A0A5K4F4I0_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4F4I0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 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	31.2	Very low	29.5	Very low	253 Å²	253	174 Å²	174	100%	1.246	85%	0.85	S	S	*	*				0	56.7	0	-73.4	176	174.2	0	0	110.4
2	S	26.9	Very low	29.6	Very low	112 Å²	112	173.1 Å²	173.1	78%	0.783	85%	0.851	S	S	*	*			trans	-108.2	112.1	-176.7	54	0	0	0	0	110.2
3	R	27.6	Very low	29.6	Very low	242 Å²	242	175.7 Å²	175.7	91%	0.913	85%	0.845	S	S	*	*			trans	157.6	117.5	154.4	-95.2	172.8	-173.6	-165.8	2.4	106.9
4	L	31.4	Very low	29.9	Very low	164 Å²	164	171.1 Å²	171.1	86%	0.859	82%	0.824	S	S	*	*			trans	173.6	157.9	150.4	-89.6	162.3	0	0	0	104.3
5	W	30.5	Very low	30.6	Very low	225 Å²	225	166.9 Å²	166.9	85%	0.852	81%	0.808	S	S	*	*			trans	91.2	68.8	-169.2	-57.1	70.2	0	0	0	114.4
6	N	27	Very low	31.4	Very low	166 Å²	166	166.7 Å²	166.7	89%	0.888	80%	0.802	S	S	*	*			trans	-130.2	95.7	141.4	-102.7	-11.9	0	0	0	106.9	S8	N6-S8 PolarHBondContact O-N 3.34Å
7	H	33.4	Very low	31.9	Very low	167 Å²	167	166.4 Å²	166.4	77%	0.773	80%	0.796	S	S	*	*			trans	-78.1	105.1	167.9	-90.2	-75.3	0	0	0	108	H9	H7-H9 PolarHBondContact O-N 3.36Å
8	S	30.2	Very low	32.4	Very low	98 Å²	98	162.5 Å²	162.5	69%	0.685	78%	0.781	S	S	*	*			trans	-70.2	110.2	168.5	36.9	0	0	0	0	109.9	N6 L10	N6-S8 PolarHBondContact O-N 3.34Å; S8-L10 PolarHBondContact O-N 3.11Å; S8-L10 VanDerWaalsContact O-N 3.12Å
9	H	29.9	Very low	33	Very low	181 Å²	181	158.5 Å²	158.5	84%	0.838	76%	0.764	S	S	*	*			trans	-62.6	101.6	155.8	-88.3	-94.1	0	0	0	108.3	H7 E11	H7-H9 PolarHBondContact O-N 3.36Å; H9-E11 VanDerWaalsContact C-N 3.32Å; H9-E11 PolarHBondContact O-N 3.12Å; H9-E11 VanDerWaalsContact O-N 3.11Å
10	L	29.1	Very low	33.8	Very low	155 Å²	155	153.9 Å²	153.9	81%	0.812	75%	0.746	S	S	*	*			trans	-74.2	90.5	162	-103.8	95.5	0	0	0	107.7	S8 L12	S8-L10 PolarHBondContact O-N 3.11Å; S8-L10 VanDerWaalsContact O-N 3.12Å; L10-L12 PolarHBondContact O-N 2.79Å
11	E	27.4	Very low	34.1	Very low	151 Å²	151	152.4 Å²	152.4	71%	0.706	74%	0.737	S	S	*	*			trans	-66	112.9	158.4	-77.3	-170.1	159	0	0	108.2	H9 R13	H9-E11 VanDerWaalsContact C-N 3.32Å; H9-E11 PolarHBondContact O-N 3.12Å; H9-E11 VanDerWaalsContact O-N 3.11Å; E11-R13 PolarHBondContact O-N 2.98Å
12	L	30.6	Very low	34.7	Very low	163 Å²	163	144.4 Å²	144.4	85%	0.853	70%	0.699	S	S	*	*			trans	-62.4	79	163.2	-89.7	143	0	0	0	108.9	L10 M14	L10-L12 PolarHBondContact O-N 2.79Å; L12-M14 PolarHBondContact O-N 3.26Å
