258-Y392 VanDerWaalsContact SG-CE1 3.53Å
259	K	93.2	Very high	94.6	Very high	22 Å²	22	48.8 Å²	48.8	10%	0.096	23%	0.228	C	C	.	.	I	π-helix	trans	-58.2	-47.1	178	-70.3	175.3	-178.7	-165.6	0	111.9	K65 L66 E68 T70 V255 R256 L263 R353	K65-K259 WeakPolarHBondContact O-CE 3.46Å; K65-K259 PolarHBondContact O-NZ 3.33Å; L66-K259 VanDerWaalsContact O-CE 3.25Å; L66-K259 WeakPolarHBondContact O-CE 3.41Å; L66-K259 WeakPolarHBondContact O-CG 3.43Å; E68-K259 PolarHBondContact O-NZ 3.12Å; T70-K259 HydrophobicContact CG2-CB 3.93Å; T70-K259 HydrophobicContact CG2-CD 3.85Å; T70-K259 HydrophobicContact CG2-CG 3.8Å; V255-K259 WeakPolarHBondContact O-CG 3.46Å; V255-K259 PolarHBondContact O-N 3.19Å; V255-K259 VanDerWaalsContact O-N 3.08Å; R256-K259 WeakPolarHBondContact O-CB 3.07Å; R256-K259 PolarHBondContact O-N 3.19Å; K259-L263 HydrophobicContact CG-CD2 4.36Å; K259-R353 PolarHBondContact O-NH2 2.93Å
260	D	92.8	Very high	94.5	Very high	112 Å²	112	44 Å²	44	60%	0.599	21%	0.209	S	C	*	.	I	π-helix	trans	-79.7	-44.7	-168.7	-59.1	-27.6	0	0	0	112	R256 K257 C258 R353	R256-D260 WeakPolarHBondContact O-CB 3.42Å; R256-D260 PolarHBondContact O-N 2.83Å; K257-D260 PolarHBondContact O-N 2.87Å; C258-D260 PolarHBondContact O-N 3.47Å; D260-R353 VanDerWaalsContact O-CZ 3.28Å; D260-R353 PolarHBondContact O-NH1 3.41Å; D260-R353 PolarHBondContact O-NH2 2.91Å
261	E	93.9	Very high	94.3	Very high	120 Å²	120	41.4 Å²	41.4	56%	0.561	20%	0.197	S	C	*	.	I	π-helix	trans	-97	-34.1	-171.9	-60	-177.9	-172.1	0	0	114.4	K257 R353	K257-E261 WeakPolarHBondContact CE-OE2 3.39Å; K257-E261 VanDerWaalsContact CG-CD 3.42Å; K257-E261 HydrophobicContact CG-CG 4.07Å; K257-E261 WeakPolarHBondContact CG-OE1 3.47Å; K257-E261 WeakPolarHBondContact CG-OE2 3.22Å; K257-E261 IonicContact NZ-OE2 2.75Å; K257-E261 VanDerWaalsContact O-CB 3.31Å; K257-E261 WeakPolarHBondContact O-CB 3.48Å; K257-E261 PolarHBondContact O-N 3.45Å; E261-R353 PolarHBondContact O-NH1 3.26Å
262	A	96.2	Very high	94.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.205	C	C	.	.	I	π-helix	trans	-119	-39.5	-164.7	0	0	0	0	0	115.4	C258 G264 R353 F380 W381 Y392	C258-A262 PolarHBondContact O-N 2.76Å; C258-A262 VanDerWaalsContact O-N 3.15Å; A262-G264 PolarHBondContact O-N 2.85Å; A262-R353 VanDerWaalsContact O-CD 3.28Å; A262-R353 WeakPolarHBondContact O-CD 3.38Å; A262-R353 PolarHBondContact O-NE 3.16Å; A262-F380 HydrophobicContact CB-CB 4.47Å; A262-F380 HydrophobicContact CB-CD1 4.26Å; A262-F380 CarbonylContact O-C 3.54Å; A262-F380 WeakPolarHBondContact O-CA 3.47Å; A262-W381 PolarHBondContact O-N 2.62Å; A262-Y392 HydrophobicContact CB-CD2 4.13Å; A262-Y392 HydrophobicContact CB-CE1 4.31Å; A262-Y392 HydrophobicContact CB-CE2 3.34Å; A262-Y392 VanDerWaalsContact CB-CZ 3.47Å; A262-Y392 WeakPolarHBondContact CB-OH 3.02Å
263	L	96.1	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.5	-172.2	175.9	64.9	0	0	0	112	L66 F67 T70 C258 K259 R353 I378 F380	L66-L263 HydrophobicContact CD1-CD1 3.93Å; L66-L263 HydrophobicContact CD1-CD2 3.65Å; L66-L263 HydrophobicContact CD1-CG 4.35Å; L66-L263 HydrophobicContact CD2-CD1 4.06Å; L66-L263 HydrophobicContact CG-CD1 4.05Å; L66-L263 HydrophobicContact CG-CD2 3.82Å; F67-L263 HydrophobicContact CD1-CD2 4.08Å; F67-L263 HydrophobicContact CE1-CD1 4.17Å; F67-L263 HydrophobicContact CE1-CD2 4.07Å; F67-L263 HydrophobicContact CE1-CG 4.48Å; T70-L263 HydrophobicContact CG2-CD2 4.34Å; C258-L263 VanDerWaalsContact O-CB 3.29Å; C258-L263 WeakPolarHBondContact O-CB 3.36Å; C258-L263 PolarHBondContact O-N 2.84Å; K259-L263 HydrophobicContact CG-CD2 4.36Å; L263-R353 VanDerWaalsContact O-CZ 3.29Å; L263-R353 PolarHBondContact O-NE 2.81Å; L263-R353 PolarHBondContact O-NH2 3.38Å; L263-I378 HydrophobicContact CD1-CG2 3.93Å; L263-F380 HydrophobicContact CB-CE1 4.44Å; L263-F380 HydrophobicContact CD1-CE1 4.29Å; L263-F380 HydrophobicContact CD1-CE2 4.06Å; L263-F380 HydrophobicContact CD1-CZ 3.88Å
264	G	95.1	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	171.1	167.2	0	0	0	0	0	112.2	Y72 A262 Y379	Y72-G264 WeakPolarHBondContact OH-CA 3.29Å; A262-G264 PolarHBondContact O-N 2.85Å; G264-Y379 VanDerWaalsContact C-CE1 3.45Å; G264-Y379 PolarHBondContact N-O 2.98Å; G264-Y379 WeakPolarHBondContact O-CD1 3.42Å; G264-Y379 PolarHBondContact O-N 2.94Å
265	V	93.9	Very high	93.3	Very high	11 Å²	11	37.3 Å²	37.3	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.4	169.9	-176.6	0	0	0	0	106.9	F67 Y72 L75 M377 I378 Y379	F67-V265 HydrophobicContact CE1-CG2 4.12Å; Y72-V265 HydrophobicContact CD1-CB 4.15Å; Y72-V265 HydrophobicContact CD1-CG2 3.8Å; Y72-V265 HydrophobicContact CD2-CG2 4.4Å; Y72-V265 HydrophobicContact CE1-CB 3.93Å; Y72-V265 HydrophobicContact CE1-CG2 3.96Å; Y72-V265 HydrophobicContact CG-CG2 4.04Å; L75-V265 HydrophobicContact CD1-CG1 4.28Å; L75-V265 HydrophobicContact CD1-CG2 3.86Å; V265-M377 WeakPolarHBondContact CA-O 3.39Å; V265-I378 HydrophobicContact CG2-CG1 4.46Å; V265-Y379 VanDerWaalsContact C-CE1 3.48Å
266	G	94.1	Very high	93	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.031	20%	0.204	C	C	.	.			trans	-74.9	141.9	-177.5	0	0	0	0	0	113.2	Y350 M377	G266-Y350 CarbonylContact C-O 3.58Å; G266-Y350 VanDerWaalsContact CA-O 3.24Å; G266-Y350 WeakPolarHBondContact CA-O 3.44Å; G266-M377 PolarHBondContact N-O 3.33Å; G266-M377 WeakPolarHBondContact O-CE 3.48Å
267	D	93.3	Very high	92.7	Very high	58 Å²	58	40.6 Å²	40.6	31%	0.31	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.9	177.5	-53.6	-74.6	0	0	0	110	L269 V349 Y350 Y356	D267-L269 HydrophobicContact CB-CD1 4Å; D267-V349 CarbonylContact O-C 3.54Å; D267-V349 WeakPolarHBondContact O-CA 3.23Å; D267-Y350 PolarHBondContact N-O 3.3Å; D267-Y350 PolarHBondContact O-N 3.07Å; D267-Y356 PolarHBondContact OD2-OH 3.36Å
268	V	94.8	Very high	92.2	Very high	7 Å²	7	42 Å²	42	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.6	-178.5	174.5	0	0	0	0	110.7	P191 V193 L198 Y202 P347 A348 V349 M377	P191-V268 HydrophobicContact CB-CB 4.11Å; P191-V268 HydrophobicContact CB-CG2 3.77Å; P191-V268 HydrophobicContact CG-CG1 4.48Å; P191-V268 HydrophobicContact CG-CG2 4.36Å; V193-V268 HydrophobicContact CG1-CB 3.75Å; V193-V268 HydrophobicContact CG1-CG1 4.15Å; V193-V268 WeakPolarHBondContact CG1-O 3.28Å; L198-V268 HydrophobicContact CD2-CG1 4.38Å; L198-V268 HydrophobicContact CG-CG1 4.3Å; Y202-V268 HydrophobicContact CD2-CG1 3.9Å; Y202-V268 HydrophobicContact CD2-CG2 3.71Å; Y202-V268 HydrophobicContact CE2-CG2 3.84Å; Y202-V268 HydrophobicContact CG-CG1 4.26Å; Y202-V268 HydrophobicContact CG-CG2 4.38Å; V268-P347 HydrophobicContact CG1-CB 3.75Å; V268-A348 WeakPolarHBondContact CA-O 3.32Å; V268-V349 HydrophobicContact CG2-CG2 4.39Å; V268-M377 HydrophobicContact CG2-CE 3.88Å; V268-M377 HydrophobicContact CG2-SD 3.3Å; V268-M377 WeakPolarHBondContact CG2-SD 3.13Å
269	L	93.8	Very high	91.5	Very high	43 Å²	43	45.5 Å²	45.5	23%	0.225	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.8	-168.6	-71.2	154.1	0	0	0	109.7	D267 M274 A348 Y350	D267-L269 HydrophobicContact CB-CD1 4Å; L269-M274 HydrophobicContact CB-CG 3.91Å; L269-M274 HydrophobicContact CD1-CE 3.81Å; L269-M274 HydrophobicContact CD1-CG 3.81Å; L269-M274 HydrophobicContact CD1-SD 3.73Å; L269-M274 HydrophobicContact CG-CG 4.41Å; L269-A348 PolarHBondContact N-O 3.13Å; L269-A348 VanDerWaalsContact N-O 3.15Å; L269-A348 PolarHBondContact O-N 3.45Å; L269-Y350 HydrophobicContact CB-CD2 4.22Å; L269-Y350 HydrophobicContact CB-CE2 4.26Å
270	L	94.1	Very high	90.2	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.157	26%	0.26	C	S	.	.			trans	-76.8	141.3	168.3	-62.2	177.8	0	0	0	110.5	L198 E272 E273 M274 G345	L198-L270 HydrophobicContact CD1-CD2 3.54Å; L198-L270 HydrophobicContact CD1-CG 3.89Å; L270-E272 VanDerWaalsContact C-N 3.25Å; L270-E272 HydrophobicContact CB-CG 4.06Å; L270-E272 PolarHBondContact O-N 2.96Å; L270-E273 HydrophobicContact CB-CB 4.27Å; L270-E273 HydrophobicContact CB-CG 3.87Å; L270-E273 WeakPolarHBondContact CB-OE2 3.36Å; L270-E273 HydrophobicContact CD1-CG 4.41Å; L270-E273 HydrophobicContact CG-CG 4.49Å; L270-E273 PolarHBondContact N-OE2 3.18Å; L270-E273 WeakPolarHBondContact O-CB 3.29Å; L270-E273 PolarHBondContact O-N 3.4Å; L270-M274 PolarHBondContact O-N 3.11Å; L270-M274 VanDerWaalsContact O-N 3.1Å; L270-G345 VanDerWaalsContact CD2-C 3.49Å
271	P	93.6	Very high	88.2	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-38.2	178.1	-26.8	34.8	0	0	0	114.1	M274 A275 F333 M342 E346 A348 Y350 L359	P271-M274 PolarHBondContact O-N 3.16Å; P271-A275 WeakPolarHBondContact O-CB 3.34Å; P271-A275 PolarHBondContact O-N 2.94Å; P271-F333 VanDerWaalsContact C-CZ 3.4Å; P271-F333 HydrophobicContact CB-CB 4.14Å; P271-F333 HydrophobicContact CB-CD1 3.58Å; P271-F333 HydrophobicContact CB-CD2 3.49Å; P271-F333 VanDerWaalsContact CB-CD2 3.49Å; P271-F333 HydrophobicContact CB-CE1 3.7Å; P271-F333 HydrophobicContact CB-CE2 3.62Å; P271-F333 HydrophobicContact CB-CG 3.47Å; P271-F333 VanDerWaalsContact CB-CG 3.47Å; P271-F333 HydrophobicContact CB-CZ 3.71Å; P271-F333 HydrophobicContact CG-CD2 4.46Å; P271-F333 HydrophobicContact CG-CG 4.4Å; P271-F333 WeakPolarHBondContact O-CE1 3.22Å; P271-F333 VanDerWaalsContact O-CZ 3.25Å; P271-F333 WeakPolarHBondContact O-CZ 3.09Å; P271-M342 HydrophobicContact CG-CB 4.35Å; P271-E346 VanDerWaalsContact CD-O 3.24Å; P271-E346 WeakPolarHBondContact CD-O 3.45Å; P271-A348 HydrophobicContact CG-CB 4.1Å; P271-Y350 WeakPolarHBondContact CA-OH 3.45Å; P271-L359 HydrophobicContact CB-CD1 4.18Å; P271-L359 HydrophobicContact CG-CD1 4.13Å
272	E	91.1	Very high	85.8	Confident	39 Å²	39	43 Å²	43	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-34.8	174.9	53.9	-93.4	-138	0	0	113.7	L270 Q276 G345	L270-E272 VanDerWaalsContact C-N 3.25Å; L270-E272 HydrophobicContact CB-CG 4.06Å; L270-E272 PolarHBondContact O-N 2.96Å; E272-Q276 VanDerWaalsContact O-CG 3.25Å; E272-Q276 WeakPolarHBondContact O-CG 3.45Å; E272-Q276 PolarHBondContact O-N 2.72Å; E272-Q276 VanDerWaalsContact O-N 3.08Å; E272-Q276 PolarHBondContact O-NE2 2.84Å; E272-G345 WeakPolarHBondContact OE1-CA 3.48Å; E272-G345 PolarHBondContact OE1-N 3.17Å
273	E	90.8	Very high	83	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-45.1	174.5	-68.6	169.3	153.3	0	0	110.3	L270 A275 Q276 I277	L270-E273 HydrophobicContact CB-CB 4.27Å; L270-E273 HydrophobicContact CB-CG 3.87Å; L270-E273 WeakPolarHBondContact CB-OE2 3.36Å; L270-E273 HydrophobicContact CD1-CG 4.41Å; L270-E273 HydrophobicContact CG-CG 4.49Å; L270-E273 PolarHBondContact N-OE2 3.18Å; L270-E273 WeakPolarHBondContact O-CB 3.29Å; L270-E273 PolarHBondContact O-N 3.4Å; E273-A275 PolarHBondContact O-N 3.33Å; E273-Q276 PolarHBondContact O-N 2.89Å; E273-I277 WeakPolarHBondContact O-CG1 3.45Å; E273-I277 PolarHBondContact O-N 3.43Å
274	M	89.3	Confident	79.9	Confident	17 Å²	17	50.1 Å²	50.1	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-40.1	176.1	-85.3	-84.9	92	0	0	112.6	L269 L270 P271 Q276 I277 Q278 Y350 Y356	L269-M274 HydrophobicContact CB-CG 3.91Å; L269-M274 HydrophobicContact CD1-CE 3.81Å; L269-M274 HydrophobicContact CD1-CG 3.81Å; L269-M274 HydrophobicContact CD1-SD 3.73Å; L269-M274 HydrophobicContact CG-CG 4.41Å; L270-M274 PolarHBondContact O-N 3.11Å; L270-M274 VanDerWaalsContact O-N 3.1Å; P271-M274 PolarHBondContact O-N 3.16Å; M274-Q276 VanDerWaalsContact C-N 3.35Å; M274-Q276 PolarHBondContact O-N 2.94Å; M274-I277 HydrophobicContact CE-CB 4.02Å; M274-I277 HydrophobicContact CE-CD1 3.58Å; M274-I277 HydrophobicContact CE-CG1 4.4Å; M274-I277 HydrophobicContact CE-CG2 3.94Å; M274-I277 PolarHBondContact O-N 2.76Å; M274-Q278 WeakPolarHBondContact O-CB 3.35Å; M274-Q278 VanDerWaalsContact O-CG 3.29Å; M274-Q278 WeakPolarHBondContact O-CG 3.34Å; M274-Q278 PolarHBondContact O-N 3.37Å; M274-Y350 HydrophobicContact CB-CE1 4.22Å; M274-Y350 HydrophobicContact CB-CE2 4.17Å; M274-Y350 HydrophobicContact CG-CD1 4.45Å; M274-Y350 HydrophobicContact CG-CD2 4.01Å; M274-Y350 HydrophobicContact CG-CE1 4.07Å; M274-Y350 HydrophobicContact CG-CE2 3.6Å; M274-Y350 HydrophobicContact CG-CG 4.42Å; M274-Y350 HydrophobicContact SD-CD1 4.35Å; M274-Y350 HydrophobicContact SD-CD2 4.49Å; M274-Y350 HydrophobicContact SD-CE1 4.41Å; M274-Y350 HydrophobicContact SD-CG 4.39Å; M274-Y356 HydrophobicContact SD-CD1 3.73Å; M274-Y356 HydrophobicContact SD-CE1 4.31Å; M274-Y356 HydrophobicContact SD-CG 4.48Å
275	A	87.6	Confident	76.9	Confident	21 Å²	21	55 Å²	55	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-63.6	-38.2	174.6	0	0	0	0	0	112.5	P271 E273 A279 F333	P271-A275 WeakPolarHBondContact O-CB 3.34Å; P271-A275 PolarHBondContact O-N 2.94Å; E273-A275 PolarHBondContact O-N 3.33Å; A275-A279 WeakPolarHBondContact O-CB 3.32Å; A275-A279 PolarHBondContact O-N 3.11Å; A275-F333 HydrophobicContact CB-CE1 4.2Å; A275-F333 HydrophobicContact CB-CZ 3.9Å
276	Q	87.6	Confident	74	Confident	120 Å²	120	59.4 Å²	59.4	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-65.9	-43	174.2	-71.8	167.6	37.4	0	0	111.9	E272 E273 M274 A279 G280	E272-Q276 VanDerWaalsContact O-CG 3.25Å; E272-Q276 WeakPolarHBondContact O-CG 3.45Å; E272-Q276 PolarHBondContact O-N 2.72Å; E272-Q276 VanDerWaalsContact O-N 3.08Å; E272-Q276 PolarHBondContact O-NE2 2.84Å; E273-Q276 PolarHBondContact O-N 2.89Å; M274-Q276 VanDerWaalsContact C-N 3.35Å; M274-Q276 PolarHBondContact O-N 2.94Å; Q276-A279 PolarHBondContact O-N 2.98Å; Q276-G280 PolarHBondContact O-N 2.71Å
277	I	86.8	Confident	71	Confident	100 Å²	100	64 Å²	64	51%	0.513	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177	-70.2	163.2	0	0	0	110.9	E273 M274 G280 G281	E273-I277 WeakPolarHBondContact O-CG1 3.45Å; E273-I277 PolarHBondContact O-N 3.43Å; M274-I277 HydrophobicContact CE-CB 4.02Å; M274-I277 HydrophobicContact CE-CD1 3.58Å; M274-I277 HydrophobicContact CE-CG1 4.4Å; M274-I277 HydrophobicContact CE-CG2 3.94Å; M274-I277 PolarHBondContact O-N 2.76Å; I277-G280 PolarHBondContact O-N 3.49Å; I277-G281 PolarHBondContact O-N 3.5Å
278	Q	83.6	Confident	68.1	Low	101 Å²	101	64.8 Å²	64.8	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.1	-71.7	172.6	2.1	0	0	112.3	M274 Y356	M274-Q278 WeakPolarHBondContact O-CB 3.35Å; M274-Q278 VanDerWaalsContact O-CG 3.29Å; M274-Q278 WeakPolarHBondContact O-CG 3.34Å; M274-Q278 PolarHBondContact O-N 3.37Å; Q278-Y356 PolarHBondContact NE2-O 3.23Å
279	A	80.2	Confident	65.2	Low	79 Å²	79	70.8 Å²	70.8	65%	0.653	52%	0.516	S	S	*	.	H	α-helix	trans	-68.8	-39.6	175.9	0	0	0	0	0	112.9	A275 Q276	A275-A279 WeakPolarHBondContact O-CB 3.32Å; A275-A279 PolarHBondContact O-N 3.11Å; Q276-A279 PolarHBondContact O-N 2.98Å
280	G	65.9	Low	62.1	Low	47 Å²	47	72.5 Å²	72.5	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-74.3	-28.4	176	0	0	0	0	0	114	Q276 I277 A282 G283	Q276-G280 PolarHBondContact O-N 2.71Å; I277-G280 PolarHBondContact O-N 3.49Å; G280-A282 PolarHBondContact O-N 3.22Å; G280-A282 VanDerWaalsContact O-N 3.11Å; G280-G283 PolarHBondContact O-N 3Å
281	G	51	Low	59	Low	53 Å²	53	74.8 Å²	74.8	55%	0.546	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.4	-16.4	-178.9	0	0	0	0	0	115	I277 G283	I277-G281 PolarHBondContact O-N 3.5Å; G281-G283 PolarHBondContact O-N 3.14Å
282	A	42.3	Very low	56.1	Low	102 Å²	102	81.2 Å²	81.2	84%	0.843	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-6.3	171.3	0	0	0	0	0	114	G280	G280-A282 PolarHBondContact O-N 3.22Å; G280-A282 VanDerWaalsContact O-N 3.11Å
283	G	37.2	Very low	53.5	Low	72 Å²	72	85.6 Å²	85.6	74%	0.742	65%	0.647	S	S	*	*	S	Bend	trans	-142.9	13.9	-170.8	0	0	0	0	0	117	G280 G281	G280-G283 PolarHBondContact O-N 3Å; G281-G283 PolarHBondContact O-N 3.14Å
284	A	32	Very low	50.5	Low	79 Å²	79	86.2 Å²	86.2	65%	0.653	67%	0.672	S	S	*	*			trans	-149.1	129.9	175.2	0	0	0	0	0	113.1
285	A	32	Very low	47.6	Very low	102 Å²	102	97.3 Å²	97.3	84%	0.843	71%	0.713	S	S	*	*			trans	-74.6	148.2	168.5	0	0	0	0	0	110.9	A287	A285-A287 PolarHBondContact O-N 2.96Å
286	A	33.7	Very low	44.7	Very low	103 Å²	103	100 Å²	100	85%	0.851	74%	0.735	S	S	*	*			trans	-66.7	127.4	-171	0	0	0	0	0	113.6	G288	A286-G288 PolarHBondContact O-N 2.69Å; A286-G288 VanDerWaalsContact O-N 3.13Å
287	A	31.5	Very low	41.9	Very low	99 Å²	99	100.5 Å²	100.5	82%	0.818	75%	0.746	S	S	*	*			trans	-79.7	88	171.1	0	0	0	0	0	110.8	A285 S289	A285-A287 PolarHBondContact O-N 2.96Å; A287-S289 PolarHBondContact O-N 2.82Å
288	G	31.1	Very low	39.8	Very low	75 Å²	75	101.6 Å²	101.6	77%	0.773	76%	0.76	S	S	*	*			trans	-71.1	114.3	176.4	0	0	0	0	0	112.6	A286 G290	A286-G288 PolarHBondContact O-N 2.69Å; A286-G288 VanDerWaalsContact O-N 3.13Å; G288-G290 PolarHBondContact O-N 2.99Å
289	S	33.2	Very low	37.1	Very low	133 Å²	133	100.2 Å²	100.2	93%	0.93	77%	0.773	S	S	*	*			trans	-80.2	103	174	-66	0	0	0	0	111.5	A287	A287-S289 PolarHBondContact O-N 2.82Å
290	G	30.4	Very low	34.7	Very low	79 Å²	79	102.5 Å²	102.5	81%	0.814	78%	0.784	S	S	*	*			trans	-158.7	100.1	175.1	0	0	0	0	0	112.1	G288	G288-G290 PolarHBondContact O-N 2.99Å
291	G	28.6	Very low	32.8	Very low	78 Å²	78	103.4 Å²	103.4	80%	0.804	79%	0.794	S	S	*	*			trans	-126.3	120.5	-178.5	0	0	0	0	0	113.1
292	T	32.2	Very low	31.8	Very low	137 Å²	137	107 Å²	107	84%	0.84	81%	0.805	S	S	*	*			trans	-139.5	144.9	162.5	46	0	0	0	0	109.2
293	P	36.3	Very low	31.1	Very low	131 Å²	131	107.8 Å²	107.8	85%	0.851	80%	0.795	S	S	*	*			trans	-78.5	149.7	-171.3	31.3	-35.7	0	0	0	113.2
294	G	28.9	Very low	30.7	Very low	83 Å²	83	112.3 Å²	112.3	86%	0.856	80%	0.797	S	S	*	*			trans	-86.2	-179.8	-179.5	0	0	0	0	0	115.1
295	R	27.2	Very low	30.7	Very low	250 Å²	250	113.5 Å²	113.5	94%	0.943	80%	0.8	S	S	*	*			trans	-135.1	134.7	176.8	-179.2	170.1	165.2	-172.6	-5.3	109.7
296	A	28.2	Very low	30.5	Very low	78 Å²	78	113.6 Å²	113.6	65%	0.645	80%	0.801	S	S	*	*			trans	-67.5	165.4	-177.6	0	0	0	0	0	112
297	T	28.7	Very low	30.3	Very low	129 Å²	129	112.6 Å²	112.6	79%	0.791	80%	0.801	S	S	*	*			cis	-175.9	-171.6	5	7	0	0	0	0	107.1
298	P	40.8	Very low	30.2	Very low	123 Å²	123	116.5 Å²	116.5	80%	0.799	81%	0.807	S	S	*	*			cis	-128.1	-177.6	-31	36.9	-20.5	0	0	0	112.8
299	G	27.7	Very low	30.2	Very low	72 Å²	72	123.6 Å²	123.6	74%	0.742	81%	0.811	S	S	*	*			trans	-168.5	141.1	163	0	0	0	0	0	113
300	S	30.6	Very low	30.4	Very low	127 Å²	127	123.4 Å²	123.4	89%	0.888	81%	0.806	S	S	*	*			trans	-52.1	150.1	172.9	-69	0	0	0	0	111.9
301	G	26.3	Very low	30.5	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	80%	0.8	S	S	*	*			cis	87.6	128.9	40.1	0	0	0	0	0	108.8
302	T	28.4	Very low	30.5	Very low	129 Å²	129	131.7 Å²	131.7	79%	0.791	81%	0.806	S	S	*	*			cis	-109.6	-142.3	17.2	42.2	0	0	0	0	111.8
303	D	28	Very low	30.3	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	80%	0.802	S	S	*	*			cis	-162.5	-176.4	5.5	-135.8	-41.8	0	0	0	115.7
304	Q	29.6	Very low	30.1	Very low	167 Å²	167	128.6 Å²	128.6	78%	0.78	81%	0.805	S	S	*	*			trans	-35.4	156.9	166	-75	162	92.9	0	0	117.9
305	S	31.2	Very low	30.3	Very low	103 Å²	103	133 Å²	133	72%	0.72	81%	0.807	S	S	*	*			cis	-165.6	170.5	-6.3	56.9	0	0	0	0	113
306	A	28	Very low	30.4	Very low	104 Å²	104	124.5 Å²	124.5	86%	0.86	80%	0.798	S	S	*	*			trans	45.3	119.7	150.6	0	0	0	0	0	121.9
307	G	28.6	Very low	30.5	Very low	83 Å²	83	127.7 Å²	127.7	86%	0.856	81%	0.81	S	S	*	*			trans	-160.2	113.2	167.1	0	0	0	0	0	112.9
308	L	29.7	Very low	30.8	Very low	181 Å²	181	126.6 Å²	126.6	95%	0.948	81%	0.814	S	S	*	*			trans	-69.1	146.8	-165.7	-79.2	154.1	0	0	0	116.4
309	R	30.8	Very low	30.4	Very low	223 Å²	223	125.4 Å²	125.4	84%	0.842	82%	0.815	S	S	*	*			trans	-66.8	153.4	161.6	-114.2	176.4	168.7	-139.6	-1.5	110.8
310	P	37.6	Very low	30.6	Very low	130 Å²	130	128.4 Å²	128.4	84%	0.844	82%	0.819	S	S	*	*				-143	172.8	87.3	38.9	-24.3	0	0	0	114.9
311	A	32.8	Very low	30.9	Very low	81 Å²	81	127.5 Å²	127.5	67%	0.669	82%	0.819	S	S	*	*			trans	-117.9	131.3	180	0	0	0	0	0	112.7
312	R	28.7	Very low	31.1	Very low	250 Å²	250	127.1 Å²	127.1	94%	0.943	81%	0.814	S	S	*	*			trans	-162.9	138.4	160.5	-111.8	176.3	169.6	-179.6	-3.7	106.3
313	G	28.9	Very low	31.6	Very low	73 Å²	73	125.6 Å²	125.6	75%	0.753	82%	0.815	S	S	*	*			cis	108	82.1	5.9	0	0	0	0	0	111.2
314	S	31.4	Very low	32.2	Very low	130 Å²	130	127.4 Å²	127.4	91%	0.909	82%	0.823	S	S	*	*			trans	-157.2	161.8	166.2	-146.3	0	0	0	0	111.4
315	L	32.2	Very low	33	Very low	174 Å²	174	126.9 Å²	126.9	91%	0.911	83%	0.826	S	S	*	*			trans	-95.6	166.6	-168.5	-149.2	67.9	0	0	0	112.4
316	G	29.3	Very low	33.3	Very low	73 Å²	73	126.3 Å²	126.3	75%	0.753	82%	0.822	S	S	*	*			trans	-75.3	167.8	-167.1	0	0	0	0	0	116.8
317	T	31.1	Very low	33.9	Very low	145 Å²	145	124.7 Å²	124.7	89%	0.89	82%	0.815	S	S	*	*			trans	-132.1	122.1	161.2	16.2	0	0	0	0	108	A319	T317-A319 PolarHBondContact O-N 2.8Å
318	A	35.6	Very low	34.3	Very low	105 Å²	105	127 Å²	127	87%	0.868	81%	0.807	S	S	*	*			trans	-75.8	109.4	176.6	0	0	0	0	0	109.6
319	A	32.4	Very low	35.1	Very low	99 Å²	99	123.1 Å²	123.1	82%	0.818	79%	0.793	S	S	*	*			trans	-67.5	132.9	171.4	0	0	0	0	0	109.8	T317	T317-A319 PolarHBondContact O-N 2.8Å
320	T	32.2	Very low	36.1	Very low	135 Å²	135	121.5 Å²	121.5	83%	0.828	80%	0.795	S	S	*	*			trans	-59.2	138.3	-179.2	42.4	0	0	0	0	112.1	G322	T320-G322 PolarHBondContact O-N 2.86Å
321	A	35.4	Very low	37.2	Very low	108 Å²	108	119.1 Å²	119.1	89%	0.893	78%	0.775	S	S	*	*			trans	-68.9	79.1	171.1	0	0	0	0	0	111	A323	A321-A323 PolarHBondContact O-N 2.75Å
322	G	31.2	Very low	39.6	Very low	58 Å²	58	121.7 Å²	121.7	60%	0.598	78%	0.777	S	S	*	*			trans	-63.4	128.2	169	0	0	0	0	0	109.8	T320 I324	T320-G322 PolarHBondContact O-N 2.86Å; G322-I324 PolarHBondContact O-N 3.23Å
323	A	39.6	Very low	42.7	Very low	98 Å²	98	111.5 Å²	111.5	81%	0.81	74%	0.74	S	S	*	*			trans	-68.3	105	-174.4	0	0	0	0	0	111.1	A321 N325	A321-A323 PolarHBondContact O-N 2.75Å; A323-N325 PolarHBondContact O-N 2.71Å
324	I	39.8	Very low	45.8	Very low	156 Å²	156	110.7 Å²	110.7	80%	0.8	72%	0.723	S	S	*	*			trans	-74.4	59.5	169	54.6	161.3	0	0	0	111.5	G322 S326	G322-I324 PolarHBondContact O-N 3.23Å; I324-S326 PolarHBondContact O-N 3.45Å
325	N	47.2	Very low	49	Very low	156 Å²	156	104.5 Å²	104.5	83%	0.834	68%	0.679	S	S	*	*			trans	-80.5	47.7	156	-158.6	5.6	0	0	0	109.6	A323 G327	A323-N325 PolarHBondContact O-N 2.71Å; N325-G327 PolarHBondContact O-N 2.74Å
326	S	36	Very low	52	Low	91 Å²	91	99.3 Å²	99.3	64%	0.636	65%	0.65	S	S	*	*			trans	-88.7	100.1	174.5	-60.3	0	0	0	0	106.3	I324 L328	I324-S326 PolarHBondContact O-N 3.45Å; S326-L328 PolarHBondContact O-N 3.25Å
327	G	40.7	Very low	55.2	Low	69 Å²	69	100.8 Å²	100.8	71%	0.711	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.1	124.8	-177.5	0	0	0	0	0	111	N325	N325-G327 PolarHBondContact O-N 2.74Å
328	L	37.3	Very low	58.3	Low	132 Å²	132	95.8 Å²	95.8	69%	0.691	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-53.1	141.6	162.5	-89.4	70.5	0	0	0	107.6	S326 Q330	S326-L328 PolarHBondContact O-N 3.25Å; L328-Q330 PolarHBondContact O-N 3.26Å
329	P	46.1	Very low	61.2	Low	99 Å²	99	97.4 Å²	97.4	64%	0.643	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-54.7	129.9	167.8	25.3	-33.1	0	0	0	107.8	N331	P329-N331 PolarHBondContact O-N 3.31Å
330	Q	51.9	Low	64.3	Low	189 Å²	189	99.4 Å²	99.4	88%	0.883	59%	0.586	S	S	*	*			trans	-70	78.5	170.3	-74.4	-170.8	-11.4	0	0	108.1	L328 N332	L328-Q330 PolarHBondContact O-N 3.26Å; Q330-N332 PolarHBondContact O-N 3.11Å
331	N	62.1	Low	67.3	Low	80 Å²	80	96.7 Å²	96.7	43%	0.428	57%	0.57	S	S	.	*			trans	-58.1	107.8	171.2	-77.2	-4.1	0	0	0	106.9	P329 F333	P329-N331 PolarHBondContact O-N 3.31Å; N331-F333 HydrophobicContact CB-CD1 4.27Å; N331-F333 HydrophobicContact CB-CD2 4.34Å; N331-F333 HydrophobicContact CB-CE1 3.83Å; N331-F333 HydrophobicContact CB-CE2 3.9Å; N331-F333 HydrophobicContact CB-CZ 3.63Å; N331-F333 WeakPolarHBondContact O-CD2 3.21Å; N331-F333 WeakPolarHBondContact O-CG 3.46Å; N331-F333 PolarHBondContact O-N 3.27Å
332	N	83.5	Confident	70	Confident	136 Å²	136	92.3 Å²	92.3	73%	0.727	53%	0.532	S	S	*	.			trans	-77.1	69.1	-177.6	-170.9	27.8	0	0	0	109.7	Q330 S334	Q330-N332 PolarHBondContact O-N 3.11Å; N332-S334 PolarHBondContact O-N 3.31Å
333	F	92.1	Very high	72.8	Confident	36 Å²	36	94.7 Å²	94.7	16%	0.158	53%	0.53	C	S	.	.			trans	-51	124.5	177.8	-63.4	-62	0	0	0	109.6	P271 A275 N331 P341 M342 L344 L359	P271-F333 VanDerWaalsContact C-CZ 3.4Å; P271-F333 HydrophobicContact CB-CB 4.14Å; P271-F333 HydrophobicContact CB-CD1 3.58Å; P271-F333 HydrophobicContact CB-CD2 3.49Å; P271-F333 VanDerWaalsContact CB-CD2 3.49Å; P271-F333 HydrophobicContact CB-CE1 3.7Å; P271-F333 HydrophobicContact CB-CE2 3.62Å; P271-F333 HydrophobicContact CB-CG 3.47Å; P271-F333 VanDerWaalsContact CB-CG 3.47Å; P271-F333 HydrophobicContact CB-CZ 3.71Å; P271-F333 HydrophobicContact CG-CD2 4.46Å; P271-F333 HydrophobicContact CG-CG 4.4Å; P271-F333 WeakPolarHBondContact O-CE1 3.22Å; P271-F333 VanDerWaalsContact O-CZ 3.25Å; P271-F333 WeakPolarHBondContact O-CZ 3.09Å; A275-F333 HydrophobicContact CB-CE1 4.2Å; A275-F333 HydrophobicContact CB-CZ 3.9Å; N331-F333 HydrophobicContact CB-CD1 4.27Å; N331-F333 HydrophobicContact CB-CD2 4.34Å; N331-F333 HydrophobicContact CB-CE1 3.83Å; N331-F333 HydrophobicContact CB-CE2 3.9Å; N331-F333 HydrophobicContact CB-CZ 3.63Å; N331-F333 WeakPolarHBondContact O-CD2 3.21Å; N331-F333 WeakPolarHBondContact O-CG 3.46Å; N331-F333 PolarHBondContact O-N 3.27Å; F333-P341 CarbonylContact O-C 3.54Å; F333-P341 VanDerWaalsContact O-CA 3.31Å; F333-P341 WeakPolarHBondContact O-CA 3.27Å; F333-M342 HydrophobicContact CB-CB 3.83Å; F333-M342 HydrophobicContact CB-CG 4.02Å; F333-M342 PolarHBondContact O-N 3.34Å; F333-L344 HydrophobicContact CD2-CD2 4.42Å; F333-L344 HydrophobicContact CE2-CD2 4.17Å; F333-L359 HydrophobicContact CB-CD1 4.12Å; F333-L359 HydrophobicContact CD1-CD1 4.26Å
334	S	95.9	Very high	75.1	Confident	55 Å²	55	96.1 Å²	96.1	39%	0.385	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-136.9	138.1	-177.2	53.2	0	0	0	0	111.2	N332 H336 K340 L359	N332-S334 PolarHBondContact O-N 3.31Å; S334-H336 PolarHBondContact O-N 2.69Å; S334-K340 WeakPolarHBondContact CA-O 3.19Å; S334-L359 WeakPolarHBondContact O-CD2 3.45Å
335	C	97.2	Very high	77.5	Confident	0 Å²	0	90.7 Å²	90.7	0%	0	51%	0.506	C	S	.	.			trans	-67.9	127.4	-176.1	168.3	0	0	0	0	111.2	H337 K339 K340 M342 L359 H361	C335-H337 PolarHBondContact O-N 2.81Å; C335-H337 PolarHBondContact SG-N 3.34Å; C335-H337 VanDerWaalsContact SG-N 3.39Å; C335-K339 WeakPolarHBondContact O-CA 3.45Å; C335-K339 PolarHBondContact O-N 2.87Å; C335-K340 PolarHBondContact N-O 2.94Å; C335-M342 HydrophobicContact CB-SD 4.12Å; C335-L359 CarbonylContact C-O 3.59Å; C335-L359 WeakPolarHBondContact CA-O 3.47Å; C335-H361 VanDerWaalsContact CB-CE1 3.41Å; C335-H361 WeakPolarHBondContact CB-CE1 3.27Å; C335-H361 WeakPolarHBondContact CB-ND1 3.45Å
336	H	96.1	Very high	79.6	Confident	66 Å²	66	84.3 Å²	84.3	31%	0.306	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.7	-179	-173.7	83.7	0	0	0	113.1	S334 K339 K358 L359 W360	S334-H336 PolarHBondContact O-N 2.69Å; H336-K339 WeakPolarHBondContact O-CE 3.15Å; H336-K339 PolarHBondContact O-NZ 3.41Å; H336-K358 HydrophobicContact CB-CB 4.24Å; H336-L359 PolarHBondContact N-O 2.81Å; H336-W360 HydrophobicContact CB-CD2 4.29Å; H336-W360 HydrophobicContact CB-CH2 4.5Å; H336-W360 HydrophobicContact CB-CZ2 3.95Å; H336-W360 AromaticContact CD2-CZ2 3.7Å; H336-W360 AromaticContact CG-CZ2 3.95Å
337	H	96.2	Very high	82.5	Confident	103 Å²	103	80 Å²	80	48%	0.477	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-67.2	176.4	178.2	76.3	0	0	0	112.3	C335 K339 C364	C335-H337 PolarHBondContact O-N 2.81Å; C335-H337 PolarHBondContact SG-N 3.34Å; C335-H337 VanDerWaalsContact SG-N 3.39Å; H337-K339 PolarHBondContact O-N 3.07Å; H337-C364 HydrophobicContact CB-CB 4.15Å
338	C	96.8	Very high	85.2	Confident	41 Å²	41	76.7 Å²	76.7	28%	0.277	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.3	-170.2	76.3	0	0	0	0	115.3	K340 H361	C338-K340 PolarHBondContact O-N 3.48Å; C338-H361 PolarHBondContact SG-ND1 3.09Å; C338-H361 VanDerWaalsContact SG-ND1 3.39Å
339	K	96.5	Very high	88	Confident	139 Å²	139	70.4 Å²	70.4	60%	0.604	37%	0.374	S	S	*	.			trans	60.6	0.9	-178.7	-46.7	-54.1	-174.3	-175.4	0	116.4	C335 H336 H337	C335-K339 WeakPolarHBondContact O-CA 3.45Å; C335-K339 PolarHBondContact O-N 2.87Å; H336-K339 WeakPolarHBondContact O-CE 3.15Å; H336-K339 PolarHBondContact O-NZ 3.41Å; H337-K339 PolarHBondContact O-N 3.07Å
340	K	96.3	Very high	90.4	Very high	141 Å²	141	66 Å²	66	61%	0.613	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-71.8	153.1	172.7	-60.6	177.4	-177.1	178.2	0	110.6	S334 C335 C338	S334-K340 WeakPolarHBondContact CA-O 3.19Å; C335-K340 PolarHBondContact N-O 2.94Å; C338-K340 PolarHBondContact O-N 3.48Å
341	P	95	Very high	92.5	Very high	78 Å²	78	57 Å²	57	51%	0.506	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-61.3	153.3	173.8	26.3	-35	0	0	0	112.3	F333 H361	F333-P341 CarbonylContact O-C 3.54Å; F333-P341 VanDerWaalsContact O-CA 3.31Å; F333-P341 WeakPolarHBondContact O-CA 3.27Å; P341-H361 PolarHBondContact O-CE1 3.47Å; P341-H361 PolarHBondContact O-NE2 3.26Å
342	M	93.3	Very high	94	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.074	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-86.4	148	162.1	-57.4	-65.3	-51.8	0	0	108.6	P271 F333 C335 A348 L359 H361	P271-M342 HydrophobicContact CG-CB 4.35Å; F333-M342 HydrophobicContact CB-CB 3.83Å; F333-M342 HydrophobicContact CB-CG 4.02Å; F333-M342 PolarHBondContact O-N 3.34Å; C335-M342 HydrophobicContact CB-SD 4.12Å; M342-A348 HydrophobicContact CE-CB 3.87Å; M342-L359 HydrophobicContact CG-CD1 3.75Å; M342-L359 HydrophobicContact CG-CG 4.3Å; M342-H361 PolarHBondContact SD-CD2 3.15Å; M342-H361 PolarHBondContact SD-NE2 3.2Å; M342-H361 VanDerWaalsContact SD-NE2 3.43Å
343	L	89.6	Confident	94.6	Very high	108 Å²	108	53.7 Å²	53.7	57%	0.565	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-87.8	144	169.3	-59.6	-179.6	0	0	0	109.8	E346	L343-E346 HydrophobicContact CB-CB 4.37Å; L343-E346 HydrophobicContact CB-CG 3.9Å; L343-E346 PolarHBondContact O-N 2.86Å
344	L	87.8	Confident	94.7	Very high	128 Å²	128	52.3 Å²	52.3	67%	0.67	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	141	170.5	-71.4	164.3	0	0	0	109.6	F333 E346	F333-L344 HydrophobicContact CD2-CD2 4.42Å; F333-L344 HydrophobicContact CE2-CD2 4.17Å; L344-E346 PolarHBondContact O-N 3.39Å
345	G	89.4	Confident	94.6	Very high	42 Å²	42	50.7 Å²	50.7	43%	0.433	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	2.8	-173.6	0	0	0	0	0	115.4	L270 E272	L270-G345 VanDerWaalsContact CD2-C 3.49Å; E272-G345 WeakPolarHBondContact OE1-CA 3.48Å; E272-G345 PolarHBondContact OE1-N 3.17Å
346	E	92.9	Very high	94.3	Very high	23 Å²	23	54.5 Å²	54.5	11%	0.107	28%	0.279	C	S	.	.	S	Bend	trans	-100.6	134.9	172.6	-66.9	-159.2	140.7	0	0	112.6	R201 L205 P271 L343 L344 A348	R201-E346 IonicContact CZ-OE1 2.99Å; R201-E346 IonicContact NE-OE1 3.73Å; R201-E346 IonicContact NH2-OE1 3.87Å; R201-E346 PolarHBondContact NH2-OE1 2.94Å; L205-E346 HydrophobicContact CD1-CB 4.01Å; L205-E346 HydrophobicContact CD1-CG 4.2Å; P271-E346 VanDerWaalsContact CD-O 3.24Å; P271-E346 WeakPolarHBondContact CD-O 3.45Å; L343-E346 HydrophobicContact CB-CB 4.37Å; L343-E346 HydrophobicContact CB-CG 3.9Å; L343-E346 PolarHBondContact O-N 2.86Å; L344-E346 PolarHBondContact O-N 3.39Å; E346-A348 PolarHBondContact O-N 2.81Å
347	P	95.8	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-63.3	132.1	179.3	21.4	-29.6	0	0	0	111.8	L198 R201 L205 V268 P362	L198-P347 HydrophobicContact CD1-CB 3.75Å; L198-P347 HydrophobicContact CD1-CG 4.24Å; L198-P347 HydrophobicContact CG-CB 4.23Å; R201-P347 HydrophobicContact CB-CG 4.22Å; R201-P347 HydrophobicContact CG-CG 4.07Å; L205-P347 HydrophobicContact CD1-CG 4.1Å; V268-P347 HydrophobicContact CG1-CB 3.75Å; P347-P362 WeakPolarHBondContact O-CD 3.34Å
348	A	96.6	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	154.7	162.2	0	0	0	0	0	110.5	V268 L269 P271 M342 E346 Y350 L359 W360	V268-A348 WeakPolarHBondContact CA-O 3.32Å; L269-A348 PolarHBondContact N-O 3.13Å; L269-A348 VanDerWaalsContact N-O 3.15Å; L269-A348 PolarHBondContact O-N 3.45Å; P271-A348 HydrophobicContact CG-CB 4.1Å; M342-A348 HydrophobicContact CE-CB 3.87Å; E346-A348 PolarHBondContact O-N 2.81Å; A348-Y350 HydrophobicContact CB-CD2 4.24Å; A348-Y350 HydrophobicContact CB-CE2 3.67Å; A348-L359 HydrophobicContact CB-CB 4.05Å; A348-L359 HydrophobicContact CB-CD1 4.16Å; A348-W360 CarbonylContact C-O 3.52Å; A348-W360 WeakPolarHBondContact CA-O 3.47Å
349	V	97.3	Very high	93.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136	159.8	-166.1	0	0	0	0	108.5	Y202 D267 V268 L359 W360 F365 M377	Y202-V349 HydrophobicContact CD2-CG2 4.42Å; Y202-V349 HydrophobicContact CE2-CG2 3.58Å; D267-V349 CarbonylContact O-C 3.54Å; D267-V349 WeakPolarHBondContact O-CA 3.23Å; V268-V349 HydrophobicContact CG2-CG2 4.39Å; V349-L359 CarbonylContact O-C 3.53Å; V349-L359 WeakPolarHBondContact O-CA 3.42Å; V349-W360 HydrophobicContact CB-CB 4.46Å; V349-W360 PolarHBondContact N-O 2.77Å; V349-W360 PolarHBondContact O-N 2.91Å; V349-F365 HydrophobicContact CB-CB 4.36Å; V349-F365 HydrophobicContact CB-CD2 3.69Å; V349-F365 HydrophobicContact CB-CE2 4.13Å; V349-F365 HydrophobicContact CB-CG 4.02Å; V349-F365 HydrophobicContact CG1-CD1 4.06Å; V349-F365 HydrophobicContact CG1-CD2 3.49Å; V349-F365 VanDerWaalsContact CG1-CD2 3.49Å; V349-F365 HydrophobicContact CG1-CE1 4.07Å; V349-F365 HydrophobicContact CG1-CE2 3.47Å; V349-F365 VanDerWaalsContact CG1-CE2 3.47Å; V349-F365 HydrophobicContact CG1-CG 3.79Å; V349-F365 HydrophobicContact CG1-CZ 3.78Å; V349-F365 HydrophobicContact CG2-CB 4.08Å; V349-F365 HydrophobicContact CG2-CD2 4.32Å; V349-F365 HydrophobicContact CG2-CG 4.15Å; V349-M377 HydrophobicContact CG1-SD 4.32Å
350	Y	96.3	Very high	94	Very high	6 Å²	6	46.4 Å²	46.4	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.6	170	-72.2	-93.9	0	0	0	110.3	G266 D267 L269 P271 M274 A348 Y356 K358 L359	G266-Y350 CarbonylContact C-O 3.58Å; G266-Y350 VanDerWaalsContact CA-O 3.24Å; G266-Y350 WeakPolarHBondContact CA-O 3.44Å; D267-Y350 PolarHBondContact N-O 3.3Å; D267-Y350 PolarHBondContact O-N 3.07Å; L269-Y350 HydrophobicContact CB-CD2 4.22Å; L269-Y350 HydrophobicContact CB-CE2 4.26Å; P271-Y350 WeakPolarHBondContact CA-OH 3.45Å; M274-Y350 HydrophobicContact CB-CE1 4.22Å; M274-Y350 HydrophobicContact CB-CE2 4.17Å; M274-Y350 HydrophobicContact CG-CD1 4.45Å; M274-Y350 HydrophobicContact CG-CD2 4.01Å; M274-Y350 HydrophobicContact CG-CE1 4.07Å; M274-Y350 HydrophobicContact CG-CE2 3.6Å; M274-Y350 HydrophobicContact CG-CG 4.42Å; M274-Y350 HydrophobicContact SD-CD1 4.35Å; M274-Y350 HydrophobicContact SD-CD2 4.49Å; M274-Y350 HydrophobicContact SD-CE1 4.41Å; M274-Y350 HydrophobicContact SD-CG 4.39Å; A348-Y350 HydrophobicContact CB-CD2 4.24Å; A348-Y350 HydrophobicContact CB-CE2 3.67Å; Y350-Y356 HydrophobicContact CD1-CD1 4.01Å; Y350-Y356 HydrophobicContact CG-CD1 4.16Å; Y350-K358 VanDerWaalsContact CD1-O 3.3Å; Y350-K358 WeakPolarHBondContact CD1-O 3.34Å; Y350-L359 HydrophobicContact CD1-CB 4.14Å; Y350-L359 HydrophobicContact CE1-CB 3.65Å; Y350-L359 HydrophobicContact CE2-CB 4.25Å
351	A	95.9	Very high	94	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.			trans	-137.1	100	179.7	0	0	0	0	0	110	R353 A354 G355 W360 F365 Y379 M386	A351-R353 VanDerWaalsContact C-N 3.31Å; A351-R353 PolarHBondContact O-N 3.24Å; A351-R353 VanDerWaalsContact O-N 3.15Å; A351-A354 HydrophobicContact CB-CB 3.98Å; A351-A354 WeakPolarHBondContact O-CA 3.27Å; A351-A354 WeakPolarHBondContact O-CB 3.32Å; A351-A354 PolarHBondContact O-N 2.83Å; A351-G355 PolarHBondContact O-N 3.31Å; A351-G355 VanDerWaalsContact O-N 3.12Å; A351-W360 HydrophobicContact CB-CH2 4.16Å; A351-W360 HydrophobicContact CB-CZ3 3.83Å; A351-F365 HydrophobicContact CB-CE2 4.21Å; A351-F365 HydrophobicContact CB-CZ 4.46Å; A351-Y379 HydrophobicContact CB-CE1 3.83Å; A351-Y379 HydrophobicContact CB-CE2 4.16Å; A351-M386 HydrophobicContact CB-SD 4.41Å
352	E	93.9	Very high	94.1	Very high	72 Å²	72	37.7 Å²	37.7	34%	0.336	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-40.4	-51.6	179.6	-179.8	-168.5	-138.1	0	0	114.4	K71 A354 G355 Y356 Y379	K71-E352 IonicContact NZ-OE1 3.59Å; K71-E352 PolarHBondContact NZ-OE1 3.33Å; K71-E352 IonicContact NZ-OE2 3.44Å; K71-E352 PolarHBondContact NZ-OE2 3.49Å; E352-A354 PolarHBondContact O-N 3.3Å; E352-G355 WeakPolarHBondContact O-CA 3.44Å; E352-G355 PolarHBondContact O-N 2.87Å; E352-Y356 HydrophobicContact CB-CE2 4.05Å; E352-Y356 HydrophobicContact CG-CE2 4.05Å; E352-Y379 PolarHBondContact N-OH 3.06Å