13	R	29.4	Very low	35.3	Very low	207 Å²	207	145.6 Å²	145.6	78%	0.781	69%	0.69	S	S	*	*			trans	-71	87.8	161.2	-84	-172.4	176.9	-169.5	-1.6	107.8	E11 D15	E11-R13 PolarHBondContact O-N 2.98Å; R13-D15 PolarHBondContact O-N 3.17Å; R13-D15 VanDerWaalsContact O-N 3.17Å
14	M	34.4	Very low	35.9	Very low	111 Å²	111	138.8 Å²	138.8	55%	0.547	67%	0.671	S	S	.	*			trans	-66.4	108.3	158.3	-84.7	179.3	59.5	0	0	107.7	L12 F16 L19	L12-M14 PolarHBondContact O-N 3.26Å; M14-F16 PolarHBondContact O-N 3.41Å; M14-L19 HydrophobicContact CE-CD2 4.34Å; M14-L19 HydrophobicContact CE-CG 4.1Å
15	D	40	Very low	36.3	Very low	108 Å²	108	135.6 Å²	135.6	58%	0.578	65%	0.65	S	S	*	*			trans	-53.4	133.7	177.9	-85.1	-35.3	0	0	0	111.5	R13 F17 N18 L19	R13-D15 PolarHBondContact O-N 3.17Å; R13-D15 VanDerWaalsContact O-N 3.17Å; D15-F17 PolarHBondContact O-N 2.88Å; D15-N18 PolarHBondContact O-N 3Å; D15-L19 PolarHBondContact O-N 3.48Å
16	F	43.8	Very low	36.7	Very low	164 Å²	164	129 Å²	129	72%	0.719	63%	0.631	S	S	*	*	H	α-helix	trans	-51.1	-30.1	179.9	-164.9	-99.2	0	0	0	112.7	M14 L19 V20	M14-F16 PolarHBondContact O-N 3.41Å; F16-L19 PolarHBondContact O-N 3.32Å; F16-V20 HydrophobicContact CD1-CG2 4.26Å; F16-V20 HydrophobicContact CE1-CG2 4.17Å; F16-V20 WeakPolarHBondContact O-CG2 3.38Å; F16-V20 PolarHBondContact O-N 2.79Å; F16-V20 VanDerWaalsContact O-N 3.13Å
17	F	39.2	Very low	37.1	Very low	161 Å²	161	125 Å²	125	71%	0.706	61%	0.61	S	S	*	*	H	α-helix	trans	-65.4	-37.3	175.1	-81.1	-84.3	0	0	0	113.9	D15 H21	D15-F17 PolarHBondContact O-N 2.88Å; F17-H21 PolarHBondContact O-CD2 2.84Å; F17-H21 VanDerWaalsContact O-CD2 3.3Å; F17-H21 PolarHBondContact O-N 2.88Å
18	N	41.7	Very low	37	Very low	97 Å²	97	121.8 Å²	121.8	52%	0.519	59%	0.592	S	S	.	*	H	α-helix	trans	-72.3	-36.1	177.7	-89.3	-31.2	0	0	0	111.8	D15 H21 I22	D15-N18 PolarHBondContact O-N 3Å; N18-H21 PolarHBondContact O-N 3.07Å; N18-I22 WeakPolarHBondContact O-CB 3.33Å; N18-I22 WeakPolarHBondContact O-CD1 3.44Å; N18-I22 WeakPolarHBondContact O-CG1 3.42Å; N18-I22 PolarHBondContact O-N 3.45Å
19	L	42.5	Very low	37.1	Very low	87 Å²	87	121.2 Å²	121.2	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-63.6	-44.1	173.6	-89.2	155.6	0	0	0	111.6	M14 D15 F16 I22 F23	M14-L19 HydrophobicContact CE-CD2 4.34Å; M14-L19 HydrophobicContact CE-CG 4.1Å; D15-L19 PolarHBondContact O-N 3.48Å; F16-L19 PolarHBondContact O-N 3.32Å; L19-I22 PolarHBondContact O-N 3.13Å; L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 PolarHBondContact O-N 3.48Å
20	V	49	Very low	37.4	Very low	66 Å²	66	115.5 Å²	115.5	40%	0.4	56%	0.56	S	S	.	*	H	α-helix	trans	-64.1	-41.1	176.3	173.1	0	0	0	0	111.1	F16 F23 L24	F16-V20 HydrophobicContact CD1-CG2 4.26Å; F16-V20 HydrophobicContact CE1-CG2 4.17Å; F16-V20 WeakPolarHBondContact O-CG2 3.38Å; F16-V20 PolarHBondContact O-N 2.79Å; F16-V20 VanDerWaalsContact O-N 3.13Å; V20-F23 PolarHBondContact O-N 3.26Å; V20-L24 HydrophobicContact CG1-CD1 3.64Å; V20-L24 HydrophobicContact CG1-CG 4.22Å; V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.37Å; V20-L24 VanDerWaalsContact O-CG 3.23Å; V20-L24 WeakPolarHBondContact O-CG 3.22Å; V20-L24 PolarHBondContact O-N 3.3Å
21	H	40.7	Very low	37.7	Very low	122 Å²	122	115.1 Å²	115.1	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-65.4	-43.5	175.1	-87	-62.2	0	0	0	112.8	F17 N18 F23 F25	F17-H21 PolarHBondContact O-CD2 2.84Å; F17-H21 VanDerWaalsContact O-CD2 3.3Å; F17-H21 PolarHBondContact O-N 2.88Å; N18-H21 PolarHBondContact O-N 3.07Å; H21-F23 VanDerWaalsContact C-N 3.35Å; H21-F23 PolarHBondContact O-N 2.87Å; H21-F25 WeakPolarHBondContact O-CB 3.35Å; H21-F25 PolarHBondContact O-N 2.99Å
22	I	44.7	Very low	38	Very low	86 Å²	86	111.8 Å²	111.8	44%	0.441	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-40.3	176.2	-68.1	164.3	0	0	0	110.7	N18 L19 F25 L26	N18-I22 WeakPolarHBondContact O-CB 3.33Å; N18-I22 WeakPolarHBondContact O-CD1 3.44Å; N18-I22 WeakPolarHBondContact O-CG1 3.42Å; N18-I22 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 3.13Å; I22-F25 PolarHBondContact O-N 2.95Å; I22-L26 HydrophobicContact CG2-CD1 3.89Å; I22-L26 HydrophobicContact CG2-CG 4.36Å; I22-L26 WeakPolarHBondContact O-CB 3.39Å; I22-L26 VanDerWaalsContact O-CG 3.27Å; I22-L26 WeakPolarHBondContact O-CG 3.5Å; I22-L26 PolarHBondContact O-N 2.96Å
23	F	39.3	Very low	38.2	Very low	137 Å²	137	105.4 Å²	105.4	60%	0.601	50%	0.504	S	S	*	.	H	α-helix	trans	-71.1	-41.7	179.5	-137.7	-91.2	0	0	0	112.1	L19 V20 H21 F25 L26 L27	L19-F23 WeakPolarHBondContact O-CB 3.48Å; L19-F23 PolarHBondContact O-N 3.48Å; V20-F23 PolarHBondContact O-N 3.26Å; H21-F23 VanDerWaalsContact C-N 3.35Å; H21-F23 PolarHBondContact O-N 2.87Å; F23-F25 VanDerWaalsContact C-N 3.28Å; F23-F25 PolarHBondContact O-N 3.39Å; F23-L26 PolarHBondContact O-N 3.02Å; F23-L27 HydrophobicContact CD1-CD1 3.84Å; F23-L27 HydrophobicContact CD1-CG 4.35Å; F23-L27 HydrophobicContact CE1-CD1 4.3Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.44Å; F23-L27 VanDerWaalsContact O-CG 3.31Å; F23-L27 WeakPolarHBondContact O-CG 3.18Å; F23-L27 PolarHBondContact O-N 2.83Å
24	L	40.4	Very low	38.9	Very low	99 Å²	99	97.3 Å²	97.3	52%	0.518	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-36.7	170.7	-74.8	169.4	0	0	0	110.9	V20 Y28	V20-L24 HydrophobicContact CG1-CD1 3.64Å; V20-L24 HydrophobicContact CG1-CG 4.22Å; V20-L24 VanDerWaalsContact O-CB 3.23Å; V20-L24 WeakPolarHBondContact O-CB 3.37Å; V20-L24 VanDerWaalsContact O-CG 3.23Å; V20-L24 WeakPolarHBondContact O-CG 3.22Å; V20-L24 PolarHBondContact O-N 3.3Å; L24-Y28 WeakPolarHBondContact O-CA 3.23Å; L24-Y28 WeakPolarHBondContact O-CB 3.23Å; L24-Y28 PolarHBondContact O-N 3.18Å