353	R	94.9	Very high	94.3	Very high	74 Å²	74	39 Å²	39	28%	0.279	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-68.2	-21.2	-177.9	-64	-171.6	-175.9	-91.6	2.1	113.8	K259 D260 E261 A262 L263 A351 Y379 W381	K259-R353 PolarHBondContact O-NH2 2.93Å; D260-R353 VanDerWaalsContact O-CZ 3.28Å; D260-R353 PolarHBondContact O-NH1 3.41Å; D260-R353 PolarHBondContact O-NH2 2.91Å; E261-R353 PolarHBondContact O-NH1 3.26Å; A262-R353 VanDerWaalsContact O-CD 3.28Å; A262-R353 WeakPolarHBondContact O-CD 3.38Å; A262-R353 PolarHBondContact O-NE 3.16Å; L263-R353 VanDerWaalsContact O-CZ 3.29Å; L263-R353 PolarHBondContact O-NE 2.81Å; L263-R353 PolarHBondContact O-NH2 3.38Å; A351-R353 VanDerWaalsContact C-N 3.31Å; A351-R353 PolarHBondContact O-N 3.24Å; A351-R353 VanDerWaalsContact O-N 3.15Å; R353-Y379 HydrophobicContact CB-CE2 4.21Å; R353-Y379 PolarHBondContact N-OH 2.95Å; R353-W381 HydrophobicContact CB-CB 3.83Å; R353-W381 HydrophobicContact CB-CG 3.99Å; R353-W381 PolarHBondContact O-NE1 2.63Å
354	A	94.9	Very high	94.7	Very high	7 Å²	7	34.7 Å²	34.7	6%	0.058	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-83.4	-18.5	171.1	0	0	0	0	0	112.4	A351 E352 K358 W360 W381	A351-A354 HydrophobicContact CB-CB 3.98Å; A351-A354 WeakPolarHBondContact O-CA 3.27Å; A351-A354 WeakPolarHBondContact O-CB 3.32Å; A351-A354 PolarHBondContact O-N 2.83Å; E352-A354 PolarHBondContact O-N 3.3Å; A354-K358 HydrophobicContact CB-CD 4.19Å; A354-K358 WeakPolarHBondContact O-CD 3.29Å; A354-K358 VanDerWaalsContact O-CE 3.31Å; A354-K358 WeakPolarHBondContact O-CE 3.22Å; A354-K358 PolarHBondContact O-NZ 3.23Å; A354-W360 HydrophobicContact CB-CH2 3.73Å; A354-W360 HydrophobicContact CB-CZ3 4.48Å; A354-W381 HydrophobicContact CB-CD2 3.98Å; A354-W381 HydrophobicContact CB-CE3 3.88Å; A354-W381 HydrophobicContact CB-CH2 3.5Å; A354-W381 VanDerWaalsContact CB-CH2 3.5Å; A354-W381 HydrophobicContact CB-CZ2 3.56Å; A354-W381 HydrophobicContact CB-CZ3 3.65Å
355	G	93.4	Very high	95.2	Very high	21 Å²	21	28.7 Å²	28.7	22%	0.216	16%	0.158	C	C	.	.			trans	94.1	138.4	-171.5	0	0	0	0	0	112.2	A351 E352 D357 K358	A351-G355 PolarHBondContact O-N 3.31Å; A351-G355 VanDerWaalsContact O-N 3.12Å; E352-G355 WeakPolarHBondContact O-CA 3.44Å; E352-G355 PolarHBondContact O-N 2.87Å; G355-D357 VanDerWaalsContact C-OD1 3.31Å; G355-D357 WeakPolarHBondContact CA-OD1 3.39Å; G355-D357 PolarHBondContact O-N 2.87Å; G355-D357 VanDerWaalsContact O-N 3.11Å; G355-K358 PolarHBondContact O-N 3.17Å
356	Y	92.1	Very high	95.7	Very high	81 Å²	81	27.3 Å²	27.3	32%	0.318	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	4.4	177.4	-65.9	-85	0	0	0	113.9	D267 M274 Q278 Y350 E352	D267-Y356 PolarHBondContact OD2-OH 3.36Å; M274-Y356 HydrophobicContact SD-CD1 3.73Å; M274-Y356 HydrophobicContact SD-CE1 4.31Å; M274-Y356 HydrophobicContact SD-CG 4.48Å; Q278-Y356 PolarHBondContact NE2-O 3.23Å; Y350-Y356 HydrophobicContact CD1-CD1 4.01Å; Y350-Y356 HydrophobicContact CG-CD1 4.16Å; E352-Y356 HydrophobicContact CB-CE2 4.05Å; E352-Y356 HydrophobicContact CG-CE2 4.05Å
357	D	89.8	Confident	95.9	Very high	113 Å²	113	26.2 Å²	26.2	60%	0.604	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.8	163.1	68.7	-58.9	0	0	0	112.3	G355	G355-D357 VanDerWaalsContact C-OD1 3.31Å; G355-D357 WeakPolarHBondContact CA-OD1 3.39Å; G355-D357 PolarHBondContact O-N 2.87Å; G355-D357 VanDerWaalsContact O-N 3.11Å
358	K	93.9	Very high	96	Very high	44 Å²	44	29.1 Å²	29.1	19%	0.191	16%	0.156	C	C	.	.			trans	-116.5	135.7	-178.2	-59.6	169.6	-162.6	65.3	0	110.6	H336 Y350 A354 G355 W360	H336-K358 HydrophobicContact CB-CB 4.24Å; Y350-K358 VanDerWaalsContact CD1-O 3.3Å; Y350-K358 WeakPolarHBondContact CD1-O 3.34Å; A354-K358 HydrophobicContact CB-CD 4.19Å; A354-K358 WeakPolarHBondContact O-CD 3.29Å; A354-K358 VanDerWaalsContact O-CE 3.31Å; A354-K358 WeakPolarHBondContact O-CE 3.22Å; A354-K358 PolarHBondContact O-NZ 3.23Å; G355-K358 PolarHBondContact O-N 3.17Å; K358-W360 HydrophobicContact CB-CH2 3.51Å; K358-W360 HydrophobicContact CB-CZ2 4.34Å; K358-W360 HydrophobicContact CB-CZ3 3.7Å; K358-W360 HydrophobicContact CD-CH2 4.44Å; K358-W360 WeakPolarHBondContact O-CZ3 3.33Å
359	L	96.2	Very high	96.1	Very high	14 Å²	14	33 Å²	33	7%	0.073	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.3	-176.4	71.7	170.9	0	0	0	111	P271 F333 S334 C335 H336 M342 A348 V349 Y350	P271-L359 HydrophobicContact CB-CD1 4.18Å; P271-L359 HydrophobicContact CG-CD1 4.13Å; F333-L359 HydrophobicContact CB-CD1 4.12Å; F333-L359 HydrophobicContact CD1-CD1 4.26Å; S334-L359 WeakPolarHBondContact O-CD2 3.45Å; C335-L359 CarbonylContact C-O 3.59Å; C335-L359 WeakPolarHBondContact CA-O 3.47Å; H336-L359 PolarHBondContact N-O 2.81Å; M342-L359 HydrophobicContact CG-CD1 3.75Å; M342-L359 HydrophobicContact CG-CG 4.3Å; A348-L359 HydrophobicContact CB-CB 4.05Å; A348-L359 HydrophobicContact CB-CD1 4.16Å; V349-L359 CarbonylContact O-C 3.53Å; V349-L359 WeakPolarHBondContact O-CA 3.42Å; Y350-L359 HydrophobicContact CD1-CB 4.14Å; Y350-L359 HydrophobicContact CE1-CB 3.65Å; Y350-L359 HydrophobicContact CE2-CB 4.25Å
360	W	97.8	Very high	96	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.9	-177.7	-66.9	-106	0	0	0	111.5	H336 A348 V349 A351 A354 K358 F365 M386	H336-W360 HydrophobicContact CB-CD2 4.29Å; H336-W360 HydrophobicContact CB-CH2 4.5Å; H336-W360 HydrophobicContact CB-CZ2 3.95Å; H336-W360 AromaticContact CD2-CZ2 3.7Å; H336-W360 AromaticContact CG-CZ2 3.95Å; A348-W360 CarbonylContact C-O 3.52Å; A348-W360 WeakPolarHBondContact CA-O 3.47Å; V349-W360 HydrophobicContact CB-CB 4.46Å; V349-W360 PolarHBondContact N-O 2.77Å; V349-W360 PolarHBondContact O-N 2.91Å; A351-W360 HydrophobicContact CB-CH2 4.16Å; A351-W360 HydrophobicContact CB-CZ3 3.83Å; A354-W360 HydrophobicContact CB-CH2 3.73Å; A354-W360 HydrophobicContact CB-CZ3 4.48Å; K358-W360 HydrophobicContact CB-CH2 3.51Å; K358-W360 HydrophobicContact CB-CZ2 4.34Å; K358-W360 HydrophobicContact CB-CZ3 3.7Å; K358-W360 HydrophobicContact CD-CH2 4.44Å; K358-W360 WeakPolarHBondContact O-CZ3 3.33Å; W360-F365 HydrophobicContact CB-CB 4.42Å; W360-F365 HydrophobicContact CB-CD2 4Å; W360-F365 HydrophobicContact CD2-CD2 4.09Å; W360-F365 HydrophobicContact CD2-CE2 4.37Å; W360-F365 HydrophobicContact CE3-CD2 4.31Å; W360-F365 HydrophobicContact CE3-CE2 4.24Å; W360-F365 AromaticContact CG-CD2 3.97Å; W360-F365 HydrophobicContact CG-CD2 3.97Å; W360-M386 HydrophobicContact CD2-CE 4.37Å; W360-M386 HydrophobicContact CZ2-CE 4.13Å
361	H	97.9	Very high	96	Very high	35 Å²	35	39 Å²	39	16%	0.162	22%	0.222	C	C	.	.			trans	-59.3	149.6	160	-58.5	104.1	0	0	0	109.2	C335 C338 P341 M342 A363 C364 F365	C335-H361 VanDerWaalsContact CB-CE1 3.41Å; C335-H361 WeakPolarHBondContact CB-CE1 3.27Å; C335-H361 WeakPolarHBondContact CB-ND1 3.45Å; C338-H361 PolarHBondContact SG-ND1 3.09Å; C338-H361 VanDerWaalsContact SG-ND1 3.39Å; P341-H361 PolarHBondContact O-CE1 3.47Å; P341-H361 PolarHBondContact O-NE2 3.26Å; M342-H361 PolarHBondContact SD-CD2 3.15Å; M342-H361 PolarHBondContact SD-NE2 3.2Å; M342-H361 VanDerWaalsContact SD-NE2 3.43Å; H361-A363 VanDerWaalsContact C-N 3.32Å; H361-A363 PolarHBondContact O-N 3.19Å; H361-C364 HydrophobicContact CB-CB 4.04Å; H361-C364 WeakPolarHBondContact O-CA 3.19Å; H361-C364 WeakPolarHBondContact O-CB 3.28Å; H361-C364 PolarHBondContact O-N 3.13Å; H361-F365 PolarHBondContact O-N 3.4Å
362	P	97.4	Very high	96.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-50.7	-47.7	176.7	-33.1	40.7	0	0	0	113.4	Y202 L205 L206 P347 C364 F365	Y202-P362 HydrophobicContact CD2-CB 3.7Å; Y202-P362 HydrophobicContact CD2-CG 3.52Å; Y202-P362 HydrophobicContact CE2-CB 3.5Å; Y202-P362 VanDerWaalsContact CE2-CB 3.5Å; Y202-P362 HydrophobicContact CE2-CG 3.76Å; Y202-P362 HydrophobicContact CG-CB 4.41Å; Y202-P362 HydrophobicContact CG-CG 4.34Å; L205-P362 HydrophobicContact CB-CB 4.1Å; L205-P362 HydrophobicContact CB-CG 3.85Å; L205-P362 HydrophobicContact CD1-CG 4.36Å; L206-P362 HydrophobicContact CD2-CB 3.72Å; L206-P362 HydrophobicContact CG-CB 4.47Å; P347-P362 WeakPolarHBondContact O-CD 3.34Å; P362-C364 PolarHBondContact O-N 3.19Å; P362-F365 PolarHBondContact O-N 2.98Å
363	A	97.4	Very high	96.3	Very high	41 Å²	41	39.2 Å²	39.2	34%	0.339	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-68.8	-8.9	175.8	0	0	0	0	0	115.3	P207 H361	P207-A363 HydrophobicContact CG-CB 4.38Å; H361-A363 VanDerWaalsContact C-N 3.32Å; H361-A363 PolarHBondContact O-N 3.19Å
364	C	98	Very high	96.4	Very high	18 Å²	18	36 Å²	36	12%	0.122	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-104.5	-0.4	-179.8	-72.4	0	0	0	0	113.4	H337 H361 P362 V366	H337-C364 HydrophobicContact CB-CB 4.15Å; H361-C364 HydrophobicContact CB-CB 4.04Å; H361-C364 WeakPolarHBondContact O-CA 3.19Å; H361-C364 WeakPolarHBondContact O-CB 3.28Å; H361-C364 PolarHBondContact O-N 3.13Å; P362-C364 PolarHBondContact O-N 3.19Å; C364-V366 PolarHBondContact O-N 3.42Å
365	F	98.1	Very high	96.4	Very high	2 Å²	2	36 Å²	36	1%	0.009	21%	0.211	C	C	.	.			trans	-82.4	71.2	177.4	-159.9	-106.2	0	0	0	110.4	V349 A351 W360 H361 P362 L374 M377 Y379 M386	V349-F365 HydrophobicContact CB-CB 4.36Å; V349-F365 HydrophobicContact CB-CD2 3.69Å; V349-F365 HydrophobicContact CB-CE2 4.13Å; V349-F365 HydrophobicContact CB-CG 4.02Å; V349-F365 HydrophobicContact CG1-CD1 4.06Å; V349-F365 HydrophobicContact CG1-CD2 3.49Å; V349-F365 VanDerWaalsContact CG1-CD2 3.49Å; V349-F365 HydrophobicContact CG1-CE1 4.07Å; V349-F365 HydrophobicContact CG1-CE2 3.47Å; V349-F365 VanDerWaalsContact CG1-CE2 3.47Å; V349-F365 HydrophobicContact CG1-CG 3.79Å; V349-F365 HydrophobicContact CG1-CZ 3.78Å; V349-F365 HydrophobicContact CG2-CB 4.08Å; V349-F365 HydrophobicContact CG2-CD2 4.32Å; V349-F365 HydrophobicContact CG2-CG 4.15Å; A351-F365 HydrophobicContact CB-CE2 4.21Å; A351-F365 HydrophobicContact CB-CZ 4.46Å; W360-F365 HydrophobicContact CB-CB 4.42Å; W360-F365 HydrophobicContact CB-CD2 4Å; W360-F365 HydrophobicContact CD2-CD2 4.09Å; W360-F365 HydrophobicContact CD2-CE2 4.37Å; W360-F365 HydrophobicContact CE3-CD2 4.31Å; W360-F365 HydrophobicContact CE3-CE2 4.24Å; W360-F365 AromaticContact CG-CD2 3.97Å; W360-F365 HydrophobicContact CG-CD2 3.97Å; H361-F365 PolarHBondContact O-N 3.4Å; P362-F365 PolarHBondContact O-N 2.98Å; F365-L374 HydrophobicContact CD1-CB 3.84Å; F365-L374 HydrophobicContact CD1-CD1 3.77Å; F365-L374 HydrophobicContact CD1-CG 4.39Å; F365-L374 HydrophobicContact CE1-CB 4.01Å; F365-L374 HydrophobicContact CE1-CD1 3.72Å; F365-L374 HydrophobicContact CG-CD1 4.3Å; F365-L374 HydrophobicContact CZ-CD1 4.25Å; F365-L374 PolarHBondContact O-N 2.83Å; F365-M377 HydrophobicContact CD1-CB 4.29Å; F365-M377 HydrophobicContact CE1-CB 3.96Å; F365-Y379 HydrophobicContact CE1-CD1 4.19Å; F365-Y379 AromaticContact CZ-CD1 3.66Å; F365-Y379 HydrophobicContact CZ-CD1 3.66Å; F365-Y379 HydrophobicContact CZ-CE1 4.28Å; F365-Y379 HydrophobicContact CZ-CG 4.17Å; F365-M386 HydrophobicContact CD2-CE 3.52Å; F365-M386 HydrophobicContact CD2-SD 4.32Å; F365-M386 HydrophobicContact CE1-SD 4.48Å; F365-M386 HydrophobicContact CE2-CE 3.39Å; F365-M386 HydrophobicContact CE2-SD 3.57Å; F365-M386 VanDerWaalsContact CE2-SD 3.57Å; F365-M386 HydrophobicContact CG-CE 4.19Å; F365-M386 HydrophobicContact CZ-CE 3.93Å; F365-M386 HydrophobicContact CZ-SD 3.66Å
366	V	98.3	Very high	96.4	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.079	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-116.3	153.7	-168.1	-62.3	0	0	0	0	113.5	C364 S371 E372 L373	C364-V366 PolarHBondContact O-N 3.42Å; V366-S371 WeakPolarHBondContact CG1-O 3.31Å; V366-E372 CarbonylContact C-O 3.56Å; V366-E372 WeakPolarHBondContact CA-O 3.38Å; V366-E372 WeakPolarHBondContact CB-O 3.35Å; V366-L373 HydrophobicContact CG1-CD2 4.01Å
367	C	98.4	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.			trans	-69.8	130.5	169.5	170.7	0	0	0	0	110.6	T369 S371 E372 L374 C388	C367-T369 PolarHBondContact O-N 2.95Å; C367-T369 VanDerWaalsContact O-N 3.09Å; C367-T369 PolarHBondContact SG-N 3.31Å; C367-S371 VanDerWaalsContact O-CA 3.25Å; C367-S371 WeakPolarHBondContact O-CA 3.26Å; C367-S371 PolarHBondContact O-N 2.97Å; C367-E372 PolarHBondContact N-O 3.41Å; C367-L374 HydrophobicContact CB-CD2 3.87Å; C367-C388 HydrophobicContact CB-CB 4.11Å; C367-C388 PolarHBondContact SG-N 2.98Å; C367-C388 VanDerWaalsContact SG-N 3.41Å
368	C	97.7	Very high	96.7	Very high	62 Å²	62	26.2 Å²	26.2	42%	0.419	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-2.8	-177.3	70.4	0	0	0	0	115.8	M386 Y387	C368-M386 PolarHBondContact N-O 2.98Å; C368-M386 PolarHBondContact SG-O 2.95Å; C368-M386 VanDerWaalsContact SG-O 3.35Å; C368-Y387 VanDerWaalsContact SG-CE1 3.53Å
369	T	97.8	Very high	96.8	Very high	80 Å²	80	24.1 Å²	24.1	49%	0.491	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-49.6	178.1	-53.2	0	0	0	0	111.9	C367 H391	C367-T369 PolarHBondContact O-N 2.95Å; C367-T369 VanDerWaalsContact O-N 3.09Å; C367-T369 PolarHBondContact SG-N 3.31Å; T369-H391 HydrophobicContact CG2-CB 4.43Å
370	C	96.4	Very high	96.9	Very high	51 Å²	51	23.8 Å²	23.8	35%	0.345	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-6.3	-179.1	52.7	0	0	0	0	114.7	E372 H391	C370-E372 HydrophobicContact CB-CG 4.47Å; C370-E372 PolarHBondContact O-N 2.83Å; C370-E372 VanDerWaalsContact O-N 3.09Å; C370-H391 PolarHBondContact SG-CE1 2.88Å
371	S	96.9	Very high	96.9	Very high	83 Å²	83	25.5 Å²	25.5	58%	0.58	15%	0.154	S	C	*	.			trans	58.1	15.4	-174.1	-55.3	0	0	0	0	114.9	V366 C367	V366-S371 WeakPolarHBondContact CG1-O 3.31Å; C367-S371 VanDerWaalsContact O-CA 3.25Å; C367-S371 WeakPolarHBondContact O-CA 3.26Å; C367-S371 PolarHBondContact O-N 2.97Å
372	E	97.4	Very high	96.8	Very high	55 Å²	55	25.3 Å²	25.3	26%	0.257	15%	0.153	S	C	.	.			trans	-83.7	149.8	176.4	-80.7	-59.6	154.1	0	0	112.5	K210 Y221 Q225 V366 C367 C370 L374	K210-E372 IonicContact NZ-OE1 3.6Å; K210-E372 PolarHBondContact NZ-OE1 2.87Å; K210-E372 IonicContact NZ-OE2 3.23Å; K210-E372 PolarHBondContact NZ-OE2 3.01Å; Y221-E372 WeakPolarHBondContact CE2-OE2 3.07Å; Y221-E372 PolarHBondContact OH-OE2 2.92Å; Q225-E372 PolarHBondContact NE2-OE2 2.88Å; V366-E372 CarbonylContact C-O 3.56Å; V366-E372 WeakPolarHBondContact CA-O 3.38Å; V366-E372 WeakPolarHBondContact CB-O 3.35Å; C367-E372 PolarHBondContact N-O 3.41Å; C370-E372 HydrophobicContact CB-CG 4.47Å; C370-E372 PolarHBondContact O-N 2.83Å; C370-E372 VanDerWaalsContact O-N 3.09Å; E372-L374 PolarHBondContact O-N 3.12Å
373	L	97.9	Very high	96.7	Very high	20 Å²	20	34.6 Å²	34.6	11%	0.105	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-59.5	132	177.9	-61	171.9	0	0	0	109.8	L206 K210 Y221 Q229 V366 V375	L206-L373 HydrophobicContact CD2-CD1 4.26Å; K210-L373 HydrophobicContact CB-CD1 3.88Å; K210-L373 HydrophobicContact CD-CD1 3.82Å; K210-L373 HydrophobicContact CD-CG 4.36Å; K210-L373 HydrophobicContact CG-CD1 4.45Å; Y221-L373 HydrophobicContact CE1-CD1 4.39Å; Q229-L373 PolarHBondContact NE2-O 3.44Å; V366-L373 HydrophobicContact CG1-CD2 4.01Å; L373-V375 PolarHBondContact O-N 2.87Å; L373-V375 VanDerWaalsContact O-N 3.16Å
374	L	97.5	Very high	96.6	Very high	6 Å²	6	35 Å²	35	3%	0.031	20%	0.202	C	C	.	.			trans	-68	113.6	177.4	-68.5	159.6	0	0	0	108.9	F365 C367 E372 D376 M377 M386 Y387 C388	F365-L374 HydrophobicContact CD1-CB 3.84Å; F365-L374 HydrophobicContact CD1-CD1 3.77Å; F365-L374 HydrophobicContact CD1-CG 4.39Å; F365-L374 HydrophobicContact CE1-CB 4.01Å; F365-L374 HydrophobicContact CE1-CD1 3.72Å; F365-L374 HydrophobicContact CG-CD1 4.3Å; F365-L374 HydrophobicContact CZ-CD1 4.25Å; F365-L374 PolarHBondContact O-N 2.83Å; C367-L374 HydrophobicContact CB-CD2 3.87Å; E372-L374 PolarHBondContact O-N 3.12Å; L374-D376 PolarHBondContact O-N 2.65Å; L374-M377 PolarHBondContact O-N 2.95Å; L374-M386 HydrophobicContact CD1-CE 3.63Å; L374-M386 HydrophobicContact CD1-CG 3.67Å; L374-M386 HydrophobicContact CD1-SD 3.89Å; L374-Y387 WeakPolarHBondContact CD2-O 3.42Å; L374-C388 HydrophobicContact CD2-CB 3.94Å
375	V	94.3	Very high	96.5	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.048	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-64.1	130.4	-167.7	70.4	0	0	0	0	110.4	R222 Q225 M226 Q229 L230 L373 M377 I378	R222-V375 HydrophobicContact CG-CG2 4.15Å; Q225-V375 HydrophobicContact CB-CB 4.09Å; Q225-V375 HydrophobicContact CB-CG2 3.9Å; M226-V375 HydrophobicContact CE-CB 4.34Å; M226-V375 HydrophobicContact CE-CG1 3.66Å; M226-V375 HydrophobicContact CE-CG2 3.85Å; M226-V375 HydrophobicContact CG-CG2 3.94Å; Q229-V375 HydrophobicContact CB-CG1 3.85Å; Q229-V375 HydrophobicContact CG-CG1 4.35Å; Q229-V375 VanDerWaalsContact OE1-N 3.09Å; L230-V375 HydrophobicContact CD1-CG1 4.17Å; L230-V375 HydrophobicContact CG-CG1 4.36Å; L373-V375 PolarHBondContact O-N 2.87Å; L373-V375 VanDerWaalsContact O-N 3.16Å; V375-M377 PolarHBondContact O-N 3.43Å; V375-I378 WeakPolarHBondContact O-CB 3.4Å; V375-I378 WeakPolarHBondContact O-CG1 3.44Å; V375-I378 PolarHBondContact O-N 2.63Å
376	D	93.1	Very high	96.4	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	50.8	26.4	-174.6	-62.9	1.5	0	0	0	114.4	Y87 W189 R222 M226 L374 I378	Y87-D376 HydrophobicContact CE1-CB 4.47Å; Y87-D376 WeakPolarHBondContact CE1-OD2 3.18Å; W189-D376 HydrophobicContact CD2-CB 4.3Å; W189-D376 HydrophobicContact CZ2-CB 3.9Å; W189-D376 WeakPolarHBondContact CZ2-O 3.36Å; W189-D376 VanDerWaalsContact NE1-CG 3.26Å; W189-D376 PolarHBondContact NE1-OD2 3.49Å; R222-D376 WeakPolarHBondContact CD-OD1 3.28Å; R222-D376 IonicContact CZ-OD1 2.78Å; R222-D376 IonicContact CZ-OD2 3.95Å; R222-D376 IonicContact NE-OD1 2.69Å; R222-D376 PolarHBondContact NE-OD1 2.72Å; R222-D376 IonicContact NE-OD2 2.68Å; R222-D376 PolarHBondContact NE-OD2 2.64Å; R222-D376 IonicContact NH2-OD1 2.71Å; R222-D376 IonicContact NH2-OD2 2.65Å; R222-D376 PolarHBondContact NH2-OD2 2.96Å; M226-D376 HydrophobicContact CE-CB 4.24Å; L374-D376 PolarHBondContact O-N 2.65Å; D376-I378 HydrophobicContact CB-CD1 3.97Å; D376-I378 HydrophobicContact CB-CG1 4.23Å; D376-I378 PolarHBondContact O-N 2.77Å
377	M	93.4	Very high	96.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	61.8	17.7	-174.3	-44.7	178.3	-61.4	0	0	114.3	W189 P191 Y202 V265 G266 V268 V349 F365 L374 V375 Y379	W189-M377 HydrophobicContact CH2-CE 3.76Å; W189-M377 HydrophobicContact CH2-CG 3.8Å; W189-M377 HydrophobicContact CH2-SD 3.98Å; W189-M377 HydrophobicContact CZ2-CE 3.9Å; W189-M377 HydrophobicContact CZ2-CG 4.29Å; P191-M377 HydrophobicContact CB-CE 3.66Å; P191-M377 HydrophobicContact CB-SD 4.19Å; Y202-M377 HydrophobicContact CE2-SD 4.15Å; V265-M377 WeakPolarHBondContact CA-O 3.39Å; G266-M377 PolarHBondContact N-O 3.33Å; G266-M377 WeakPolarHBondContact O-CE 3.48Å; V268-M377 HydrophobicContact CG2-CE 3.88Å; V268-M377 HydrophobicContact CG2-SD 3.3Å; V268-M377 WeakPolarHBondContact CG2-SD 3.13Å; V349-M377 HydrophobicContact CG1-SD 4.32Å; F365-M377 HydrophobicContact CD1-CB 4.29Å; F365-M377 HydrophobicContact CE1-CB 3.96Å; L374-M377 PolarHBondContact O-N 2.95Å; V375-M377 PolarHBondContact O-N 3.43Å; M377-Y379 PolarHBondContact O-N 2.94Å
378	I	94.4	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.8	178	-56.9	163.4	0	0	0	108.1	L66 F67 Y87 M226 L230 L263 V265 V375 D376 F380	L66-I378 HydrophobicContact CD2-CG2 4.03Å; F67-I378 HydrophobicContact CE1-CG2 4.47Å; F67-I378 HydrophobicContact CE2-CD1 4.1Å; F67-I378 HydrophobicContact CZ-CD1 3.73Å; F67-I378 HydrophobicContact CZ-CG1 3.91Å; F67-I378 HydrophobicContact CZ-CG2 3.98Å; Y87-I378 HydrophobicContact CE2-CD1 4.19Å; M226-I378 HydrophobicContact CE-CD1 3.92Å; L230-I378 HydrophobicContact CD1-CB 4.25Å; L230-I378 HydrophobicContact CD1-CD1 3.55Å; L230-I378 HydrophobicContact CD1-CG1 4.5Å; L230-I378 HydrophobicContact CD1-CG2 4.01Å; L230-I378 HydrophobicContact CD2-CG2 4.05Å; L263-I378 HydrophobicContact CD1-CG2 3.93Å; V265-I378 HydrophobicContact CG2-CG1 4.46Å; V375-I378 WeakPolarHBondContact O-CB 3.4Å; V375-I378 WeakPolarHBondContact O-CG1 3.44Å; V375-I378 PolarHBondContact O-N 2.63Å; D376-I378 HydrophobicContact CB-CD1 3.97Å; D376-I378 HydrophobicContact CB-CG1 4.23Å; D376-I378 PolarHBondContact O-N 2.77Å; I378-F380 HydrophobicContact CG2-CE2 4.41Å
379	Y	97.1	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.3	-172.1	74.8	-96	0	0	0	112.8	G264 V265 A351 E352 R353 F365 M377 W381 M386	G264-Y379 VanDerWaalsContact C-CE1 3.45Å; G264-Y379 PolarHBondContact N-O 2.98Å; G264-Y379 WeakPolarHBondContact O-CD1 3.42Å; G264-Y379 PolarHBondContact O-N 2.94Å; V265-Y379 VanDerWaalsContact C-CE1 3.48Å; A351-Y379 HydrophobicContact CB-CE1 3.83Å; A351-Y379 HydrophobicContact CB-CE2 4.16Å; E352-Y379 PolarHBondContact N-OH 3.06Å; R353-Y379 HydrophobicContact CB-CE2 4.21Å; R353-Y379 PolarHBondContact N-OH 2.95Å; F365-Y379 HydrophobicContact CE1-CD1 4.19Å; F365-Y379 AromaticContact CZ-CD1 3.66Å; F365-Y379 HydrophobicContact CZ-CD1 3.66Å; F365-Y379 HydrophobicContact CZ-CE1 4.28Å; F365-Y379 HydrophobicContact CZ-CG 4.17Å; M377-Y379 PolarHBondContact O-N 2.94Å; Y379-W381 HydrophobicContact CD2-CB 4.24Å; Y379-W381 HydrophobicContact CE2-CB 4.01Å; Y379-M386 HydrophobicContact CD2-CG 4.06Å; Y379-M386 HydrophobicContact CD2-SD 4.05Å; Y379-M386 HydrophobicContact CG-CG 4.17Å; Y379-M386 HydrophobicContact CG-SD 3.99Å
380	F	97.7	Very high	96.1	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.8	175.9	-67.8	-107.8	0	0	0	108.6	L66 L230 C258 A262 L263 I378 Y387 G389 Y392	L66-F380 HydrophobicContact CD1-CE1 4.42Å; L66-F380 HydrophobicContact CD1-CZ 3.88Å; L66-F380 HydrophobicContact CD2-CZ 4.36Å; L230-F380 HydrophobicContact CD2-CE2 3.78Å; L230-F380 HydrophobicContact CD2-CZ 4.31Å; C258-F380 HydrophobicContact CB-CE1 4.25Å; A262-F380 HydrophobicContact CB-CB 4.47Å; A262-F380 HydrophobicContact CB-CD1 4.26Å; A262-F380 CarbonylContact O-C 3.54Å; A262-F380 WeakPolarHBondContact O-CA 3.47Å; L263-F380 HydrophobicContact CB-CE1 4.44Å; L263-F380 HydrophobicContact CD1-CE1 4.29Å; L263-F380 HydrophobicContact CD1-CE2 4.06Å; L263-F380 HydrophobicContact CD1-CZ 3.88Å; I378-F380 HydrophobicContact CG2-CE2 4.41Å; F380-Y387 PolarHBondContact N-O 3.44Å; F380-Y387 PolarHBondContact O-N 2.91Å; F380-G389 VanDerWaalsContact CD2-CA 3.49Å; F380-Y392 HydrophobicContact CB-CD2 3.61Å; F380-Y392 HydrophobicContact CB-CE2 4.44Å; F380-Y392 HydrophobicContact CB-CG 3.67Å; F380-Y392 AromaticContact CD1-CD1 3.81Å; F380-Y392 HydrophobicContact CD1-CD1 3.81Å; F380-Y392 HydrophobicContact CD1-CD2 4.26Å; F380-Y392 HydrophobicContact CD1-CE1 4.37Å; F380-Y392 AromaticContact CD1-CG 3.76Å; F380-Y392 HydrophobicContact CD1-CG 3.76Å; F380-Y392 HydrophobicContact CE1-CD1 4.45Å; F380-Y392 HydrophobicContact CG-CD1 4.47Å; F380-Y392 HydrophobicContact CG-CD2 4.35Å; F380-Y392 AromaticContact CG-CG 3.97Å; F380-Y392 HydrophobicContact CG-CG 3.97Å
381	W	97.6	Very high	96.2	Very high	45 Å²	45	35.9 Å²	35.9	17%	0.17	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.1	-177.3	-173.6	-109.4	0	0	0	111.6	A262 R353 A354 Y379 G384 K385 M386	A262-W381 PolarHBondContact O-N 2.62Å; R353-W381 HydrophobicContact CB-CB 3.83Å; R353-W381 HydrophobicContact CB-CG 3.99Å; R353-W381 PolarHBondContact O-NE1 2.63Å; A354-W381 HydrophobicContact CB-CD2 3.98Å; A354-W381 HydrophobicContact CB-CE3 3.88Å; A354-W381 HydrophobicContact CB-CH2 3.5Å; A354-W381 VanDerWaalsContact CB-CH2 3.5Å; A354-W381 HydrophobicContact CB-CZ2 3.56Å; A354-W381 HydrophobicContact CB-CZ3 3.65Å; Y379-W381 HydrophobicContact CD2-CB 4.24Å; Y379-W381 HydrophobicContact CE2-CB 4.01Å; W381-G384 VanDerWaalsContact CH2-C 3.48Å; W381-G384 WeakPolarHBondContact CH2-O 3.45Å; W381-K385 VanDerWaalsContact CE3-O 3.26Å; W381-M386 HydrophobicContact CE3-CB 3.93Å; W381-M386 HydrophobicContact CE3-CG 4.3Å; W381-M386 HydrophobicContact CZ3-CB 4.03Å
382	K	96.6	Very high	96.3	Very high	30 Å²	30	32.1 Å²	32.1	13%	0.13	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	126.1	-177.9	178.3	169.6	168.5	174	0	111	G384 K385 Y387 Y392 S395 E396	K382-G384 VanDerWaalsContact C-N 3.28Å; K382-G384 PolarHBondContact O-N 3.28Å; K382-K385 PolarHBondContact N-O 3.3Å; K382-K385 PolarHBondContact O-N 2.59Å; K382-Y387 HydrophobicContact CB-CD2 4.12Å; K382-Y387 HydrophobicContact CB-CE2 3.93Å; K382-Y392 HydrophobicContact CB-CD2 4.22Å; K382-Y392 HydrophobicContact CB-CE2 4Å; K382-Y392 HydrophobicContact CD-CD2 4.06Å; K382-Y392 HydrophobicContact CD-CE2 3.75Å; K382-Y392 HydrophobicContact CG-CE2 4.41Å; K382-S395 VanDerWaalsContact NZ-C 3.3Å; K382-S395 PolarHBondContact NZ-O 3.37Å; K382-S395 PolarHBondContact NZ-OG 3.12Å; K382-E396 WeakPolarHBondContact CE-OE1 3.35Å; K382-E396 IonicContact NZ-OE1 3.74Å; K382-E396 PolarHBondContact NZ-OE1 3.05Å
383	K	95.4	Very high	96.2	Very high	196 Å²	196	29.5 Å²	29.5	85%	0.852	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	44.2	173.9	-60.6	-178.2	177.6	-178	0	113.7	K385	K383-K385 VanDerWaalsContact C-N 3.31Å; K383-K385 PolarHBondContact O-N 2.94Å
384	G	94.4	Very high	96.1	Very high	50 Å²	50	31.2 Å²	31.2	52%	0.515	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	11.6	179.8	0	0	0	0	0	115.3	W381 K382	W381-G384 VanDerWaalsContact CH2-C 3.48Å; W381-G384 WeakPolarHBondContact CH2-O 3.45Å; K382-G384 VanDerWaalsContact C-N 3.28Å; K382-G384 PolarHBondContact O-N 3.28Å
385	K	95.8	Very high	96	Very high	119 Å²	119	33.2 Å²	33.2	52%	0.517	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.8	-178.6	-66.8	-175.3	179.8	-173.4	0	111.5	W381 K382 K383 Y387	W381-K385 VanDerWaalsContact CE3-O 3.26Å; K382-K385 PolarHBondContact N-O 3.3Å; K382-K385 PolarHBondContact O-N 2.59Å; K383-K385 VanDerWaalsContact C-N 3.31Å; K383-K385 PolarHBondContact O-N 2.94Å; K385-Y387 HydrophobicContact CB-CD2 4.41Å; K385-Y387 HydrophobicContact CB-CE2 3.61Å
386	M	96.8	Very high	96.1	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.044	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.8	-175.6	-159.6	157.3	57.6	0	0	110.9	A351 W360 F365 C368 L374 Y379 W381	A351-M386 HydrophobicContact CB-SD 4.41Å; W360-M386 HydrophobicContact CD2-CE 4.37Å; W360-M386 HydrophobicContact CZ2-CE 4.13Å; F365-M386 HydrophobicContact CD2-CE 3.52Å; F365-M386 HydrophobicContact CD2-SD 4.32Å; F365-M386 HydrophobicContact CE1-SD 4.48Å; F365-M386 HydrophobicContact CE2-CE 3.39Å; F365-M386 HydrophobicContact CE2-SD 3.57Å; F365-M386 VanDerWaalsContact CE2-SD 3.57Å; F365-M386 HydrophobicContact CG-CE 4.19Å; F365-M386 HydrophobicContact CZ-CE 3.93Å; F365-M386 HydrophobicContact CZ-SD 3.66Å; C368-M386 PolarHBondContact N-O 2.98Å; C368-M386 PolarHBondContact SG-O 2.95Å; C368-M386 VanDerWaalsContact SG-O 3.35Å; L374-M386 HydrophobicContact CD1-CE 3.63Å; L374-M386 HydrophobicContact CD1-CG 3.67Å; L374-M386 HydrophobicContact CD1-SD 3.89Å; Y379-M386 HydrophobicContact CD2-CG 4.06Å; Y379-M386 HydrophobicContact CD2-SD 4.05Å; Y379-M386 HydrophobicContact CG-CG 4.17Å; Y379-M386 HydrophobicContact CG-SD 3.99Å; W381-M386 HydrophobicContact CE3-CB 3.93Å; W381-M386 HydrophobicContact CE3-CG 4.3Å; W381-M386 HydrophobicContact CZ3-CB 4.03Å
387	Y	98.4	Very high	96.2	Very high	31 Å²	31	37.7 Å²	37.7	12%	0.122	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.6	-173.2	-63.9	-93	0	0	0	110.8	C368 L374 F380 K382 K385 H391	C368-Y387 VanDerWaalsContact SG-CE1 3.53Å; L374-Y387 WeakPolarHBondContact CD2-O 3.42Å; F380-Y387 PolarHBondContact N-O 3.44Å; F380-Y387 PolarHBondContact O-N 2.91Å; K382-Y387 HydrophobicContact CB-CD2 4.12Å; K382-Y387 HydrophobicContact CB-CE2 3.93Å; K385-Y387 HydrophobicContact CB-CD2 4.41Å; K385-Y387 HydrophobicContact CB-CE2 3.61Å; Y387-H391 HydrophobicContact CD1-CB 4.18Å
388	C	97.8	Very high	96.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	20%	0.197	C	C	.	.			trans	-79.1	164.7	158	66.8	0	0	0	0	109.8	Q229 C367 L374 R390 H391 Y392	Q229-C388 HydrophobicContact CB-CB 3.86Å; Q229-C388 HydrophobicContact CG-CB 3.78Å; Q229-C388 VanDerWaalsContact OE1-CB 3.25Å; C367-C388 HydrophobicContact CB-CB 4.11Å; C367-C388 PolarHBondContact SG-N 2.98Å; C367-C388 VanDerWaalsContact SG-N 3.41Å; L374-C388 HydrophobicContact CD2-CB 3.94Å; C388-R390 PolarHBondContact O-N 3.35Å; C388-H391 PolarHBondContact O-N 3.39Å; C388-H391 PolarHBondContact SG-ND1 3.34Å; C388-Y392 WeakPolarHBondContact O-CB 3.48Å; C388-Y392 PolarHBondContact O-N 3.34Å
389	G	95.1	Very high	96.4	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	20%	0.201	C	C	.	.	H	α-helix	trans	-55	-49.2	-175.4	0	0	0	0	0	113.4	Q229 F380 H391 Y392 G393	Q229-G389 CarbonylContact O-C 3.58Å; Q229-G389 WeakPolarHBondContact O-CA 3.38Å; Q229-G389 PolarHBondContact O-N 2.97Å; Q229-G389 VanDerWaalsContact O-N 3.12Å; F380-G389 VanDerWaalsContact CD2-CA 3.49Å; G389-H391 PolarHBondContact O-N 3.46Å; G389-Y392 WeakPolarHBondContact O-CB 3.41Å; G389-Y392 PolarHBondContact O-N 2.86Å; G389-G393 PolarHBondContact O-N 3.03Å
390	R	95.3	Very high	96.2	Very high	46 Å²	46	40.4 Å²	40.4	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-55.9	-52.1	179	-162.9	-176	176.4	-80.9	13.5	112.2	R228 Q229 P231 C388 Y392 G393 D394 R399 D404	R228-R390 WeakPolarHBondContact O-CB 3.42Å; R228-R390 WeakPolarHBondContact O-CD 3.47Å; Q229-R390 PolarHBondContact O-N 3.15Å; P231-R390 HydrophobicContact CG-CG 4.5Å; C388-R390 PolarHBondContact O-N 3.35Å; R390-Y392 VanDerWaalsContact C-N 3.33Å; R390-Y392 PolarHBondContact O-N 3.48Å; R390-G393 PolarHBondContact O-N 3.43Å; R390-D394 IonicContact NH1-OD1 3.87Å; R390-D394 IonicContact NH1-OD2 2.68Å; R390-D394 PolarHBondContact NH1-OD2 2.91Å; R390-D394 PolarHBondContact O-N 3.45Å; R390-D394 VanDerWaalsContact O-OD1 3.09Å; R390-R399 VanDerWaalsContact CG-NH2 3.29Å; R390-R399 PolarHBondContact O-NH2 3.46Å; R390-D404 IonicContact CZ-OD1 3.64Å; R390-D404 IonicContact NE-OD1 2.76Å; R390-D404 IonicContact NE-OD2 3.37Å; R390-D404 IonicContact NH2-OD1 3.73Å; R390-D404 PolarHBondContact NH2-OD1 3.12Å
391	H	97.8	Very high	95.7	Very high	32 Å²	32	40.9 Å²	40.9	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-73.5	-20.9	179.7	-66.6	125.1	0	0	0	114.2	T369 C370 Y387 C388 G389 D394 S395	T369-H391 HydrophobicContact CG2-CB 4.43Å; C370-H391 PolarHBondContact SG-CE1 2.88Å; Y387-H391 HydrophobicContact CD1-CB 4.18Å; C388-H391 PolarHBondContact O-N 3.39Å; C388-H391 PolarHBondContact SG-ND1 3.34Å; G389-H391 PolarHBondContact O-N 3.46Å; H391-D394 IonicContact CD2-OD2 4Å; H391-D394 PolarHBondContact CD2-OD2 3.44Å; H391-D394 VanDerWaalsContact CD2-OD2 3.3Å; H391-S395 PolarHBondContact O-N 3.35Å
392	Y	97.8	Very high	95.1	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-48.4	166.1	177.8	-87.3	0	0	0	110	Y254 C258 A262 F380 K382 C388 G389 R390 D394 S395 E396	Y254-Y392 HydrophobicContact CE2-CE1 4.2Å; C258-Y392 VanDerWaalsContact SG-CE1 3.53Å; A262-Y392 HydrophobicContact CB-CD2 4.13Å; A262-Y392 HydrophobicContact CB-CE1 4.31Å; A262-Y392 HydrophobicContact CB-CE2 3.34Å; A262-Y392 VanDerWaalsContact CB-CZ 3.47Å; A262-Y392 WeakPolarHBondContact CB-OH 3.02Å; F380-Y392 HydrophobicContact CB-CD2 3.61Å; F380-Y392 HydrophobicContact CB-CE2 4.44Å; F380-Y392 HydrophobicContact CB-CG 3.67Å; F380-Y392 AromaticContact CD1-CD1 3.81Å; F380-Y392 HydrophobicContact CD1-CD1 3.81Å; F380-Y392 HydrophobicContact CD1-CD2 4.26Å; F380-Y392 HydrophobicContact CD1-CE1 4.37Å; F380-Y392 AromaticContact CD1-CG 3.76Å; F380-Y392 HydrophobicContact CD1-CG 3.76Å; F380-Y392 HydrophobicContact CE1-CD1 4.45Å; F380-Y392 HydrophobicContact CG-CD1 4.47Å; F380-Y392 HydrophobicContact CG-CD2 4.35Å; F380-Y392 AromaticContact CG-CG 3.97Å; F380-Y392 HydrophobicContact CG-CG 3.97Å; K382-Y392 HydrophobicContact CB-CD2 4.22Å; K382-Y392 HydrophobicContact CB-CE2 4Å; K382-Y392 HydrophobicContact CD-CD2 4.06Å; K382-Y392 HydrophobicContact CD-CE2 3.75Å; K382-Y392 HydrophobicContact CG-CE2 4.41Å; C388-Y392 WeakPolarHBondContact O-CB 3.48Å; C388-Y392 PolarHBondContact O-N 3.34Å; G389-Y392 WeakPolarHBondContact O-CB 3.41Å; G389-Y392 PolarHBondContact O-N 2.86Å; R390-Y392 VanDerWaalsContact C-N 3.33Å; R390-Y392 PolarHBondContact O-N 3.48Å; Y392-D394 PolarHBondContact O-N 3.05Å; Y392-S395 WeakPolarHBondContact O-CA 3.14Å; Y392-S395 WeakPolarHBondContact O-CB 3.5Å; Y392-S395 PolarHBondContact O-N 2.9Å; Y392-S395 PolarHBondContact O-OG 3.12Å; Y392-E396 HydrophobicContact CD1-CG 4.28Å; Y392-E396 HydrophobicContact CE1-CG 3.68Å; Y392-E396 PolarHBondContact O-N 2.86Å
393	G	96.3	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.7	-47.6	175.1	0	0	0	0	0	112.6	Y254 G389 R390 S395 E396 K397	Y254-G393 WeakPolarHBondContact OH-CA 3.5Å; G389-G393 PolarHBondContact O-N 3.03Å; R390-G393 PolarHBondContact O-N 3.43Å; G393-S395 PolarHBondContact O-N 2.81Å; G393-E396 PolarHBondContact O-N 3.44Å; G393-K397 PolarHBondContact O-N 2.98Å; G393-K397 VanDerWaalsContact O-O 3.06Å
394	D	95.9	Very high	94.2	Very high	55 Å²	55	29.8 Å²	29.8	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19	174.8	-59	-17.8	0	0	0	113.1	R390 H391 Y392 R399	R390-D394 IonicContact NH1-OD1 3.87Å; R390-D394 IonicContact NH1-OD2 2.68Å; R390-D394 PolarHBondContact NH1-OD2 2.91Å; R390-D394 PolarHBondContact O-N 3.45Å; R390-D394 VanDerWaalsContact O-OD1 3.09Å; H391-D394 IonicContact CD2-OD2 4Å; H391-D394 PolarHBondContact CD2-OD2 3.44Å; H391-D394 VanDerWaalsContact CD2-OD2 3.3Å; Y392-D394 PolarHBondContact O-N 3.05Å; D394-R399 IonicContact OD1-CZ 2.96Å; D394-R399 IonicContact OD1-NE 2.63Å; D394-R399 PolarHBondContact OD1-NE 3.44Å; D394-R399 IonicContact OD1-NH2 2.63Å; D394-R399 PolarHBondContact OD1-NH2 3.11Å
395	S	95.8	Very high	94.1	Very high	48 Å²	48	27.5 Å²	27.5	34%	0.336	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-4.2	178.8	80.8	0	0	0	0	114.5	K382 H391 Y392 G393	K382-S395 VanDerWaalsContact NZ-C 3.3Å; K382-S395 PolarHBondContact NZ-O 3.37Å; K382-S395 PolarHBondContact NZ-OG 3.12Å; H391-S395 PolarHBondContact O-N 3.35Å; Y392-S395 WeakPolarHBondContact O-CA 3.14Å; Y392-S395 WeakPolarHBondContact O-CB 3.5Å; Y392-S395 PolarHBondContact O-N 2.9Å; Y392-S395 PolarHBondContact O-OG 3.12Å; G393-S395 PolarHBondContact O-N 2.81Å
396	E	95.5	Very high	94	Very high	65 Å²	65	22 Å²	22	30%	0.304	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-31.9	176.9	-70.7	-75.9	115.6	0	0	112.5	Y254 K257 K382 Y392 G393	Y254-E396 HydrophobicContact CD2-CB 4.29Å; Y254-E396 HydrophobicContact CE2-CB 3.83Å; Y254-E396 HydrophobicContact CE2-CG 4.21Å; K257-E396 IonicContact NZ-OE1 3.85Å; K257-E396 IonicContact NZ-OE2 3.64Å; K257-E396 PolarHBondContact NZ-OE2 3.41Å; K382-E396 WeakPolarHBondContact CE-OE1 3.35Å; K382-E396 IonicContact NZ-OE1 3.74Å; K382-E396 PolarHBondContact NZ-OE1 3.05Å; Y392-E396 HydrophobicContact CD1-CG 4.28Å; Y392-E396 HydrophobicContact CE1-CG 3.68Å; Y392-E396 PolarHBondContact O-N 2.86Å; G393-E396 PolarHBondContact O-N 3.44Å
397	K	96.1	Very high	94	Very high	46 Å²	46	21.5 Å²	21.5	20%	0.2	11%	0.113	C	C	.	.	S	Bend	trans	-140	144.9	178	-75.3	-64.9	-160.2	161.1	0	110.4	G393 L406 F408	G393-K397 PolarHBondContact O-N 2.98Å; G393-K397 VanDerWaalsContact O-O 3.06Å; K397-L406 HydrophobicContact CB-CB 4.17Å; K397-L406 HydrophobicContact CB-CD2 4.2Å; K397-F408 HydrophobicContact CD-CD1 4.39Å; K397-F408 HydrophobicContact CD-CE1 4.44Å; K397-F408 HydrophobicContact CG-CD1 4.42Å; K397-F408 HydrophobicContact CG-CE1 4.02Å; K397-F408 HydrophobicContact CG-CZ 4.41Å; K397-F408 PolarHBondContact NZ-O 2.76Å
398	P	96.4	Very high	93.8	Very high	34 Å²	34	20.1 Å²	20.1	22%	0.221	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-69.2	139	174.3	25.7	-27	0	0	0	110.2	I407 Y412 N419	P398-I407 HydrophobicContact CB-CD1 4.41Å; P398-I407 HydrophobicContact CG-CB 4.23Å; P398-I407 HydrophobicContact CG-CD1 4.47Å; P398-I407 VanDerWaalsContact O-CB 3.32Å; P398-I407 WeakPolarHBondContact O-CB 3.26Å; P398-I407 WeakPolarHBondContact O-CG1 3.3Å; P398-I407 PolarHBondContact O-N 2.98Å; P398-Y412 HydrophobicContact CB-CE2 4.44Å; P398-Y412 HydrophobicContact CG-CD1 4.49Å; P398-Y412 HydrophobicContact CG-CE1 4.08Å; P398-Y412 HydrophobicContact CG-CE2 4.31Å; P398-N419 HydrophobicContact CB-CB 3.94Å
399	R	94.9	Very high	93.6	Very high	23 Å²	23	21.7 Å²	21.7	9%	0.087	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-95.6	141.7	176.4	-168	178.7	-61.7	-84.2	-8	111.5	D234 R390 D394 D404 E405 L406	D234-R399 IonicContact OD1-CZ 3.24Å; D234-R399 IonicContact OD1-NH1 3.2Å; D234-R399 PolarHBondContact OD1-NH1 3.35Å; D234-R399 IonicContact OD1-NH2 3.3Å; D234-R399 IonicContact OD2-CZ 3.66Å; D234-R399 IonicContact OD2-NH1 2.67Å; D234-R399 PolarHBondContact OD2-NH1 3.41Å; D234-R399 IonicContact OD2-NH2 2.76Å; D234-R399 PolarHBondContact OD2-NH2 3.42Å; R390-R399 VanDerWaalsContact CG-NH2 3.29Å; R390-R399 PolarHBondContact O-NH2 3.46Å; D394-R399 IonicContact OD1-CZ 2.96Å; D394-R399 IonicContact OD1-NE 2.63Å; D394-R399 PolarHBondContact OD1-NE 3.44Å; D394-R399 IonicContact OD1-NH2 2.63Å; D394-R399 PolarHBondContact OD1-NH2 3.11Å; R399-D404 VanDerWaalsContact CD-O 3.29Å; R399-D404 WeakPolarHBondContact CD-O 3.22Å; R399-D404 VanDerWaalsContact CD-OD1 3.28Å; R399-D404 WeakPolarHBondContact CD-OD1 3.49Å; R399-D404 WeakPolarHBondContact CG-O 3.43Å; R399-D404 PolarHBondContact NH1-O 3.23Å; R399-E405 WeakPolarHBondContact CA-O 3.49Å; R399-E405 WeakPolarHBondContact CG-O 3.33Å; R399-L406 HydrophobicContact CB-CD2 4.29Å
400	C	92.8	Very high	93.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-79.2	119.8	177.1	178	0	0	0	0	112.1	G402 C403 D404 E405 I407 N419	C400-G402 PolarHBondContact O-N 3.16Å; C400-G402 VanDerWaalsContact O-N 3.12Å; C400-G402 PolarHBondContact SG-N 2.83Å; C400-G402 VanDerWaalsContact SG-N 3.41Å; C400-C403 PolarHBondContact O-N 3.03Å; C400-C403 VanDerWaalsContact SG-SG 3.67Å; C400-D404 WeakPolarHBondContact O-CA 3.16Å; C400-D404 PolarHBondContact O-N 3.23Å; C400-E405 PolarHBondContact N-O 3.07Å; C400-I407 HydrophobicContact CB-CD1 4.08Å; C400-I407 HydrophobicContact CB-CG1 3.95Å; C400-N419 CarbonylContact C-O 3.59Å; C400-N419 VanDerWaalsContact CA-O 3.27Å; C400-N419 WeakPolarHBondContact CA-O 3.23Å
401	G	87.4	Confident	93.2	Very high	16 Å²	16	32.8 Å²	32.8	17%	0.165	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16	176.1	0	0	0	0	0	115.1	N419 W420	G401-N419 PolarHBondContact N-O 3.37Å; G401-W420 VanDerWaalsContact C-CZ3 3.42Å
402	G	83.9	Confident	93.1	Very high	1 Å²	1	36 Å²	36	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-40.4	178.6	0	0	0	0	0	114.7	R38 K39 C400 W420	R38-G402 CarbonylContact C-O 3.55Å; R38-G402 WeakPolarHBondContact CA-O 3.44Å; R38-G402 WeakPolarHBondContact CB-O 3.42Å; K39-G402 PolarHBondContact N-O 3.35Å; K39-G402 VanDerWaalsContact N-O 3.12Å; C400-G402 PolarHBondContact O-N 3.16Å; C400-G402 VanDerWaalsContact O-N 3.12Å; C400-G402 PolarHBondContact SG-N 2.83Å; C400-G402 VanDerWaalsContact SG-N 3.41Å; G402-W420 VanDerWaalsContact N-CZ3 3.28Å
403	C	85.9	Confident	93	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	2.9	-176.1	68.5	0	0	0	0	114.9	K39 C400 E405 H421 H424	K39-C403 WeakPolarHBondContact CB-O 3.18Å; K39-C403 WeakPolarHBondContact CD-O 3.44Å; K39-C403 VanDerWaalsContact CG-O 3.28Å; K39-C403 WeakPolarHBondContact CG-O 3.47Å; C400-C403 PolarHBondContact O-N 3.03Å; C400-C403 VanDerWaalsContact SG-SG 3.67Å; C403-E405 PolarHBondContact O-N 2.94Å; C403-H421 PolarHBondContact SG-ND1 3.25Å; C403-H421 VanDerWaalsContact SG-ND1 3.42Å; C403-H424 PolarHBondContact SG-CE1 2.76Å; C403-H424 PolarHBondContact SG-ND1 3.04Å
404	D	88.6	Confident	93	Very high	37 Å²	37	43.8 Å²	43.8	20%	0.198	23%	0.226	C	C	.	.			trans	55.7	12.7	-176.9	-160.8	63.2	0	0	0	115	K39 H233 R390 R399 C400	K39-D404 HydrophobicContact CB-CB 4.37Å; H233-D404 IonicContact CE1-OD2 2.73Å; H233-D404 PolarHBondContact NE2-O 3.31Å; H233-D404 IonicContact NE2-OD2 3.81Å; R390-D404 IonicContact CZ-OD1 3.64Å; R390-D404 IonicContact NE-OD1 2.76Å; R390-D404 IonicContact NE-OD2 3.37Å; R390-D404 IonicContact NH2-OD1 3.73Å; R390-D404 PolarHBondContact NH2-OD1 3.12Å; R399-D404 VanDerWaalsContact CD-O 3.29Å; R399-D404 WeakPolarHBondContact CD-O 3.22Å; R399-D404 VanDerWaalsContact CD-OD1 3.28Å; R399-D404 WeakPolarHBondContact CD-OD1 3.49Å; R399-D404 WeakPolarHBondContact CG-O 3.43Å; R399-D404 PolarHBondContact NH1-O 3.23Å; C400-D404 WeakPolarHBondContact O-CA 3.16Å; C400-D404 PolarHBondContact O-N 3.23Å
405	E	91.6	Very high	92.8	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.215	C	C	.	.			trans	-93.4	150.5	179.4	-70.2	163.1	-179.2	0	0	112	K39 H233 C240 H241 R399 C400 C403	K39-E405 WeakPolarHBondContact CE-OE1 3.24Å; K39-E405 IonicContact NZ-OE1 2.85Å; K39-E405 PolarHBondContact NZ-OE1 3.26Å; H233-E405 HydrophobicContact CB-CG 4.08Å; C240-E405 WeakPolarHBondContact CA-OE1 3.14Å; H241-E405 IonicContact CE1-OE1 3.84Å; H241-E405 IonicContact CG-OE1 3.94Å; H241-E405 PolarHBondContact N-OE1 3.21Å; H241-E405 PolarHBondContact N-OE2 2.85Å; H241-E405 IonicContact ND1-OE1 2.67Å; H241-E405 PolarHBondContact ND1-OE1 3.28Å; H241-E405 IonicContact ND1-OE2 2.59Å; R399-E405 WeakPolarHBondContact CA-O 3.49Å; R399-E405 WeakPolarHBondContact CG-O 3.33Å; C400-E405 PolarHBondContact N-O 3.07Å; C403-E405 PolarHBondContact O-N 2.94Å
406	L	94.6	Very high	92.6	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-68.7	128.4	171.1	-64.6	177.2	0	0	0	110.2	D234 Y254 K397 R399 F408	D234-L406 HydrophobicContact CB-CD1 4.3Å; Y254-L406 HydrophobicContact CE1-CD1 3.79Å; K397-L406 HydrophobicContact CB-CB 4.17Å; K397-L406 HydrophobicContact CB-CD2 4.2Å; R399-L406 HydrophobicContact CB-CD2 4.29Å; L406-F408 HydrophobicContact CB-CE2 3.82Å; L406-F408 HydrophobicContact CB-CZ 4.24Å; L406-F408 VanDerWaalsContact O-CD2 3.26Å; L406-F408 WeakPolarHBondContact O-CD2 3.45Å; L406-F408 PolarHBondContact O-N 2.86Å
407	I	95.7	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.			trans	-81.7	114.7	-178.1	-56.7	167.8	0	0	0	108.9	P398 C400 Y412 N419	P398-I407 HydrophobicContact CB-CD1 4.41Å; P398-I407 HydrophobicContact CG-CB 4.23Å; P398-I407 HydrophobicContact CG-CD1 4.47Å; P398-I407 VanDerWaalsContact O-CB 3.32Å; P398-I407 WeakPolarHBondContact O-CB 3.26Å; P398-I407 WeakPolarHBondContact O-CG1 3.3Å; P398-I407 PolarHBondContact O-N 2.98Å; C400-I407 HydrophobicContact CB-CD1 4.08Å; C400-I407 HydrophobicContact CB-CG1 3.95Å; I407-Y412 HydrophobicContact CD1-CD2 4.48Å; I407-Y412 HydrophobicContact CD1-CG 4.41Å; I407-Y412 HydrophobicContact CG2-CD1 4.5Å; I407-Y412 HydrophobicContact CG2-CG 4.45Å; I407-N419 HydrophobicContact CD1-CB 3.98Å
408	F	95.6	Very high	92.2	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.257	C	S	.	.			trans	-94.3	-24	176.3	-73.5	-81.4	0	0	0	113.4	E247 Q250 M251 Y254 K397 L406	E247-F408 HydrophobicContact CB-CB 3.79Å; E247-F408 HydrophobicContact CG-CB 3.83Å; Q250-F408 HydrophobicContact CB-CB 4.46Å; Q250-F408 HydrophobicContact CB-CD1 3.75Å; Q250-F408 HydrophobicContact CB-CG 4.46Å; Q250-F408 PolarHBondContact NE2-O 2.99Å; Q250-F408 PolarHBondContact OE1-O 2.89Å; M251-F408 HydrophobicContact CB-CD1 4.23Å; M251-F408 HydrophobicContact CB-CD2 4.1Å; M251-F408 HydrophobicContact CB-CE1 3.97Å; M251-F408 HydrophobicContact CB-CE2 3.81Å; M251-F408 HydrophobicContact CB-CG 4.31Å; M251-F408 HydrophobicContact CB-CZ 3.75Å; M251-F408 HydrophobicContact CG-CD2 4.37Å; M251-F408 HydrophobicContact CG-CE1 4.36Å; M251-F408 HydrophobicContact CG-CE2 3.66Å; M251-F408 HydrophobicContact CG-CZ 3.67Å; M251-F408 HydrophobicContact SD-CE2 3.99Å; Y254-F408 HydrophobicContact CD1-CE1 4.17Å; Y254-F408 AromaticContact CD1-CZ 3.75Å; Y254-F408 HydrophobicContact CD1-CZ 3.75Å; Y254-F408 HydrophobicContact CE1-CZ 4.37Å; Y254-F408 HydrophobicContact CG-CE1 4.1Å; Y254-F408 HydrophobicContact CG-CZ 4.14Å; K397-F408 HydrophobicContact CD-CD1 4.39Å; K397-F408 HydrophobicContact CD-CE1 4.44Å; K397-F408 HydrophobicContact CG-CD1 4.42Å; K397-F408 HydrophobicContact CG-CE1 4.02Å; K397-F408 HydrophobicContact CG-CZ 4.41Å; K397-F408 PolarHBondContact NZ-O 2.76Å; L406-F408 HydrophobicContact CB-CE2 3.82Å; L406-F408 HydrophobicContact CB-CZ 4.24Å; L406-F408 VanDerWaalsContact O-CD2 3.26Å; L406-F408 WeakPolarHBondContact O-CD2 3.45Å; L406-F408 PolarHBondContact O-N 2.86Å
409	S	92.9	Very high	92.1	Very high	36 Å²	36	46.8 Å²	46.8	25%	0.252	26%	0.255	S	S	.	.	S	Bend	trans	-50.7	145.5	167.4	-178.8	0	0	0	0	112.6	E247 E411	E247-S409 WeakPolarHBondContact OE1-CA 3.39Å; E247-S409 WeakPolarHBondContact OE1-CB 3.39Å; E247-S409 PolarHBondContact OE1-N 3.16Å; S409-E411 VanDerWaalsContact C-N 3.3Å; S409-E411 WeakPolarHBondContact CB-O 3.48Å; S409-E411 PolarHBondContact OG-N 3.03Å; S409-E411 PolarHBondContact OG-O 2.84Å
410	N	90.3	Very high	92	Very high	143 Å²	143	47.1 Å²	47.1	77%	0.765	26%	0.257	S	S	*	.	S	Bend	trans	-76.7	-22.6	167.7	-66.2	-21.3	0	0	0	111.8
411	E	92.6	Very high	92	Very high	140 Å²	140	48.1 Å²	48.1	65%	0.654	26%	0.261	S	S	*	.			trans	-104.9	119.5	-179.4	-64.1	178.8	-174.7	0	0	110.2	S409 L422	S409-E411 VanDerWaalsContact C-N 3.3Å; S409-E411 WeakPolarHBondContact CB-O 3.48Å; S409-E411 PolarHBondContact OG-N 3.03Å; S409-E411 PolarHBondContact OG-O 2.84Å; E411-L422 HydrophobicContact CB-CD1 4.15Å
412	Y	94.9	Very high	92.2	Very high	101 Å²	101	50.4 Å²	50.4	40%	0.396	27%	0.27	S	S	.	.			trans	-153.5	164.3	177.6	67.1	-87.6	0	0	0	108.9	P398 I407 N419 W420	P398-Y412 HydrophobicContact CB-CE2 4.44Å; P398-Y412 HydrophobicContact CG-CD1 4.49Å; P398-Y412 HydrophobicContact CG-CE1 4.08Å; P398-Y412 HydrophobicContact CG-CE2 4.31Å; I407-Y412 HydrophobicContact CD1-CD2 4.48Å; I407-Y412 HydrophobicContact CD1-CG 4.41Å; I407-Y412 HydrophobicContact CG2-CD1 4.5Å; I407-Y412 HydrophobicContact CG2-CG 4.45Å; Y412-N419 HydrophobicContact CD2-CB 4.03Å; Y412-N419 HydrophobicContact CE2-CB 4.11Å; Y412-W420 WeakPolarHBondContact CB-O 3.34Å
413	T	95.2	Very high	92.4	Very high	26 Å²	26	56.3 Å²	56.3	16%	0.16	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.4	176.5	-168.6	0	0	0	0	111.2	N419 W420 F425 A435	T413-N419 CarbonylContact O-C 3.46Å; T413-N419 WeakPolarHBondContact O-CA 3.44Å; T413-W420 HydrophobicContact CG2-CB 3.87Å; T413-W420 HydrophobicContact CG2-CG 4.43Å; T413-W420 PolarHBondContact N-O 2.73Å; T413-W420 PolarHBondContact O-N 3.25Å; T413-F425 HydrophobicContact CG2-CB 3.56Å; T413-F425 HydrophobicContact CG2-CD1 4.02Å; T413-F425 HydrophobicContact CG2-CG 3.95Å; T413-A435 HydrophobicContact CG2-CB 3.81Å
414	Q	95.8	Very high	92.5	Very high	141 Å²	141	57.2 Å²	57.2	66%	0.659	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	119.2	176.4	-175.8	170.9	98.8	0	0	108.6	Q418 N419	Q414-Q418 WeakPolarHBondContact CA-O 3.3Å; Q414-N419 PolarHBondContact NE2-OD1 3.09Å
415	A	92.8	Very high	92.7	Very high	9 Å²	9	55.6 Å²	55.6	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.8	-173.7	0	0	0	0	0	109.2	G417 Q418 W420 F425	A415-G417 VanDerWaalsContact C-N 3.27Å; A415-G417 PolarHBondContact O-N 3.48Å; A415-Q418 PolarHBondContact N-O 3.44Å; A415-Q418 PolarHBondContact O-N 2.89Å; A415-W420 PolarHBondContact O-NE1 3.33Å; A415-F425 HydrophobicContact CB-CD1 4.4Å; A415-F425 HydrophobicContact CB-CD2 4.09Å; A415-F425 HydrophobicContact CB-CE1 3.93Å; A415-F425 HydrophobicContact CB-CE2 3.58Å; A415-F425 HydrophobicContact CB-CG 4.5Å; A415-F425 HydrophobicContact CB-CZ 3.51Å
416	E	91.3	Very high	92.7	Very high	97 Å²	97	55.9 Å²	55.9	45%	0.453	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	44.3	177.9	-53	-48.4	93.6	0	0	114.1	Q418 Y439 M441	E416-Q418 PolarHBondContact O-N 3.41Å; E416-Q418 VanDerWaalsContact O-N 3.14Å; E416-Q418 PolarHBondContact O-NE2 2.87Å; E416-Y439 PolarHBondContact OE1-OH 3.03Å; E416-M441 HydrophobicContact CG-CE 3.78Å; E416-M441 HydrophobicContact CG-CG 4.41Å; E416-M441 HydrophobicContact CG-SD 3.84Å
417	G	90.3	Very high	92.7	Very high	84 Å²	84	55.7 Å²	55.7	87%	0.866	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	7.6	-179.5	0	0	0	0	0	115.2	A415	A415-G417 VanDerWaalsContact C-N 3.27Å; A415-G417 PolarHBondContact O-N 3.48Å
418	Q	92.4	Very high	92.3	Very high	87 Å²	87	59 Å²	59	41%	0.407	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	158.5	-172.7	-70.3	171.2	91.5	0	0	111.6	Q414 A415 E416 W420	Q414-Q418 WeakPolarHBondContact CA-O 3.3Å; A415-Q418 PolarHBondContact N-O 3.44Å; A415-Q418 PolarHBondContact O-N 2.89Å; E416-Q418 PolarHBondContact O-N 3.41Å; E416-Q418 VanDerWaalsContact O-N 3.14Å; E416-Q418 PolarHBondContact O-NE2 2.87Å; Q418-W420 HydrophobicContact CB-CZ2 3.89Å; Q418-W420 PolarHBondContact O-NE1 2.89Å
419	N	95.2	Very high	92	Very high	34 Å²	34	61.4 Å²	61.4	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	151.9	172.3	-49.9	-69.1	0	0	0	109.4	P398 C400 G401 I407 Y412 T413 Q414	P398-N419 HydrophobicContact CB-CB 3.94Å; C400-N419 CarbonylContact C-O 3.59Å; C400-N419 VanDerWaalsContact CA-O 3.27Å; C400-N419 WeakPolarHBondContact CA-O 3.23Å; G401-N419 PolarHBondContact N-O 3.37Å; I407-N419 HydrophobicContact CD1-CB 3.98Å; Y412-N419 HydrophobicContact CD2-CB 4.03Å; Y412-N419 HydrophobicContact CE2-CB 4.11Å; T413-N419 CarbonylContact O-C 3.46Å; T413-N419 WeakPolarHBondContact O-CA 3.44Å; Q414-N419 PolarHBondContact NE2-OD1 3.09Å
420	W	93.3	Very high	91.9	Very high	30 Å²	30	62.8 Å²	62.8	11%	0.114	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136	-175.6	-48.3	80.8	0	0	0	111.2	G401 G402 Y412 T413 A415 Q418 F425	G401-W420 VanDerWaalsContact C-CZ3 3.42Å; G402-W420 VanDerWaalsContact N-CZ3 3.28Å; Y412-W420 WeakPolarHBondContact CB-O 3.34Å; T413-W420 HydrophobicContact CG2-CB 3.87Å; T413-W420 HydrophobicContact CG2-CG 4.43Å; T413-W420 PolarHBondContact N-O 2.73Å; T413-W420 PolarHBondContact O-N 3.25Å; A415-W420 PolarHBondContact O-NE1 3.33Å; Q418-W420 HydrophobicContact CB-CZ2 3.89Å; Q418-W420 PolarHBondContact O-NE1 2.89Å; W420-F425 HydrophobicContact CB-CB 3.78Å; W420-F425 HydrophobicContact CD2-CB 4.31Å; W420-F425 AromaticContact CD2-CD2 3.87Å; W420-F425 HydrophobicContact CD2-CD2 3.87Å; W420-F425 AromaticContact CE2-CD2 3.9Å; W420-F425 HydrophobicContact CE3-CD2 4.36Å; W420-F425 HydrophobicContact CG-CB 3.92Å; W420-F425 HydrophobicContact CG-CD2 4.02Å; W420-F425 HydrophobicContact CG-CG 4.29Å; W420-F425 HydrophobicContact CZ2-CD2 4.47Å; W420-F425 AromaticContact NE1-CD2 3.98Å
421	H	91.4	Very high	91.8	Very high	23 Å²	23	58.8 Å²	58.8	11%	0.106	31%	0.306	C	S	.	.			trans	-53.7	142.6	158.5	-66.2	121.3	0	0	0	108.9	C403 K423 H424 F425	C403-H421 PolarHBondContact SG-ND1 3.25Å; C403-H421 VanDerWaalsContact SG-ND1 3.42Å; H421-K423 VanDerWaalsContact C-N 3.28Å; H421-K423 PolarHBondContact O-N 2.94Å; H421-H424 HydrophobicContact CB-CB 4.07Å; H421-H424 AromaticContact ND1-CE1 3.86Å; H421-H424 AromaticContact ND1-ND1 3.5Å; H421-H424 WeakPolarHBondContact O-CA 3.19Å; H421-H424 WeakPolarHBondContact O-CB 3.34Å; H421-H424 PolarHBondContact O-N 2.68Å; H421-F425 PolarHBondContact O-N 3.45Å
422	L	91.7	Very high	91.9	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.335	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-56.2	-42.7	-175.7	-57	178.4	0	0	0	112.1	E411 H424 I433 A435	E411-L422 HydrophobicContact CB-CD1 4.15Å; L422-H424 PolarHBondContact O-N 2.82Å; L422-H424 VanDerWaalsContact O-N 3.16Å; L422-I433 WeakPolarHBondContact O-CG2 3.38Å; L422-A435 HydrophobicContact CB-CB 4.3Å; L422-A435 HydrophobicContact CD2-CB 3.73Å
423	K	89.3	Confident	91.8	Very high	124 Å²	124	54 Å²	54	54%	0.539	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-63.7	-12.6	174.2	-63.1	-170.4	-175.6	-175.3	0	114.9	E242 H421 C426	E242-K423 IonicContact OE2-NZ 2.71Å; E242-K423 PolarHBondContact OE2-NZ 3.47Å; H421-K423 VanDerWaalsContact C-N 3.28Å; H421-K423 PolarHBondContact O-N 2.94Å; K423-C426 PolarHBondContact O-SG 3.24Å
424	H	88.1	Confident	91.8	Very high	19 Å²	19	53 Å²	53	9%	0.088	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-109.3	-13.3	-170.2	-68.2	179.4	0	0	0	114.2	W37 C403 H421 L422	W37-H424 HydrophobicContact CE3-CB 4.2Å; W37-H424 AromaticContact CE3-CD2 3.24Å; W37-H424 AromaticContact CE3-CG 3.66Å; W37-H424 AromaticContact CE3-NE2 3.67Å; W37-H424 HydrophobicContact CH2-CB 4.25Å; W37-H424 WeakPolarHBondContact CH2-O 3.47Å; W37-H424 HydrophobicContact CZ3-CB 3.51Å; W37-H424 AromaticContact CZ3-CD2 3.42Å; W37-H424 VanDerWaalsContact CZ3-CD2 3.42Å; W37-H424 WeakPolarHBondContact CZ3-CD2 3.43Å; W37-H424 AromaticContact CZ3-CG 3.5Å; C403-H424 PolarHBondContact SG-CE1 2.76Å; C403-H424 PolarHBondContact SG-ND1 3.04Å; H421-H424 HydrophobicContact CB-CB 4.07Å; H421-H424 AromaticContact ND1-CE1 3.86Å; H421-H424 AromaticContact ND1-ND1 3.5Å; H421-H424 WeakPolarHBondContact O-CA 3.19Å; H421-H424 WeakPolarHBondContact O-CB 3.34Å; H421-H424 PolarHBondContact O-N 2.68Å; L422-H424 PolarHBondContact O-N 2.82Å; L422-H424 VanDerWaalsContact O-N 3.16Å
425	F	92.8	Very high	91.7	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	27%	0.268	C	S	.	.	S	Bend	trans	-94.1	92.4	167.6	-170.4	-113.1	0	0	0	109	T413 A415 W420 H421 L434 Y439 P446	T413-F425 HydrophobicContact CG2-CB 3.56Å; T413-F425 HydrophobicContact CG2-CD1 4.02Å; T413-F425 HydrophobicContact CG2-CG 3.95Å; A415-F425 HydrophobicContact CB-CD1 4.4Å; A415-F425 HydrophobicContact CB-CD2 4.09Å; A415-F425 HydrophobicContact CB-CE1 3.93Å; A415-F425 HydrophobicContact CB-CE2 3.58Å; A415-F425 HydrophobicContact CB-CG 4.5Å; A415-F425 HydrophobicContact CB-CZ 3.51Å; W420-F425 HydrophobicContact CB-CB 3.78Å; W420-F425 HydrophobicContact CD2-CB 4.31Å; W420-F425 AromaticContact CD2-CD2 3.87Å; W420-F425 HydrophobicContact CD2-CD2 3.87Å; W420-F425 AromaticContact CE2-CD2 3.9Å; W420-F425 HydrophobicContact CE3-CD2 4.36Å; W420-F425 HydrophobicContact CG-CB 3.92Å; W420-F425 HydrophobicContact CG-CD2 4.02Å; W420-F425 HydrophobicContact CG-CG 4.29Å; W420-F425 HydrophobicContact CZ2-CD2 4.47Å; W420-F425 AromaticContact NE1-CD2 3.98Å; H421-F425 PolarHBondContact O-N 3.45Å; F425-L434 HydrophobicContact CD1-CB 3.53Å; F425-L434 HydrophobicContact CE1-CB 3.51Å; F425-L434 HydrophobicContact CE1-CD1 4.32Å; F425-L434 HydrophobicContact CG-CB 4.47Å; F425-L434 HydrophobicContact CZ-CB 4.44Å; F425-L434 PolarHBondContact O-N 2.78Å; F425-Y439 AromaticContact CE1-CD1 3.91Å; F425-Y439 HydrophobicContact CE1-CD1 3.91Å; F425-Y439 AromaticContact CE1-CE1 3.65Å; F425-Y439 HydrophobicContact CE1-CE1 3.65Å; F425-Y439 HydrophobicContact CE1-CG 4.49Å; F425-Y439 HydrophobicContact CZ-CD1 4.09Å; F425-Y439 HydrophobicContact CZ-CD2 4.22Å; F425-Y439 AromaticContact CZ-CE1 3.69Å; F425-Y439 HydrophobicContact CZ-CE1 3.69Å; F425-Y439 AromaticContact CZ-CE2 3.82Å; F425-Y439 HydrophobicContact CZ-CE2 3.82Å; F425-Y439 HydrophobicContact CZ-CG 4.35Å; F425-Y439 AromaticContact CZ-CZ 3.54Å; F425-P446 HydrophobicContact CE2-CB 4.18Å; F425-P446 HydrophobicContact CE2-CG 4.12Å; F425-P446 HydrophobicContact CZ-CB 4.11Å
426	C	91.5	Very high	91.5	Very high	7 Å²	7	50.9 Å²	50.9	5%	0.047	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-135.1	154.5	-171	-61.4	0	0	0	0	112.6	K423 F428 D431 C432	K423-C426 PolarHBondContact O-SG 3.24Å; C426-F428 PolarHBondContact O-N 3.46Å; C426-D431 WeakPolarHBondContact CB-O 3.26Å; C426-D431 PolarHBondContact SG-O 3.16Å; C426-C432 CarbonylContact C-O 3.45Å; C426-C432 WeakPolarHBondContact CA-O 3.4Å; C426-C432 VanDerWaalsContact CB-O 3.31Å; C426-C432 WeakPolarHBondContact CB-O 3.35Å
427	C	92.9	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.31	C	S	.	.			trans	-56.9	130.3	175.2	179.3	0	0	0	0	111.6	D429 D431 C432 L434 P446 C448	C427-D429 VanDerWaalsContact C-N 3.26Å; C427-D429 PolarHBondContact O-N 2.83Å; C427-D429 PolarHBondContact SG-N 3.02Å; C427-D431 VanDerWaalsContact O-CA 3.24Å; C427-D431 WeakPolarHBondContact O-CA 3.29Å; C427-D431 PolarHBondContact O-N 3.46Å; C427-C432 PolarHBondContact N-O 2.88Å; C427-L434 HydrophobicContact CB-CD1 4.32Å; C427-L434 HydrophobicContact CB-CD2 4.48Å; C427-L434 HydrophobicContact CB-CG 4.41Å; C427-P446 CarbonylContact C-O 3.19Å; C427-P446 WeakPolarHBondContact CA-O 3.31Å; C427-C448 HydrophobicContact CB-CB 3.98Å; C427-C448 PolarHBondContact SG-N 3.4Å
428	F	88.1	Confident	91.6	Very high	68 Å²	68	52.7 Å²	52.7	30%	0.298	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.8	179.1	-173	-79.7	0	0	0	113.3	K45 C426 K445 P446 I447	K45-F428 VanDerWaalsContact NZ-CE2 3.31Å; C426-F428 PolarHBondContact O-N 3.46Å; F428-K445 HydrophobicContact CB-CB 3.95Å; F428-K445 HydrophobicContact CB-CD 4.49Å; F428-K445 HydrophobicContact CB-CG 4.45Å; F428-K445 HydrophobicContact CD1-CD 3.95Å; F428-K445 HydrophobicContact CD2-CB 4.07Å; F428-K445 HydrophobicContact CD2-CD 3.61Å; F428-K445 HydrophobicContact CD2-CG 3.64Å; F428-K445 HydrophobicContact CE1-CD 4.06Å; F428-K445 HydrophobicContact CE2-CD 3.7Å; F428-K445 HydrophobicContact CE2-CG 4.04Å; F428-K445 HydrophobicContact CG-CB 4.08Å; F428-K445 HydrophobicContact CG-CD 3.76Å; F428-K445 HydrophobicContact CG-CG 4.03Å; F428-K445 HydrophobicContact CZ-CD 3.96Å; F428-P446 PolarHBondContact N-O 2.82Å; F428-I447 HydrophobicContact CB-CD1 3.84Å
429	D	88.9	Confident	91.7	Very high	52 Å²	52	51.7 Å²	51.7	28%	0.278	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-23.7	-173.5	-81.6	21.5	0	0	0	114.8	C427 C451 N455 Y456	C427-D429 VanDerWaalsContact C-N 3.26Å; C427-D429 PolarHBondContact O-N 2.83Å; C427-D429 PolarHBondContact SG-N 3.02Å; D429-C451 HydrophobicContact CB-CB 3.8Å; D429-N455 PolarHBondContact OD2-ND2 2.86Å; D429-Y456 PolarHBondContact OD1-OH 2.81Å; D429-Y456 WeakPolarHBondContact OD2-CE2 3.45Å
430	C	91	Very high	91.6	Very high	66 Å²	66	51.3 Å²	51.3	45%	0.446	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	5	-170.7	65.3	0	0	0	0	114.9	C432 C451	C430-C432 PolarHBondContact O-N 2.89Å; C430-C451 VanDerWaalsContact SG-SG 3.64Å
431	D	89.1	Confident	91.6	Very high	59 Å²	59	53 Å²	53	32%	0.316	30%	0.297	S	S	.	.			trans	52.6	15.8	-179.9	-81.1	-28.1	0	0	0	116	H35 R38 C426 C427	H35-D431 IonicContact CE1-OD2 3.87Å; H35-D431 IonicContact NE2-OD2 2.69Å; R38-D431 IonicContact CZ-OD1 2.72Å; R38-D431 IonicContact NH1-OD1 3.32Å; R38-D431 PolarHBondContact NH1-OD1 3.41Å; R38-D431 IonicContact NH1-OD2 2.94Å; R38-D431 PolarHBondContact NH1-OD2 3.22Å; R38-D431 IonicContact NH2-OD1 2.89Å; R38-D431 PolarHBondContact NH2-OD1 2.79Å; C426-D431 WeakPolarHBondContact CB-O 3.26Å; C426-D431 PolarHBondContact SG-O 3.16Å; C427-D431 VanDerWaalsContact O-CA 3.24Å; C427-D431 WeakPolarHBondContact O-CA 3.29Å; C427-D431 PolarHBondContact O-N 3.46Å
432	C	93.2	Very high	91.5	Very high	53 Å²	53	54.3 Å²	54.3	36%	0.358	30%	0.303	S	S	.	.			trans	-65.6	139.7	171.4	76.5	0	0	0	0	110.9	C426 C427 C430	C426-C432 CarbonylContact C-O 3.45Å; C426-C432 WeakPolarHBondContact CA-O 3.4Å; C426-C432 VanDerWaalsContact CB-O 3.31Å; C426-C432 WeakPolarHBondContact CB-O 3.35Å; C427-C432 PolarHBondContact N-O 2.88Å; C430-C432 PolarHBondContact O-N 2.89Å
433	I	93.4	Very high	91.1	Very high	88 Å²	88	57.1 Å²	57.1	45%	0.451	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-60.7	137.7	178.2	-67.1	172.8	0	0	0	109.9	L422 A435	L422-I433 WeakPolarHBondContact O-CG2 3.38Å; I433-A435 HydrophobicContact CG2-CB 3.85Å
434	L	95.6	Very high	90.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	33%	0.329	C	S	.	.			trans	-112.3	-0.8	178.1	-68.5	177.9	0	0	0	113.1	F425 C427 G436 E437 Y439 P446 C448	F425-L434 HydrophobicContact CD1-CB 3.53Å; F425-L434 HydrophobicContact CE1-CB 3.51Å; F425-L434 HydrophobicContact CE1-CD1 4.32Å; F425-L434 HydrophobicContact CG-CB 4.47Å; F425-L434 HydrophobicContact CZ-CB 4.44Å; F425-L434 PolarHBondContact O-N 2.78Å; C427-L434 HydrophobicContact CB-CD1 4.32Å; C427-L434 HydrophobicContact CB-CD2 4.48Å; C427-L434 HydrophobicContact CB-CG 4.41Å; L434-G436 PolarHBondContact O-N 3.12Å; L434-G436 VanDerWaalsContact O-N 3.07Å; L434-E437 HydrophobicContact CD2-CB 4.49Å; L434-E437 PolarHBondContact O-N 3.5Å; L434-Y439 HydrophobicContact CD1-CG 4.23Å; L434-P446 HydrophobicContact CD1-CB 3.71Å; L434-P446 HydrophobicContact CD1-CG 4.3Å; L434-C448 HydrophobicContact CD2-CB 3.66Å
435	A	93.1	Very high	90.7	Very high	28 Å²	28	60.1 Å²	60.1	23%	0.231	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	107.7	179.9	0	0	0	0	0	110.9	T413 L422 I433	T413-A435 HydrophobicContact CG2-CB 3.81Å; L422-A435 HydrophobicContact CB-CB 4.3Å; L422-A435 HydrophobicContact CD2-CB 3.73Å; I433-A435 HydrophobicContact CG2-CB 3.85Å
436	G	89.3	Confident	90.7	Very high	79 Å²	79	61 Å²	61	81%	0.814	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-6	-174.5	0	0	0	0	0	114.6	L434	L434-G436 PolarHBondContact O-N 3.12Å; L434-G436 VanDerWaalsContact O-N 3.07Å
437	E	91.9	Very high	90.8	Very high	128 Å²	128	60.7 Å²	60.7	60%	0.598	34%	0.342	S	S	*	.	S	Bend	trans	-100.6	165	-178.3	-70.8	-62.8	156.8	0	0	112.7	L434	L434-E437 HydrophobicContact CD2-CB 4.49Å; L434-E437 PolarHBondContact O-N 3.5Å
438	T	92.1	Very high	90.9	Very high	90 Å²	90	61.2 Å²	61.2	55%	0.552	35%	0.345	S	S	*	.			trans	-85.6	136.7	172.4	53	0	0	0	0	111.8
439	Y	94.3	Very high	91.1	Very high	67 Å²	67	60.3 Å²	60.3	26%	0.263	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.5	-178.1	64.6	-85.4	0	0	0	111.2	E416 F425 L434 M441 P446 I447	E416-Y439 PolarHBondContact OE1-OH 3.03Å; F425-Y439 AromaticContact CE1-CD1 3.91Å; F425-Y439 HydrophobicContact CE1-CD1 3.91Å; F425-Y439 AromaticContact CE1-CE1 3.65Å; F425-Y439 HydrophobicContact CE1-CE1 3.65Å; F425-Y439 HydrophobicContact CE1-CG 4.49Å; F425-Y439 HydrophobicContact CZ-CD1 4.09Å; F425-Y439 HydrophobicContact CZ-CD2 4.22Å; F425-Y439 AromaticContact CZ-CE1 3.69Å; F425-Y439 HydrophobicContact CZ-CE1 3.69Å; F425-Y439 AromaticContact CZ-CE2 3.82Å; F425-Y439 HydrophobicContact CZ-CE2 3.82Å; F425-Y439 HydrophobicContact CZ-CG 4.35Å; F425-Y439 AromaticContact CZ-CZ 3.54Å; L434-Y439 HydrophobicContact CD1-CG 4.23Å; Y439-M441 HydrophobicContact CD2-CG 4.35Å; Y439-M441 HydrophobicContact CD2-SD 4.17Å; Y439-M441 HydrophobicContact CE2-CG 4Å; Y439-M441 HydrophobicContact CE2-SD 3.9Å; Y439-P446 HydrophobicContact CD2-CB 3.86Å; Y439-P446 HydrophobicContact CE2-CB 4.36Å; Y439-P446 HydrophobicContact CG-CB 4.49Å; Y439-I447 CarbonylContact C-O 3.52Å; Y439-I447 VanDerWaalsContact CA-O 3.29Å; Y439-I447 WeakPolarHBondContact CA-O 3.38Å; Y439-I447 WeakPolarHBondContact CB-O 3.15Å
440	V	93	Very high	91.4	Very high	25 Å²	25	62.5 Å²	62.5	15%	0.152	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.5	174.4	-171.9	0	0	0	0	108.8	I447 Y452 P469	V440-I447 PolarHBondContact N-O 2.83Å; V440-I447 PolarHBondContact O-N 2.86Å; V440-Y452 HydrophobicContact CB-CD2 3.75Å; V440-Y452 HydrophobicContact CB-CE2 4.17Å; V440-Y452 HydrophobicContact CB-CG 4.17Å; V440-Y452 HydrophobicContact CG1-CD2 3.81Å; V440-Y452 HydrophobicContact CG1-CE2 3.69Å; V440-Y452 HydrophobicContact CG2-CD1 4.26Å; V440-Y452 HydrophobicContact CG2-CD2 3.94Å; V440-Y452 HydrophobicContact CG2-CE2 4.43Å; V440-Y452 HydrophobicContact CG2-CG 3.85Å; V440-P469 HydrophobicContact CG2-CB 3.59Å; V440-P469 HydrophobicContact CG2-CG 3.56Å
441	M	91.9	Very high	91.6	Very high	65 Å²	65	60.1 Å²	60.1	32%	0.32	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	112.7	171.2	-69.8	-61.6	-70.2	0	0	109.9	E416 Y439 K445 P446	E416-M441 HydrophobicContact CG-CE 3.78Å; E416-M441 HydrophobicContact CG-CG 4.41Å; E416-M441 HydrophobicContact CG-SD 3.84Å; Y439-M441 HydrophobicContact CD2-CG 4.35Å; Y439-M441 HydrophobicContact CD2-SD 4.17Å; Y439-M441 HydrophobicContact CE2-CG 4Å; Y439-M441 HydrophobicContact CE2-SD 3.9Å; M441-K445 WeakPolarHBondContact CA-O 3.34Å; M441-P446 HydrophobicContact SD-CB 3.72Å; M441-P446 HydrophobicContact SD-CG 4.48Å
442	E	89.8	Confident	91.9	Very high	51 Å²	51	58.1 Å²	58.1	24%	0.238	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.4	-178.5	-176.7	61	-122.1	0	0	108.7	D444 K445 I447 Y456	E442-D444 PolarHBondContact O-N 3.32Å; E442-K445 PolarHBondContact N-O 3.41Å; E442-K445 WeakPolarHBondContact O-CB 3.48Å; E442-K445 PolarHBondContact O-N 2.59Å; E442-K445 VanDerWaalsContact O-N 3.11Å; E442-I447 HydrophobicContact CB-CG1 3.81Å; E442-Y456 HydrophobicContact CG-CD1 3.66Å; E442-Y456 HydrophobicContact CG-CE1 3.84Å; E442-Y456 HydrophobicContact CG-CG 4.05Å
443	N	84.6	Confident	91.9	Very high	124 Å²	124	58.2 Å²	58.2	66%	0.663	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	54.7	-174.2	-54	-81.6	0	0	0	113	K445	N443-K445 PolarHBondContact O-N 3.22Å; N443-K445 VanDerWaalsContact O-N 3.16Å
444	D	83.6	Confident	91.8	Very high	144 Å²	144	62 Å²	62	77%	0.77	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	18.2	-177	-56.2	-33.4	0	0	0	115.3	E442	E442-D444 PolarHBondContact O-N 3.32Å
445	K	85.4	Confident	91.6	Very high	61 Å²	61	66 Å²	66	27%	0.265	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.4	176.3	-61.1	165.3	179.9	-173	0	110.4	F428 M441 E442 N443 I447	F428-K445 HydrophobicContact CB-CB 3.95Å; F428-K445 HydrophobicContact CB-CD 4.49Å; F428-K445 HydrophobicContact CB-CG 4.45Å; F428-K445 HydrophobicContact CD1-CD 3.95Å; F428-K445 HydrophobicContact CD2-CB 4.07Å; F428-K445 HydrophobicContact CD2-CD 3.61Å; F428-K445 HydrophobicContact CD2-CG 3.64Å; F428-K445 HydrophobicContact CE1-CD 4.06Å; F428-K445 HydrophobicContact CE2-CD 3.7Å; F428-K445 HydrophobicContact CE2-CG 4.04Å; F428-K445 HydrophobicContact CG-CB 4.08Å; F428-K445 HydrophobicContact CG-CD 3.76Å; F428-K445 HydrophobicContact CG-CG 4.03Å; F428-K445 HydrophobicContact CZ-CD 3.96Å; M441-K445 WeakPolarHBondContact CA-O 3.34Å; E442-K445 PolarHBondContact N-O 3.41Å; E442-K445 WeakPolarHBondContact O-CB 3.48Å; E442-K445 PolarHBondContact O-N 2.59Å; E442-K445 VanDerWaalsContact O-N 3.11Å; N443-K445 PolarHBondContact O-N 3.22Å; N443-K445 VanDerWaalsContact O-N 3.16Å; K445-I447 HydrophobicContact CB-CD1 4.23Å
446	P	91.6	Very high	91.5	Very high	24 Å²	24	68.8 Å²	68.8	16%	0.156	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.5	173.6	31.2	-34	0	0	0	110.1	F425 C427 F428 L434 Y439 M441	F425-P446 HydrophobicContact CE2-CB 4.18Å; F425-P446 HydrophobicContact CE2-CG 4.12Å; F425-P446 HydrophobicContact CZ-CB 4.11Å; C427-P446 CarbonylContact C-O 3.19Å; C427-P446 WeakPolarHBondContact CA-O 3.31Å; F428-P446 PolarHBondContact N-O 2.82Å; L434-P446 HydrophobicContact CD1-CB 3.71Å; L434-P446 HydrophobicContact CD1-CG 4.3Å; Y439-P446 HydrophobicContact CD2-CB 3.86Å; Y439-P446 HydrophobicContact CE2-CB 4.36Å; Y439-P446 HydrophobicContact CG-CB 4.49Å; M441-P446 HydrophobicContact SD-CB 3.72Å; M441-P446 HydrophobicContact SD-CG 4.48Å
447	I	93.5	Very high	91.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.9	-178.6	-49.3	-60.9	0	0	0	109	F428 Y439 V440 E442 K445 C451 Y456	F428-I447 HydrophobicContact CB-CD1 3.84Å; Y439-I447 CarbonylContact C-O 3.52Å; Y439-I447 VanDerWaalsContact CA-O 3.29Å; Y439-I447 WeakPolarHBondContact CA-O 3.38Å; Y439-I447 WeakPolarHBondContact CB-O 3.15Å; V440-I447 PolarHBondContact N-O 2.83Å; V440-I447 PolarHBondContact O-N 2.86Å; E442-I447 HydrophobicContact CB-CG1 3.81Å; K445-I447 HydrophobicContact CB-CD1 4.23Å; I447-C451 HydrophobicContact CG2-CB 3.61Å; I447-Y456 HydrophobicContact CD1-CE2 4.07Å; I447-Y456 HydrophobicContact CG1-CD2 4.48Å; I447-Y456 HydrophobicContact CG1-CE2 4.12Å; I447-Y456 HydrophobicContact CG2-CD2 4.1Å; I447-Y456 HydrophobicContact CG2-CE2 4.07Å
448	C	95.4	Very high	91.6	Very high	10 Å²	10	61.5 Å²	61.5	7%	0.068	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	148.6	173.7	68.6	0	0	0	0	111.1	C427 L434 P450 C451 Y452	C427-C448 HydrophobicContact CB-CB 3.98Å; C427-C448 PolarHBondContact SG-N 3.4Å; L434-C448 HydrophobicContact CD2-CB 3.66Å; C448-P450 VanDerWaalsContact C-CD 3.48Å; C448-P450 VanDerWaalsContact C-N 3.3Å; C448-P450 VanDerWaalsContact O-N 3.15Å; C448-C451 PolarHBondContact O-N 3.17Å; C448-Y452 PolarHBondContact O-N 3.04Å
449	K	93.1	Very high	91.6	Very high	50 Å²	50	63.8 Å²	63.8	22%	0.217	32%	0.318	C	S	.	.	H	α-helix	trans	-50.2	-40.6	-179.3	-173.8	161.1	178.9	161	0	113.9	C451 Y452 M453 E468 E470	K449-C451 PolarHBondContact O-N 2.85Å; K449-Y452 PolarHBondContact O-N 3.06Å; K449-M453 HydrophobicContact CG-CG 4.14Å; K449-M453 WeakPolarHBondContact O-CB 3.43Å; K449-M453 VanDerWaalsContact O-CG 3.23Å; K449-M453 WeakPolarHBondContact O-CG 3.42Å; K449-M453 PolarHBondContact O-N 2.88Å; K449-E468 WeakPolarHBondContact CE-OE1 3.42Å; K449-E468 WeakPolarHBondContact CE-OE2 3.34Å; K449-E468 IonicContact NZ-OE1 3.5Å; K449-E468 IonicContact NZ-OE2 3.81Å; K449-E468 PolarHBondContact NZ-OE2 3.31Å; K449-E470 IonicContact NZ-OE2 3.1Å; K449-E470 PolarHBondContact NZ-OE2 2.87Å
450	P	94.7	Very high	91.6	Very high	97 Å²	97	60.6 Å²	60.6	63%	0.63	31%	0.305	S	S	*	.	H	α-helix	trans	-59.3	-44.1	173.6	-27	36.1	0	0	0	115	C448 K454	C448-P450 VanDerWaalsContact C-CD 3.48Å; C448-P450 VanDerWaalsContact C-N 3.3Å; C448-P450 VanDerWaalsContact O-N 3.15Å; P450-K454 WeakPolarHBondContact O-CB 3.06Å; P450-K454 PolarHBondContact O-N 3.04Å
451	C	95.3	Very high	91.5	Very high	17 Å²	17	60.7 Å²	60.7	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-37.7	176.9	-76	0	0	0	0	111.7	D429 C430 I447 C448 K449 K454 N455	D429-C451 HydrophobicContact CB-CB 3.8Å; C430-C451 VanDerWaalsContact SG-SG 3.64Å; I447-C451 HydrophobicContact CG2-CB 3.61Å; C448-C451 PolarHBondContact O-N 3.17Å; K449-C451 PolarHBondContact O-N 2.85Å; C451-K454 PolarHBondContact O-N 3.37Å; C451-N455 WeakPolarHBondContact O-CB 3.34Å; C451-N455 PolarHBondContact O-N 3.3Å
452	Y	94.6	Very high	91.5	Very high	17 Å²	17	60.7 Å²	60.7	7%	0.067	32%	0.316	C	S	.	.	I	π-helix	trans	-57.8	-53	173.5	-170.3	-92	0	0	0	111	V440 C448 K449 K454 N455 Y456 A457 P469	V440-Y452 HydrophobicContact CB-CD2 3.75Å; V440-Y452 HydrophobicContact CB-CE2 4.17Å; V440-Y452 HydrophobicContact CB-CG 4.17Å; V440-Y452 HydrophobicContact CG1-CD2 3.81Å; V440-Y452 HydrophobicContact CG1-CE2 3.69Å; V440-Y452 HydrophobicContact CG2-CD1 4.26Å; V440-Y452 HydrophobicContact CG2-CD2 3.94Å; V440-Y452 HydrophobicContact CG2-CE2 4.43Å; V440-Y452 HydrophobicContact CG2-CG 3.85Å; C448-Y452 PolarHBondContact O-N 3.04Å; K449-Y452 PolarHBondContact O-N 3.06Å; Y452-K454 PolarHBondContact O-N 3.13Å; Y452-N455 PolarHBondContact O-N 2.82Å; Y452-Y456 HydrophobicContact CD2-CD2 4.47Å; Y452-Y456 HydrophobicContact CD2-CG 4.41Å; Y452-Y456 CarbonylContact O-C 3.56Å; Y452-Y456 PolarHBondContact O-N 3.29Å; Y452-A457 HydrophobicContact CD1-CB 3.87Å; Y452-A457 HydrophobicContact CE1-CB 3.75Å; Y452-A457 WeakPolarHBondContact O-CB 3.24Å; Y452-A457 PolarHBondContact O-N 2.96Å; Y452-P469 HydrophobicContact CD1-CB 3.93Å; Y452-P469 HydrophobicContact CD1-CG 3.55Å; Y452-P469 HydrophobicContact CE1-CB 3.65Å; Y452-P469 HydrophobicContact CE1-CG 3.79Å; Y452-P469 HydrophobicContact CG-CG 4.33Å
453	M	92.6	Very high	91.7	Very high	54 Å²	54	60.6 Å²	60.6	27%	0.266	32%	0.32	S	S	.	.	I	π-helix	trans	-62.1	-24	179.8	-68.1	-57.8	-71.7	0	0	114.3	K449 A457 A466 E468	K449-M453 HydrophobicContact CG-CG 4.14Å; K449-M453 WeakPolarHBondContact O-CB 3.43Å; K449-M453 VanDerWaalsContact O-CG 3.23Å; K449-M453 WeakPolarHBondContact O-CG 3.42Å; K449-M453 PolarHBondContact O-N 2.88Å; M453-A457 HydrophobicContact SD-CB 3.84Å; M453-A466 HydrophobicContact CE-CB 3.61Å; M453-E468 HydrophobicContact CE-CG 3.86Å; M453-E468 HydrophobicContact SD-CB 4.36Å; M453-E468 HydrophobicContact SD-CG 4.26Å
454	K	92.6	Very high	92.1	Very high	169 Å²	169	60.6 Å²	60.6	74%	0.735	32%	0.316	S	S	*	.	I	π-helix	trans	-86.6	-47	178.3	-173.2	-168.3	171.1	-172.6	0	113	P450 C451 Y452	P450-K454 WeakPolarHBondContact O-CB 3.06Å; P450-K454 PolarHBondContact O-N 3.04Å; C451-K454 PolarHBondContact O-N 3.37Å; Y452-K454 PolarHBondContact O-N 3.13Å
455	N	91.6	Very high	92.5	Very high	87 Å²	87	60.9 Å²	60.9	47%	0.465	31%	0.31	S	S	.	.	I	π-helix	trans	-107.8	-29.5	-163.4	-64.2	-16.2	0	0	0	113.6	D429 C451 Y452	D429-N455 PolarHBondContact OD2-ND2 2.86Å; C451-N455 WeakPolarHBondContact O-CB 3.34Å; C451-N455 PolarHBondContact O-N 3.3Å; Y452-N455 PolarHBondContact O-N 2.82Å
456	Y	90.8	Very high	92.8	Very high	85 Å²	85	59.3 Å²	59.3	33%	0.333	31%	0.309	S	S	.	.	I	π-helix	trans	-123.1	-24.5	-167.1	-60.4	-75.6	0	0	0	114.2	D429 E442 I447 Y452 V458	D429-Y456 PolarHBondContact OD1-OH 2.81Å; D429-Y456 WeakPolarHBondContact OD2-CE2 3.45Å; E442-Y456 HydrophobicContact CG-CD1 3.66Å; E442-Y456 HydrophobicContact CG-CE1 3.84Å; E442-Y456 HydrophobicContact CG-CG 4.05Å; I447-Y456 HydrophobicContact CD1-CE2 4.07Å; I447-Y456 HydrophobicContact CG1-CD2 4.48Å; I447-Y456 HydrophobicContact CG1-CE2 4.12Å; I447-Y456 HydrophobicContact CG2-CD2 4.1Å; I447-Y456 HydrophobicContact CG2-CE2 4.07Å; Y452-Y456 HydrophobicContact CD2-CD2 4.47Å; Y452-Y456 HydrophobicContact CD2-CG 4.41Å; Y452-Y456 CarbonylContact O-C 3.56Å; Y452-Y456 PolarHBondContact O-N 3.29Å; Y456-V458 PolarHBondContact O-N 3.42Å
457	A	91	Very high	92.8	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65.2	125.6	-171.8	0	0	0	0	0	113	Y452 M453 K459 A466	Y452-A457 HydrophobicContact CD1-CB 3.87Å; Y452-A457 HydrophobicContact CE1-CB 3.75Å; Y452-A457 WeakPolarHBondContact O-CB 3.24Å; Y452-A457 PolarHBondContact O-N 2.96Å; M453-A457 HydrophobicContact SD-CB 3.84Å; A457-K459 PolarHBondContact O-N 2.72Å; A457-A466 HydrophobicContact CB-CB 3.96Å
458	V	91.1	Very high	92.6	Very high	42 Å²	42	62.6 Å²	62.6	26%	0.255	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-55.7	133.5	175.4	178.1	0	0	0	0	110.5	Y456 V467 H480	Y456-V458 PolarHBondContact O-N 3.42Å; V458-V467 PolarHBondContact O-N 3.18Å; V458-H480 HydrophobicContact CG1-CB 3.47Å; V458-H480 VanDerWaalsContact CG1-CB 3.47Å; V458-H480 WeakPolarHBondContact CG1-CD2 3.23Å; V458-H480 VanDerWaalsContact CG1-CG 3.46Å
459	K	93.4	Very high	92	Very high	138 Å²	138	63.2 Å²	63.2	60%	0.6	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-93.8	138.1	178.6	-64.1	177.2	-174.9	173.3	0	110.9	A457 A461 K465	A457-K459 PolarHBondContact O-N 2.72Å; K459-A461 PolarHBondContact O-N 3.36Å; K459-K465 WeakPolarHBondContact CA-O 3.33Å
460	C	93.7	Very high	91.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.8	124.2	177.1	169.8	0	0	0	0	110.9	S462 C463 Q464 K465 V467 H480 H482	C460-S462 PolarHBondContact O-N 2.93Å; C460-S462 VanDerWaalsContact O-N 3.15Å; C460-C463 VanDerWaalsContact CB-SG 3.59Å; C460-C463 PolarHBondContact O-N 2.67Å; C460-Q464 VanDerWaalsContact O-CA 3.23Å; C460-Q464 WeakPolarHBondContact O-CA 3.3Å; C460-Q464 PolarHBondContact O-N 3.33Å; C460-K465 PolarHBondContact N-O 3.31Å; C460-V467 HydrophobicContact CB-CG2 4Å; C460-H480 CarbonylContact C-O 3.47Å; C460-H480 WeakPolarHBondContact CA-O 3.39Å; C460-H482 WeakPolarHBondContact CB-CE1 3.35Å; C460-H482 WeakPolarHBondContact CB-ND1 3.31Å; C460-H482 PolarHBondContact SG-ND1 2.72Å; C460-H482 VanDerWaalsContact SG-ND1 3.42Å
461	A	92.1	Very high	91.1	Very high	27 Å²	27	63.1 Å²	63.1	22%	0.223	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.6	-175.7	0	0	0	0	0	113.6	K459 Q464 H480 W481	K459-A461 PolarHBondContact O-N 3.36Å; A461-Q464 PolarHBondContact O-NE2 3Å; A461-H480 PolarHBondContact N-O 2.59Å; A461-W481 HydrophobicContact CB-CZ2 4.21Å
462	S	91.3	Very high	90.8	Very high	66 Å²	66	70.3 Å²	70.3	46%	0.462	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-40.7	178.2	-64.2	0	0	0	0	114.4	C460 W481 C487	C460-S462 PolarHBondContact O-N 2.93Å; C460-S462 VanDerWaalsContact O-N 3.15Å; S462-W481 PolarHBondContact OG-NE1 3.49Å; S462-W481 VanDerWaalsContact OG-NE1 3.08Å; S462-C487 WeakPolarHBondContact CB-O 3.39Å; S462-C487 PolarHBondContact OG-O 2.9Å
463	C	93.1	Very high	90.7	Very high	49 Å²	49	74.4 Å²	74.4	33%	0.331	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-5.2	-172.6	78.1	0	0	0	0	114.4	C460 K465 H482	C460-C463 VanDerWaalsContact CB-SG 3.59Å; C460-C463 PolarHBondContact O-N 2.67Å; C463-K465 PolarHBondContact O-N 3.5Å; C463-H482 PolarHBondContact SG-CE1 3.34Å
464	Q	92.6	Very high	90.7	Very high	124 Å²	124	73.4 Å²	73.4	58%	0.579	37%	0.369	S	S	*	.			trans	59.4	0.2	178.9	-58.8	-62.4	-38.7	0	0	116.4	C460 A461	C460-Q464 VanDerWaalsContact O-CA 3.23Å; C460-Q464 WeakPolarHBondContact O-CA 3.3Å; C460-Q464 PolarHBondContact O-N 3.33Å; A461-Q464 PolarHBondContact O-NE2 3Å
465	K	92.4	Very high	90.6	Very high	149 Å²	149	68.3 Å²	68.3	65%	0.648	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-72	151.1	169	-56.8	-178.5	-175	177.9	0	110.6	K459 C460 C463	K459-K465 WeakPolarHBondContact CA-O 3.33Å; C460-K465 PolarHBondContact N-O 3.31Å; C463-K465 PolarHBondContact O-N 3.5Å
466	A	92.9	Very high	90.6	Very high	28 Å²	28	70.2 Å²	70.2	23%	0.231	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-60.9	146.8	169.2	0	0	0	0	0	111.2	M453 A457 H482	M453-A466 HydrophobicContact CE-CB 3.61Å; A457-A466 HydrophobicContact CB-CB 3.96Å; A466-H482 PolarHBondContact O-CE1 3.13Å; A466-H482 PolarHBondContact O-NE2 3.44Å
467	V	91.5	Very high	90.4	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.024	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-98.8	130	172.1	-174.2	0	0	0	0	107.8	V458 C460 R473	V458-V467 PolarHBondContact O-N 3.18Å; C460-V467 HydrophobicContact CB-CG2 4Å; V467-R473 HydrophobicContact CG1-CB 3.81Å
468	E	88.3	Confident	90.3	Very high	89 Å²	89	77.5 Å²	77.5	42%	0.416	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.3	144.4	179.7	-55.7	-150.6	140.8	0	0	111.6	K449 M453 E470 A471	K449-E468 WeakPolarHBondContact CE-OE1 3.42Å; K449-E468 WeakPolarHBondContact CE-OE2 3.34Å; K449-E468 IonicContact NZ-OE1 3.5Å; K449-E468 IonicContact NZ-OE2 3.81Å; K449-E468 PolarHBondContact NZ-OE2 3.31Å; M453-E468 HydrophobicContact CE-CG 3.86Å; M453-E468 HydrophobicContact SD-CB 4.36Å; M453-E468 HydrophobicContact SD-CG 4.26Å; E468-E470 VanDerWaalsContact C-N 3.3Å; E468-E470 PolarHBondContact O-N 3.25Å; E468-A471 HydrophobicContact CB-CB 3.91Å; E468-A471 WeakPolarHBondContact O-CB 3.46Å; E468-A471 PolarHBondContact O-N 3.49Å
469	P	82.8	Confident	90.2	Very high	23 Å²	23	78.4 Å²	78.4	15%	0.149	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.5	-176.3	13.3	-24.3	0	0	0	113.4	V440 Y452 R473	V440-P469 HydrophobicContact CG2-CB 3.59Å; V440-P469 HydrophobicContact CG2-CG 3.56Å; Y452-P469 HydrophobicContact CD1-CB 3.93Å; Y452-P469 HydrophobicContact CD1-CG 3.55Å; Y452-P469 HydrophobicContact CE1-CB 3.65Å; Y452-P469 HydrophobicContact CE1-CG 3.79Å; Y452-P469 HydrophobicContact CG-CG 4.33Å; P469-R473 PolarHBondContact O-NH1 2.95Å
470	E	83.6	Confident	90.2	Very high	106 Å²	106	74 Å²	74	50%	0.495	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.2	178	-50.9	76.3	-156.7	0	0	113.7	K449 E468	K449-E470 IonicContact NZ-OE2 3.1Å; K449-E470 PolarHBondContact NZ-OE2 2.87Å; E468-E470 VanDerWaalsContact C-N 3.3Å; E468-E470 PolarHBondContact O-N 3.25Å
471	A	86.3	Confident	90.2	Very high	39 Å²	39	74.2 Å²	74.2	32%	0.322	39%	0.394	S	S	.	.	S	Bend	trans	-77.4	143.2	-175.5	0	0	0	0	0	112.2	E468 R473	E468-A471 HydrophobicContact CB-CB 3.91Å; E468-A471 WeakPolarHBondContact O-CB 3.46Å; E468-A471 PolarHBondContact O-N 3.49Å; A471-R473 PolarHBondContact O-N 3.3Å
472	Q	89.1	Confident	90.4	Very high	168 Å²	168	74 Å²	74	79%	0.785	39%	0.388	S	S	*	.			trans	-62	129.5	172.2	-68.4	-171.1	-6.3	0	0	110.3	A483	Q472-A483 HydrophobicContact CB-CB 3.79Å; Q472-A483 WeakPolarHBondContact O-CB 3.42Å; Q472-A483 PolarHBondContact O-N 2.82Å
473	R	92.4	Very high	90.4	Very high	103 Å²	103	72.4 Å²	72.4	39%	0.389	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.5	-178.7	69.4	179.2	177	-92.8	6.5	111.8	V467 P469 A471 W481	V467-R473 HydrophobicContact CG1-CB 3.81Å; P469-R473 PolarHBondContact O-NH1 2.95Å; A471-R473 PolarHBondContact O-N 3.3Å; R473-W481 CarbonylContact C-O 3.59Å; R473-W481 VanDerWaalsContact CA-O 3.23Å; R473-W481 WeakPolarHBondContact CA-O 3.33Å; R473-W481 WeakPolarHBondContact CB-O 3.1Å
474	V	92.3	Very high	90.4	Very high	33 Å²	33	74.6 Å²	74.6	20%	0.2	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.5	170.6	-170.9	0	0	0	0	108	H480 W481 A483 F488	V474-H480 CarbonylContact O-C 3.47Å; V474-H480 VanDerWaalsContact O-CA 3.31Å; V474-H480 WeakPolarHBondContact O-CA 3.44Å; V474-W481 PolarHBondContact N-O 2.87Å; V474-W481 PolarHBondContact O-N 3.16Å; V474-A483 HydrophobicContact CG2-CB 4.41Å; V474-F488 HydrophobicContact CB-CD1 4.37Å; V474-F488 HydrophobicContact CB-CD2 4Å; V474-F488 HydrophobicContact CB-CE2 4.15Å; V474-F488 HydrophobicContact CB-CG 4.13Å; V474-F488 HydrophobicContact CB-CZ 4.42Å; V474-F488 HydrophobicContact CG1-CD1 4.21Å; V474-F488 HydrophobicContact CG1-CD2 4.01Å; V474-F488 HydrophobicContact CG1-CE1 3.85Å; V474-F488 HydrophobicContact CG1-CE2 3.64Å; V474-F488 HydrophobicContact CG1-CG 4.3Å; V474-F488 HydrophobicContact CG1-CZ 3.58Å; V474-F488 HydrophobicContact CG2-CB 4.4Å; V474-F488 HydrophobicContact CG2-CD1 3.96Å; V474-F488 HydrophobicContact CG2-CD2 4.37Å; V474-F488 HydrophobicContact CG2-CE1 4.38Å; V474-F488 HydrophobicContact CG2-CG 3.98Å
475	S	91.4	Very high	90.3	Very high	63 Å²	63	72.8 Å²	72.8	44%	0.441	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135	-178.5	-52.5	0	0	0	0	109.7	H479 H480	S475-H479 WeakPolarHBondContact CA-O 3.39Å; S475-H480 VanDerWaalsContact CB-ND1 3.3Å; S475-H480 WeakPolarHBondContact CB-ND1 3.49Å; S475-H480 PolarHBondContact OG-ND1 2.94Å
476	Y	90.6	Very high	90.3	Very high	127 Å²	127	71.2 Å²	71.2	50%	0.498	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	110.4	177.5	-177.2	-91.1	0	0	0	110.1	H479 F502 A504	Y476-H479 PolarHBondContact N-O 2.93Å; Y476-H479 PolarHBondContact O-N 3.39Å; Y476-F502 HydrophobicContact CD2-CE2 4.09Å; Y476-F502 AromaticContact CD2-CZ 3.76Å; Y476-F502 HydrophobicContact CD2-CZ 3.76Å; Y476-F502 HydrophobicContact CE2-CE2 4.49Å; Y476-F502 HydrophobicContact CE2-CZ 4.36Å; Y476-F502 HydrophobicContact CG-CE2 4.16Å; Y476-F502 HydrophobicContact CG-CZ 4.1Å; Y476-A504 HydrophobicContact CD1-CB 3.77Å; Y476-A504 HydrophobicContact CE1-CB 3.64Å
477	G	87.3	Confident	90.4	Very high	70 Å²	70	70.1 Å²	70.1	72%	0.722	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-136.5	-165.3	0	0	0	0	0	110.4	H479	G477-H479 PolarHBondContact O-N 3.45Å
478	E	88.1	Confident	90.6	Very high	179 Å²	179	70.1 Å²	70.1	84%	0.836	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.1	176.8	-57.6	173.6	153.5	0	0	113.6	H480	E478-H480 PolarHBondContact O-CD2 3.43Å
479	H	90.3	Very high	90.9	Very high	61 Å²	61	68.7 Å²	68.7	28%	0.282	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.9	-176	-68.8	65.7	0	0	0	111.5	S475 Y476 G477 W481	S475-H479 WeakPolarHBondContact CA-O 3.39Å; Y476-H479 PolarHBondContact N-O 2.93Å; Y476-H479 PolarHBondContact O-N 3.39Å; G477-H479 PolarHBondContact O-N 3.45Å; H479-W481 HydrophobicContact CB-CH2 3.34Å; H479-W481 HydrophobicContact CB-CZ2 3.91Å; H479-W481 HydrophobicContact CB-CZ3 3.74Å; H479-W481 WeakPolarHBondContact O-CZ3 3.24Å
480	H	92.9	Very high	91.5	Very high	45 Å²	45	67.7 Å²	67.7	21%	0.208	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154	-177.6	-55.1	-89.6	0	0	0	111.1	V458 C460 A461 V474 S475 E478	V458-H480 HydrophobicContact CG1-CB 3.47Å; V458-H480 VanDerWaalsContact CG1-CB 3.47Å; V458-H480 WeakPolarHBondContact CG1-CD2 3.23Å; V458-H480 VanDerWaalsContact CG1-CG 3.46Å; C460-H480 CarbonylContact C-O 3.47Å; C460-H480 WeakPolarHBondContact CA-O 3.39Å; A461-H480 PolarHBondContact N-O 2.59Å; V474-H480 CarbonylContact O-C 3.47Å; V474-H480 VanDerWaalsContact O-CA 3.31Å; V474-H480 WeakPolarHBondContact O-CA 3.44Å; S475-H480 VanDerWaalsContact CB-ND1 3.3Å; S475-H480 WeakPolarHBondContact CB-ND1 3.49Å; S475-H480 PolarHBondContact OG-ND1 2.94Å; E478-H480 PolarHBondContact O-CD2 3.43Å
481	W	93.9	Very high	92	Very high	6 Å²	6	65.5 Å²	65.5	2%	0.023	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	147	-179.6	-61.2	-95.4	0	0	0	110.9	A461 S462 R473 V474 H479 C487 F488 L509	A461-W481 HydrophobicContact CB-CZ2 4.21Å; S462-W481 PolarHBondContact OG-NE1 3.49Å; S462-W481 VanDerWaalsContact OG-NE1 3.08Å; R473-W481 CarbonylContact C-O 3.59Å; R473-W481 VanDerWaalsContact CA-O 3.23Å; R473-W481 WeakPolarHBondContact CA-O 3.33Å; R473-W481 WeakPolarHBondContact CB-O 3.1Å; V474-W481 PolarHBondContact N-O 2.87Å; V474-W481 PolarHBondContact O-N 3.16Å; H479-W481 HydrophobicContact CB-CH2 3.34Å; H479-W481 HydrophobicContact CB-CZ2 3.91Å; H479-W481 HydrophobicContact CB-CZ3 3.74Å; H479-W481 WeakPolarHBondContact O-CZ3 3.24Å; W481-C487 VanDerWaalsContact CD1-O 3.3Å; W481-F488 HydrophobicContact CB-CB 4.28Å; W481-F488 HydrophobicContact CB-CD2 3.97Å; W481-F488 AromaticContact CD2-CD2 3.7Å; W481-F488 HydrophobicContact CD2-CD2 3.7Å; W481-F488 AromaticContact CD2-CE2 3.99Å; W481-F488 HydrophobicContact CD2-CE2 3.99Å; W481-F488 AromaticContact CE3-CD2 3.88Å; W481-F488 HydrophobicContact CE3-CD2 3.88Å; W481-F488 AromaticContact CE3-CE2 3.78Å; W481-F488 HydrophobicContact CE3-CE2 3.78Å; W481-F488 AromaticContact CG-CD2 3.76Å; W481-F488 HydrophobicContact CG-CD2 3.76Å; W481-F488 HydrophobicContact CZ3-CE2 4.1Å; W481-L509 HydrophobicContact CD2-CD1 4.47Å; W481-L509 HydrophobicContact CH2-CD2 4.01Å; W481-L509 HydrophobicContact CZ2-CD1 3.95Å; W481-L509 HydrophobicContact CZ2-CD2 3.88Å; W481-L509 HydrophobicContact CZ2-CG 4.11Å
482	H	94.7	Very high	92.3	Very high	23 Å²	23	64.1 Å²	64.1	11%	0.106	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	140.7	162.1	-54.6	83.7	0	0	0	109.4	C460 C463 A466 E484 C487	C460-H482 WeakPolarHBondContact CB-CE1 3.35Å; C460-H482 WeakPolarHBondContact CB-ND1 3.31Å; C460-H482 PolarHBondContact SG-ND1 2.72Å; C460-H482 VanDerWaalsContact SG-ND1 3.42Å; C463-H482 PolarHBondContact SG-CE1 3.34Å; A466-H482 PolarHBondContact O-CE1 3.13Å; A466-H482 PolarHBondContact O-NE2 3.44Å; H482-E484 HydrophobicContact CB-CB 4.25Å; H482-E484 HydrophobicContact CB-CG 3.86Å; H482-E484 IonicContact CG-OE2 2.65Å; H482-E484 PolarHBondContact O-N 2.88Å; H482-C487 HydrophobicContact CB-CB 3.91Å
483	A	93.1	Very high	92.5	Very high	31 Å²	31	58.8 Å²	58.8	26%	0.256	32%	0.324	S	S	.	.	S	Bend	trans	-75.6	52.8	174.2	0	0	0	0	0	111.9	Q472 V474 I498	Q472-A483 HydrophobicContact CB-CB 3.79Å; Q472-A483 WeakPolarHBondContact O-CB 3.42Å; Q472-A483 PolarHBondContact O-N 2.82Å; V474-A483 HydrophobicContact CG2-CB 4.41Å; A483-I498 VanDerWaalsContact O-CD1 3.3Å; A483-I498 WeakPolarHBondContact O-CD1 3.23Å
484	E	92	Very high	92.6	Very high	96 Å²	96	58.9 Å²	58.9	45%	0.449	34%	0.337	S	S	.	.	S	Bend	trans	-119.5	145.9	-176	-65.6	172.2	161.9	0	0	110.8	H482 D486 C487 F488	H482-E484 HydrophobicContact CB-CB 4.25Å; H482-E484 HydrophobicContact CB-CG 3.86Å; H482-E484 IonicContact CG-OE2 2.65Å; H482-E484 PolarHBondContact O-N 2.88Å; E484-D486 PolarHBondContact O-N 3.22Å; E484-D486 VanDerWaalsContact O-N 3.13Å; E484-C487 HydrophobicContact CB-CB 4.29Å; E484-C487 PolarHBondContact O-N 2.95Å; E484-C487 PolarHBondContact OE2-SG 3.41Å; E484-C487 VanDerWaalsContact OE2-SG 3.41Å; E484-F488 PolarHBondContact O-N 3.48Å
485	P	91.4	Very high	92.7	Very high	86 Å²	86	62.3 Å²	62.3	56%	0.558	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.7	177.4	-27	35.5	0	0	0	114.2	K489 C496	P485-K489 WeakPolarHBondContact O-CB 3.34Å; P485-C496 HydrophobicContact CB-CB 4.19Å
486	D	92.1	Very high	92.8	Very high	115 Å²	115	61.3 Å²	61.3	62%	0.615	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.5	179.6	-92.2	-56	0	0	0	114.5	E484 K489	E484-D486 PolarHBondContact O-N 3.22Å; E484-D486 VanDerWaalsContact O-N 3.13Å; D486-K489 VanDerWaalsContact O-CE 3.32Å; D486-K489 WeakPolarHBondContact O-CE 3.29Å; D486-K489 PolarHBondContact O-NZ 3.43Å; D486-K489 IonicContact OD1-NZ 3.58Å; D486-K489 PolarHBondContact OD1-NZ 2.83Å
487	C	94.1	Very high	93.1	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.041	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-43.4	-177.7	-72	0	0	0	0	112	S462 W481 H482 E484	S462-C487 WeakPolarHBondContact CB-O 3.39Å; S462-C487 PolarHBondContact OG-O 2.9Å; W481-C487 VanDerWaalsContact CD1-O 3.3Å; H482-C487 HydrophobicContact CB-CB 3.91Å; E484-C487 HydrophobicContact CB-CB 4.29Å; E484-C487 PolarHBondContact O-N 2.95Å; E484-C487 PolarHBondContact OE2-SG 3.41Å; E484-C487 VanDerWaalsContact OE2-SG 3.41Å
488	F	95.4	Very high	93.4	Very high	3 Å²	3	55 Å²	55	1%	0.013	30%	0.299	C	S	.	.	S	Bend	trans	-107	71.9	-177.4	-162.5	-110.4	0	0	0	111.8	V474 W481 E484 L497 I498 F502 L509	V474-F488 HydrophobicContact CB-CD1 4.37Å; V474-F488 HydrophobicContact CB-CD2 4Å; V474-F488 HydrophobicContact CB-CE2 4.15Å; V474-F488 HydrophobicContact CB-CG 4.13Å; V474-F488 HydrophobicContact CB-CZ 4.42Å; V474-F488 HydrophobicContact CG1-CD1 4.21Å; V474-F488 HydrophobicContact CG1-CD2 4.01Å; V474-F488 HydrophobicContact CG1-CE1 3.85Å; V474-F488 HydrophobicContact CG1-CE2 3.64Å; V474-F488 HydrophobicContact CG1-CG 4.3Å; V474-F488 HydrophobicContact CG1-CZ 3.58Å; V474-F488 HydrophobicContact CG2-CB 4.4Å; V474-F488 HydrophobicContact CG2-CD1 3.96Å; V474-F488 HydrophobicContact CG2-CD2 4.37Å; V474-F488 HydrophobicContact CG2-CE1 4.38Å; V474-F488 HydrophobicContact CG2-CG 3.98Å; W481-F488 HydrophobicContact CB-CB 4.28Å; W481-F488 HydrophobicContact CB-CD2 3.97Å; W481-F488 AromaticContact CD2-CD2 3.7Å; W481-F488 HydrophobicContact CD2-CD2 3.7Å; W481-F488 AromaticContact CD2-CE2 3.99Å; W481-F488 HydrophobicContact CD2-CE2 3.99Å; W481-F488 AromaticContact CE3-CD2 3.88Å; W481-F488 HydrophobicContact CE3-CD2 3.88Å; W481-F488 AromaticContact CE3-CE2 3.78Å; W481-F488 HydrophobicContact CE3-CE2 3.78Å; W481-F488 AromaticContact CG-CD2 3.76Å; W481-F488 HydrophobicContact CG-CD2 3.76Å; W481-F488 HydrophobicContact CZ3-CE2 4.1Å; E484-F488 PolarHBondContact O-N 3.48Å; F488-L497 HydrophobicContact CD1-CB 3.58Å; F488-L497 HydrophobicContact CE1-CB 3.46Å; F488-L497 VanDerWaalsContact CE1-CB 3.46Å; F488-L497 WeakPolarHBondContact CE1-O 3.32Å; F488-L497 HydrophobicContact CG-CB 4.48Å; F488-L497 HydrophobicContact CZ-CB 4.28Å; F488-L497 PolarHBondContact O-N 2.86Å; F488-I498 HydrophobicContact CB-CG1 4.18Å; F488-I498 HydrophobicContact CD1-CG1 4Å; F488-F502 HydrophobicContact CE1-CD1 4.28Å; F488-F502 HydrophobicContact CE1-CE1 4.34Å; F488-F502 AromaticContact CZ-CD1 3.95Å; F488-F502 HydrophobicContact CZ-CD1 3.95Å; F488-F502 HydrophobicContact CZ-CD2 4.29Å; F488-F502 AromaticContact CZ-CE1 3.77Å; F488-F502 HydrophobicContact CZ-CE1 3.77Å; F488-F502 HydrophobicContact CZ-CE2 4.12Å; F488-F502 HydrophobicContact CZ-CG 4.22Å; F488-F502 AromaticContact CZ-CZ 3.87Å; F488-F502 HydrophobicContact CZ-CZ 3.87Å; F488-L509 HydrophobicContact CD2-CD1 3.52Å; F488-L509 HydrophobicContact CE2-CD1 3.47Å; F488-L509 VanDerWaalsContact CE2-CD1 3.47Å; F488-L509 HydrophobicContact CE2-CD2 4.2Å; F488-L509 HydrophobicContact CE2-CG 4.49Å; F488-L509 HydrophobicContact CG-CD1 4.38Å; F488-L509 HydrophobicContact CZ-CD1 4.28Å
489	K	95.4	Very high	93.5	Very high	60 Å²	60	50.3 Å²	50.3	26%	0.261	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-130.1	157.9	-174.7	64.8	-173.4	-177.7	-130.2	0	114.7	P485 D486 S491 T494 K495	P485-K489 WeakPolarHBondContact O-CB 3.34Å; D486-K489 VanDerWaalsContact O-CE 3.32Å; D486-K489 WeakPolarHBondContact O-CE 3.29Å; D486-K489 PolarHBondContact O-NZ 3.43Å; D486-K489 IonicContact OD1-NZ 3.58Å; D486-K489 PolarHBondContact OD1-NZ 2.83Å; K489-S491 PolarHBondContact O-N 3.27Å; K489-T494 WeakPolarHBondContact CB-O 3.43Å; K489-K495 WeakPolarHBondContact CA-O 3.2Å
490	C	95.6	Very high	93.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	31%	0.305	C	S	.	.			trans	-71	125.9	179	-179.5	0	0	0	0	112.5	G492 C493 T494 K495 L497 L509 C511	C490-G492 PolarHBondContact O-N 2.8Å; C490-G492 PolarHBondContact SG-N 3.29Å; C490-G492 VanDerWaalsContact SG-N 3.43Å; C490-C493 PolarHBondContact O-N 2.87Å; C490-T494 VanDerWaalsContact O-CA 3.26Å; C490-T494 WeakPolarHBondContact O-CA 3.47Å; C490-T494 PolarHBondContact O-N 3.08Å; C490-K495 PolarHBondContact N-O 2.7Å; C490-L497 HydrophobicContact CB-CD1 4.31Å; C490-L497 HydrophobicContact CB-CD2 4.22Å; C490-L497 HydrophobicContact CB-CG 4.39Å; C490-L509 CarbonylContact C-O 3.44Å; C490-L509 VanDerWaalsContact CA-O 3.29Å; C490-L509 WeakPolarHBondContact CA-O 3.42Å; C490-C511 HydrophobicContact CB-CB 4.36Å; C490-C511 PolarHBondContact SG-N 3.48Å; C490-C511 VanDerWaalsContact SG-N 3.41Å
491	S	93.6	Very high	93.6	Very high	60 Å²	60	60.7 Å²	60.7	42%	0.42	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.6	178.8	-50.1	0	0	0	0	114.3	K489 L509	K489-S491 PolarHBondContact O-N 3.27Å; S491-L509 PolarHBondContact N-O 2.83Å; S491-L509 PolarHBondContact OG-N 3.48Å; S491-L509 PolarHBondContact OG-O 3.41Å
492	G	92.4	Very high	93.6	Very high	10 Å²	10	63.3 Å²	63.3	10%	0.103	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-13.6	-177.4	0	0	0	0	0	116.5	C490	C490-G492 PolarHBondContact O-N 2.8Å; C490-G492 PolarHBondContact SG-N 3.29Å; C490-G492 VanDerWaalsContact SG-N 3.43Å
493	C	94.4	Very high	93.6	Very high	57 Å²	57	65.3 Å²	65.3	39%	0.385	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.1	11.1	-175.3	69	0	0	0	0	115.2	C490 K495 C511	C490-C493 PolarHBondContact O-N 2.87Å; C493-K495 PolarHBondContact O-N 3.49Å; C493-C511 PolarHBondContact SG-SG 3.5Å
494	T	93.7	Very high	93.5	Very high	105 Å²	105	65.2 Å²	65.2	64%	0.644	36%	0.358	S	S	*	.			trans	52.5	1.3	-180	62.7	0	0	0	0	117.9	K489 C490 C496	K489-T494 WeakPolarHBondContact CB-O 3.43Å; C490-T494 VanDerWaalsContact O-CA 3.26Å; C490-T494 WeakPolarHBondContact O-CA 3.47Å; C490-T494 PolarHBondContact O-N 3.08Å; T494-C496 PolarHBondContact O-N 3.15Å
495	K	93.8	Very high	93.3	Very high	105 Å²	105	62.5 Å²	62.5	46%	0.457	35%	0.348	S	S	.	.			trans	-55.7	128.4	174.2	-171.6	-168.8	167.1	-178	0	111	K489 C490 C493	K489-K495 WeakPolarHBondContact CA-O 3.2Å; C490-K495 PolarHBondContact N-O 2.7Å; C493-K495 PolarHBondContact O-N 3.49Å
496	C	94.8	Very high	92.8	Very high	41 Å²	41	66.8 Å²	66.8	28%	0.277	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-55.9	136.4	168.8	177.9	0	0	0	0	111.2	P485 T494 I498	P485-C496 HydrophobicContact CB-CB 4.19Å; T494-C496 PolarHBondContact O-N 3.15Å; C496-I498 VanDerWaalsContact SG-CG1 3.6Å
497	L	95.2	Very high	92.2	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.359	C	S	.	.			trans	-106.9	1.5	-175.2	-63.9	174.4	0	0	0	113.5	F488 C490 G499 Q500 F502 L509 C511	F488-L497 HydrophobicContact CD1-CB 3.58Å; F488-L497 HydrophobicContact CE1-CB 3.46Å; F488-L497 VanDerWaalsContact CE1-CB 3.46Å; F488-L497 WeakPolarHBondContact CE1-O 3.32Å; F488-L497 HydrophobicContact CG-CB 4.48Å; F488-L497 HydrophobicContact CZ-CB 4.28Å; F488-L497 PolarHBondContact O-N 2.86Å; C490-L497 HydrophobicContact CB-CD1 4.31Å; C490-L497 HydrophobicContact CB-CD2 4.22Å; C490-L497 HydrophobicContact CB-CG 4.39Å; L497-G499 PolarHBondContact O-N 3.45Å; L497-Q500 WeakPolarHBondContact O-CB 3.36Å; L497-Q500 PolarHBondContact O-N 3.32Å; L497-F502 HydrophobicContact CD1-CB 3.97Å; L497-F502 HydrophobicContact CD2-CB 4.21Å; L497-F502 HydrophobicContact CG-CB 4.48Å; L497-L509 HydrophobicContact CD1-CB 3.58Å; L497-L509 HydrophobicContact CD1-CD1 4.27Å; L497-L509 HydrophobicContact CD1-CG 4.5Å; L497-C511 HydrophobicContact CD2-CB 3.72Å
498	I	93.8	Very high	91.9	Very high	66 Å²	66	68.4 Å²	68.4	34%	0.338	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	124.7	-179.1	-58.9	169.5	0	0	0	109.2	A483 F488 C496 Q500	A483-I498 VanDerWaalsContact O-CD1 3.3Å; A483-I498 WeakPolarHBondContact O-CD1 3.23Å; F488-I498 HydrophobicContact CB-CG1 4.18Å; F488-I498 HydrophobicContact CD1-CG1 4Å; C496-I498 VanDerWaalsContact SG-CG1 3.6Å; I498-Q500 PolarHBondContact O-N 2.77Å
499	G	90.4	Very high	91.8	Very high	80 Å²	80	68.5 Å²	68.5	83%	0.825	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	14.3	-174.2	0	0	0	0	0	114.8	L497	L497-G499 PolarHBondContact O-N 3.45Å
500	Q	92.7	Very high	91.8	Very high	89 Å²	89	65.6 Å²	65.6	42%	0.416	36%	0.357	S	S	.	.	S	Bend	trans	-108.1	158.5	177.6	-56	-67.9	-86.2	0	0	111	L497 I498	L497-Q500 WeakPolarHBondContact O-CB 3.36Å; L497-Q500 PolarHBondContact O-N 3.32Å; I498-Q500 PolarHBondContact O-N 2.77Å
501	R	93.1	Very high	91.8	Very high	234 Å²	234	67.6 Å²	67.6	88%	0.883	37%	0.37	S	S	*	.			trans	-71	137.2	166.1	-61.6	-179.9	72.3	104.3	-1.5	109.2
502	F	94.8	Very high	91.9	Very high	62 Å²	62	66.3 Å²	66.3	27%	0.272	36%	0.361	S	S	.	.			trans	-144.1	169.2	178.9	70.3	-83.5	0	0	0	111.5	Y476 F488 L497 A504 L509 F510	Y476-F502 HydrophobicContact CD2-CE2 4.09Å; Y476-F502 AromaticContact CD2-CZ 3.76Å; Y476-F502 HydrophobicContact CD2-CZ 3.76Å; Y476-F502 HydrophobicContact CE2-CE2 4.49Å; Y476-F502 HydrophobicContact CE2-CZ 4.36Å; Y476-F502 HydrophobicContact CG-CE2 4.16Å; Y476-F502 HydrophobicContact CG-CZ 4.1Å; F488-F502 HydrophobicContact CE1-CD1 4.28Å; F488-F502 HydrophobicContact CE1-CE1 4.34Å; F488-F502 AromaticContact CZ-CD1 3.95Å; F488-F502 HydrophobicContact CZ-CD1 3.95Å; F488-F502 HydrophobicContact CZ-CD2 4.29Å; F488-F502 AromaticContact CZ-CE1 3.77Å; F488-F502 HydrophobicContact CZ-CE1 3.77Å; F488-F502 HydrophobicContact CZ-CE2 4.12Å; F488-F502 HydrophobicContact CZ-CG 4.22Å; F488-F502 AromaticContact CZ-CZ 3.87Å; F488-F502 HydrophobicContact CZ-CZ 3.87Å; L497-F502 HydrophobicContact CD1-CB 3.97Å; L497-F502 HydrophobicContact CD2-CB 4.21Å; L497-F502 HydrophobicContact CG-CB 4.48Å; F502-A504 HydrophobicContact CE2-CB 4.25Å; F502-L509 HydrophobicContact CD2-CD2 3.96Å; F502-L509 HydrophobicContact CE2-CD2 4.1Å; F502-F510 CarbonylContact C-O 3.59Å; F502-F510 VanDerWaalsContact CA-O 3.24Å; F502-F510 WeakPolarHBondContact CA-O 3.38Å
503	M	93.1	Very high	92	Very high	64 Å²	64	69 Å²	69	32%	0.315	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	166	-64.3	173.3	-74.9	0	0	108.8	F510 S512 V513	M503-F510 HydrophobicContact CE-CB 4.29Å; M503-F510 PolarHBondContact N-O 2.93Å; M503-F510 PolarHBondContact O-N 3.42Å; M503-S512 WeakPolarHBondContact CE-O 3.11Å; M503-V513 HydrophobicContact CE-CG2 3.95Å; M503-V513 HydrophobicContact SD-CG2 4.37Å
504	A	90.9	Very high	92	Very high	29 Å²	29	72.1 Å²	72.1	24%	0.24	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.9	165.3	0	0	0	0	0	109.2	Y476 F502 C508 L509	Y476-A504 HydrophobicContact CD1-CB 3.77Å; Y476-A504 HydrophobicContact CE1-CB 3.64Å; F502-A504 HydrophobicContact CE2-CB 4.25Å; A504-C508 WeakPolarHBondContact CA-O 3.49Å; A504-L509 HydrophobicContact CB-CD2 3.93Å
505	V	88.3	Confident	92	Very high	39 Å²	39	68 Å²	68	24%	0.236	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	114.8	177.1	-172.5	0	0	0	0	108.5	C508 F510 K516 M520	V505-C508 PolarHBondContact N-O 2.79Å; V505-C508 PolarHBondContact O-N 3.38Å; V505-F510 HydrophobicContact CB-CE2 4.26Å; V505-F510 HydrophobicContact CG2-CD2 4.41Å; V505-K516 HydrophobicContact CG2-CD 4.1Å; V505-M520 HydrophobicContact CB-CE 4.49Å; V505-M520 HydrophobicContact CB-SD 4.03Å; V505-M520 HydrophobicContact CG1-CE 3.95Å; V505-M520 HydrophobicContact CG1-SD 3.82Å
506	K	81.1	Confident	92.1	Very high	177 Å²	177	66.4 Å²	66.4	77%	0.77	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-141.8	-159.4	-53.1	-179	180	-178.8	0	108.5	C508 M520	K506-C508 PolarHBondContact O-N 2.9Å; K506-M520 HydrophobicContact CD-CE 4.22Å; K506-M520 HydrophobicContact CG-CE 4.46Å
507	N	78.7	Confident	92	Very high	118 Å²	118	70.7 Å²	70.7	63%	0.631	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	16.2	179.5	-59.1	44.6	0	0	0	113.3
508	C	88.3	Confident	91.8	Very high	37 Å²	37	78.3 Å²	78.3	25%	0.25	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.5	-177.7	-59.2	0	0	0	0	112.1	A504 V505 K506 F510	A504-C508 WeakPolarHBondContact CA-O 3.49Å; V505-C508 PolarHBondContact N-O 2.79Å; V505-C508 PolarHBondContact O-N 3.38Å; K506-C508 PolarHBondContact O-N 2.9Å; C508-F510 HydrophobicContact CB-CD2 4.49Å; C508-F510 HydrophobicContact CB-CE1 4.36Å; C508-F510 HydrophobicContact CB-CE2 3.5Å; C508-F510 VanDerWaalsContact CB-CE2 3.5Å; C508-F510 HydrophobicContact CB-CZ 3.42Å; C508-F510 VanDerWaalsContact CB-CZ 3.42Å
509	L	94.3	Very high	91.6	Very high	4 Å²	4	78.2 Å²	78.2	2%	0.021	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.3	-179.8	-61.5	174	0	0	0	110.6	W481 F488 C490 S491 L497 F502 A504	W481-L509 HydrophobicContact CD2-CD1 4.47Å; W481-L509 HydrophobicContact CH2-CD2 4.01Å; W481-L509 HydrophobicContact CZ2-CD1 3.95Å; W481-L509 HydrophobicContact CZ2-CD2 3.88Å; W481-L509 HydrophobicContact CZ2-CG 4.11Å; F488-L509 HydrophobicContact CD2-CD1 3.52Å; F488-L509 HydrophobicContact CE2-CD1 3.47Å; F488-L509 VanDerWaalsContact CE2-CD1 3.47Å; F488-L509 HydrophobicContact CE2-CD2 4.2Å; F488-L509 HydrophobicContact CE2-CG 4.49Å; F488-L509 HydrophobicContact CG-CD1 4.38Å; F488-L509 HydrophobicContact CZ-CD1 4.28Å; C490-L509 CarbonylContact C-O 3.44Å; C490-L509 VanDerWaalsContact CA-O 3.29Å; C490-L509 WeakPolarHBondContact CA-O 3.42Å; S491-L509 PolarHBondContact N-O 2.83Å; S491-L509 PolarHBondContact OG-N 3.48Å; S491-L509 PolarHBondContact OG-O 3.41Å; L497-L509 HydrophobicContact CD1-CB 3.58Å; L497-L509 HydrophobicContact CD1-CD1 4.27Å; L497-L509 HydrophobicContact CD1-CG 4.5Å; F502-L509 HydrophobicContact CD2-CD2 3.96Å; F502-L509 HydrophobicContact CE2-CD2 4.1Å; A504-L509 HydrophobicContact CB-CD2 3.93Å
510	F	95.4	Very high	91.3	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.2	-175.2	-58.1	-70.3	0	0	0	112.6	F502 M503 V505 C508 C515 K516 V519 M520	F502-F510 CarbonylContact C-O 3.59Å; F502-F510 VanDerWaalsContact CA-O 3.24Å; F502-F510 WeakPolarHBondContact CA-O 3.38Å; M503-F510 HydrophobicContact CE-CB 4.29Å; M503-F510 PolarHBondContact N-O 2.93Å; M503-F510 PolarHBondContact O-N 3.42Å; V505-F510 HydrophobicContact CB-CE2 4.26Å; V505-F510 HydrophobicContact CG2-CD2 4.41Å; C508-F510 HydrophobicContact CB-CD2 4.49Å; C508-F510 HydrophobicContact CB-CE1 4.36Å; C508-F510 HydrophobicContact CB-CE2 3.5Å; C508-F510 VanDerWaalsContact CB-CE2 3.5Å; C508-F510 HydrophobicContact CB-CZ 3.42Å; C508-F510 VanDerWaalsContact CB-CZ 3.42Å; F510-C515 HydrophobicContact CD1-CB 4.27Å; F510-C515 WeakPolarHBondContact CD1-O 3.36Å; F510-C515 WeakPolarHBondContact CE1-O 3.4Å; F510-K516 HydrophobicContact CB-CB 4.21Å; F510-K516 HydrophobicContact CD1-CB 4.16Å; F510-K516 HydrophobicContact CD2-CB 3.94Å; F510-K516 HydrophobicContact CD2-CG 3.99Å; F510-K516 HydrophobicContact CE2-CB 4.35Å; F510-K516 HydrophobicContact CE2-CG 4.07Å; F510-K516 HydrophobicContact CG-CB 3.82Å; F510-K516 HydrophobicContact CG-CG 4.39Å; F510-V519 HydrophobicContact CE1-CB 3.76Å; F510-V519 HydrophobicContact CE1-CG1 4.06Å; F510-V519 HydrophobicContact CE1-CG2 4.08Å; F510-V519 HydrophobicContact CZ-CB 4.14Å; F510-V519 HydrophobicContact CZ-CG1 4.14Å; F510-M520 HydrophobicContact CE2-CG 4.17Å; F510-M520 HydrophobicContact CE2-SD 3.64Å; F510-M520 HydrophobicContact CZ-CG 3.8Å; F510-M520 HydrophobicContact CZ-SD 3.9Å
511	C	95.7	Very high	90.4	Very high	42 Å²	42	81.9 Å²	81.9	28%	0.284	41%	0.411	S	S	.	.	S	Bend	trans	-75.3	-24.2	171.8	59.5	0	0	0	0	113.2	C490 C493 L497 C515	C490-C511 HydrophobicContact CB-CB 4.36Å; C490-C511 PolarHBondContact SG-N 3.48Å; C490-C511 VanDerWaalsContact SG-N 3.41Å; C493-C511 PolarHBondContact SG-SG 3.5Å; L497-C511 HydrophobicContact CD2-CB 3.72Å; C511-C515 VanDerWaalsContact SG-SG 3.61Å
512	S	95	Very high	90.2	Very high	33 Å²	33	74.3 Å²	74.3	23%	0.231	39%	0.387	C	S	.	.	S	Bend	trans	-154.4	168.8	-174.7	87	0	0	0	0	112.4	M503 E514 C515 K516	M503-S512 WeakPolarHBondContact CE-O 3.11Å; S512-E514 VanDerWaalsContact C-N 3.29Å; S512-E514 WeakPolarHBondContact CB-OE2 3.35Å; S512-E514 PolarHBondContact O-N 3.19Å; S512-E514 PolarHBondContact OG-N 2.67Å; S512-E514 PolarHBondContact OG-OE2 3.4Å; S512-C515 PolarHBondContact O-N 3.3Å; S512-C515 PolarHBondContact OG-N 3.42Å; S512-K516 PolarHBondContact O-N 2.96Å; S512-K516 VanDerWaalsContact O-N 3.13Å
513	V	94.2	Very high	90	Very high	68 Å²	68	74.9 Å²	74.9	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-70.7	-29.3	-178.2	178.9	0	0	0	0	111.2	M503 K516 K517	M503-V513 HydrophobicContact CE-CG2 3.95Å; M503-V513 HydrophobicContact SD-CG2 4.37Å; V513-K516 PolarHBondContact O-N 2.9Å; V513-K517 HydrophobicContact CG1-CD 4.32Å; V513-K517 WeakPolarHBondContact O-CG 3.42Å; V513-K517 PolarHBondContact O-N 3.25Å
514	E	94.8	Very high	89.8	Confident	122 Å²	122	75.6 Å²	75.6	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-67.7	-45.8	177	-55.8	62.7	-124.6	0	0	109.6	S512 K516 K517 K518	S512-E514 VanDerWaalsContact C-N 3.29Å; S512-E514 WeakPolarHBondContact CB-OE2 3.35Å; S512-E514 PolarHBondContact O-N 3.19Å; S512-E514 PolarHBondContact OG-N 2.67Å; S512-E514 PolarHBondContact OG-OE2 3.4Å; E514-K516 VanDerWaalsContact C-N 3.31Å; E514-K516 PolarHBondContact O-N 3.08Å; E514-K517 PolarHBondContact O-N 2.9Å; E514-K518 WeakPolarHBondContact O-CB 3.26Å; E514-K518 PolarHBondContact O-N 3.2Å
515	C	94.6	Very high	89.8	Confident	17 Å²	17	78.3 Å²	78.3	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-65.1	-33.6	174.3	-66.9	0	0	0	0	112.7	F510 C511 S512 V519	F510-C515 HydrophobicContact CD1-CB 4.27Å; F510-C515 WeakPolarHBondContact CD1-O 3.36Å; F510-C515 WeakPolarHBondContact CE1-O 3.4Å; C511-C515 VanDerWaalsContact SG-SG 3.61Å; S512-C515 PolarHBondContact O-N 3.3Å; S512-C515 PolarHBondContact OG-N 3.42Å; C515-V519 WeakPolarHBondContact O-CG2 3.39Å
516	K	94.2	Very high	89.9	Confident	73 Å²	73	80.8 Å²	80.8	32%	0.317	42%	0.417	S	S	.	.	H	α-helix	trans	-64.2	-51.6	171	-177.9	-176.8	173.2	178.7	0	111	V505 F510 S512 V513 E514 K518 V519 M520	V505-K516 HydrophobicContact CG2-CD 4.1Å; F510-K516 HydrophobicContact CB-CB 4.21Å; F510-K516 HydrophobicContact CD1-CB 4.16Å; F510-K516 HydrophobicContact CD2-CB 3.94Å; F510-K516 HydrophobicContact CD2-CG 3.99Å; F510-K516 HydrophobicContact CE2-CB 4.35Å; F510-K516 HydrophobicContact CE2-CG 4.07Å; F510-K516 HydrophobicContact CG-CB 3.82Å; F510-K516 HydrophobicContact CG-CG 4.39Å; S512-K516 PolarHBondContact O-N 2.96Å; S512-K516 VanDerWaalsContact O-N 3.13Å; V513-K516 PolarHBondContact O-N 2.9Å; E514-K516 VanDerWaalsContact C-N 3.31Å; E514-K516 PolarHBondContact O-N 3.08Å; K516-K518 VanDerWaalsContact C-N 3.34Å; K516-K518 PolarHBondContact O-N 3.18Å; K516-V519 PolarHBondContact O-N 3.46Å; K516-M520 HydrophobicContact CG-CG 4.23Å; K516-M520 HydrophobicContact CG-SD 3.86Å; K516-M520 WeakPolarHBondContact O-CB 3.46Å; K516-M520 WeakPolarHBondContact O-CG 3.43Å; K516-M520 PolarHBondContact O-N 2.97Å
517	K	92.7	Very high	90.4	Very high	130 Å²	130	74.3 Å²	74.3	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-56.9	-45.4	178.4	-75.2	172.8	176.8	177.8	0	111.7	V513 E514 V519 M520 T521	V513-K517 HydrophobicContact CG1-CD 4.32Å; V513-K517 WeakPolarHBondContact O-CG 3.42Å; V513-K517 PolarHBondContact O-N 3.25Å; E514-K517 PolarHBondContact O-N 2.9Å; K517-V519 PolarHBondContact O-N 2.86Å; K517-V519 VanDerWaalsContact O-N 3.08Å; K517-M520 PolarHBondContact O-N 2.65Å; K517-T521 WeakPolarHBondContact O-CB 3.37Å; K517-T521 PolarHBondContact O-N 2.93Å; K517-T521 PolarHBondContact O-OG1 3.22Å
518	K	91.5	Very high	91.3	Very high	160 Å²	160	71.2 Å²	71.2	70%	0.696	38%	0.377	S	S	*	.	H	α-helix	trans	-60.1	-19.3	-179.7	-169.5	-175.3	172	-166.1	0	114.7	E514 K516	E514-K518 WeakPolarHBondContact O-CB 3.26Å; E514-K518 PolarHBondContact O-N 3.2Å; K516-K518 VanDerWaalsContact C-N 3.34Å; K516-K518 PolarHBondContact O-N 3.18Å
519	V	89	Confident	91.5	Very high	64 Å²	64	73.8 Å²	73.8	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-118.2	-16.3	-174.6	179	0	0	0	0	112.8	F510 C515 K516 K517	F510-V519 HydrophobicContact CE1-CB 3.76Å; F510-V519 HydrophobicContact CE1-CG1 4.06Å; F510-V519 HydrophobicContact CE1-CG2 4.08Å; F510-V519 HydrophobicContact CZ-CB 4.14Å; F510-V519 HydrophobicContact CZ-CG1 4.14Å; C515-V519 WeakPolarHBondContact O-CG2 3.39Å; K516-V519 PolarHBondContact O-N 3.46Å; K517-V519 PolarHBondContact O-N 2.86Å; K517-V519 VanDerWaalsContact O-N 3.08Å
520	M	84.1	Confident	91.3	Very high	74 Å²	74	79.7 Å²	79.7	37%	0.365	42%	0.417	S	S	.	.	H	α-helix	trans	-120.1	18.2	-176.2	-51.6	-162.9	86.5	0	0	113.3	V505 K506 F510 K516 K517	V505-M520 HydrophobicContact CB-CE 4.49Å; V505-M520 HydrophobicContact CB-SD 4.03Å; V505-M520 HydrophobicContact CG1-CE 3.95Å; V505-M520 HydrophobicContact CG1-SD 3.82Å; K506-M520 HydrophobicContact CD-CE 4.22Å; K506-M520 HydrophobicContact CG-CE 4.46Å; F510-M520 HydrophobicContact CE2-CG 4.17Å; F510-M520 HydrophobicContact CE2-SD 3.64Å; F510-M520 HydrophobicContact CZ-CG 3.8Å; F510-M520 HydrophobicContact CZ-SD 3.9Å; K516-M520 HydrophobicContact CG-CG 4.23Å; K516-M520 HydrophobicContact CG-SD 3.86Å; K516-M520 WeakPolarHBondContact O-CB 3.46Å; K516-M520 WeakPolarHBondContact O-CG 3.43Å; K516-M520 PolarHBondContact O-N 2.97Å; K517-M520 PolarHBondContact O-N 2.65Å
521	T	74.2	Confident	90.9	Very high	173 Å²	173	86.9 Å²	86.9	100%	1.061	46%	0.455	S	S	*	.			trans	-120.7	0	169.4	-36.9	0	0	0	0	108	K517	K517-T521 WeakPolarHBondContact O-CB 3.37Å; K517-T521 PolarHBondContact O-N 2.93Å; K517-T521 PolarHBondContact O-OG1 3.22Å

Retrieved 521 of 521 residues in 140.1 ms (Link to these results)

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