25	F	38.5	Very low	39.5	Very low	96 Å²	96	92.1 Å²	92.1	42%	0.421	45%	0.452	S	S	.	.	H	α-helix	trans	-70.4	-41.1	177.4	-164.3	-109.2	0	0	0	112	H21 I22 F23 Y28 I29 T487	H21-F25 WeakPolarHBondContact O-CB 3.35Å; H21-F25 PolarHBondContact O-N 2.99Å; I22-F25 PolarHBondContact O-N 2.95Å; F23-F25 VanDerWaalsContact C-N 3.28Å; F23-F25 PolarHBondContact O-N 3.39Å; F25-Y28 PolarHBondContact O-N 2.9Å; F25-I29 HydrophobicContact CD1-CD1 3.39Å; F25-I29 HydrophobicContact CD1-CG1 4.31Å; F25-I29 HydrophobicContact CE1-CD1 3.32Å; F25-I29 HydrophobicContact CE1-CG1 4.25Å; F25-I29 HydrophobicContact CG-CD1 4.16Å; F25-I29 HydrophobicContact CZ-CD1 4.03Å; F25-I29 WeakPolarHBondContact O-CB 3.05Å; F25-I29 WeakPolarHBondContact O-CD1 3.31Å; F25-I29 WeakPolarHBondContact O-CG1 3.05Å; F25-I29 PolarHBondContact O-N 2.79Å; F25-T487 HydrophobicContact CZ-CG2 3.91Å
26	L	40	Very low	39.9	Very low	87 Å²	87	88.1 Å²	88.1	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-40.6	173.1	-73.3	167.8	0	0	0	111.7	I22 F23 S30	I22-L26 HydrophobicContact CG2-CD1 3.89Å; I22-L26 HydrophobicContact CG2-CG 4.36Å; I22-L26 WeakPolarHBondContact O-CB 3.39Å; I22-L26 VanDerWaalsContact O-CG 3.27Å; I22-L26 WeakPolarHBondContact O-CG 3.5Å; I22-L26 PolarHBondContact O-N 2.96Å; F23-L26 PolarHBondContact O-N 3.02Å; L26-S30 WeakPolarHBondContact O-CB 3.14Å; L26-S30 PolarHBondContact O-N 2.83Å; L26-S30 PolarHBondContact O-OG 2.87Å
27	L	34.7	Very low	40	Very low	82 Å²	82	80.4 Å²	80.4	43%	0.429	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-37	172.5	-76.2	166.8	0	0	0	111.6	F23 S30 K31	F23-L27 HydrophobicContact CD1-CD1 3.84Å; F23-L27 HydrophobicContact CD1-CG 4.35Å; F23-L27 HydrophobicContact CE1-CD1 4.3Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.44Å; F23-L27 VanDerWaalsContact O-CG 3.31Å; F23-L27 WeakPolarHBondContact O-CG 3.18Å; F23-L27 PolarHBondContact O-N 2.83Å; L27-S30 PolarHBondContact O-N 3.43Å; L27-S30 PolarHBondContact O-OG 3.38Å; L27-K31 WeakPolarHBondContact O-CG 3.24Å; L27-K31 PolarHBondContact O-N 2.78Å
28	Y	31.8	Very low	40.5	Very low	100 Å²	100	75.4 Å²	75.4	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-70.4	-42.8	177.7	-169.9	-97.4	0	0	0	112	L24 F25 S30 K31 K32	L24-Y28 WeakPolarHBondContact O-CA 3.23Å; L24-Y28 WeakPolarHBondContact O-CB 3.23Å; L24-Y28 PolarHBondContact O-N 3.18Å; F25-Y28 PolarHBondContact O-N 2.9Å; Y28-S30 VanDerWaalsContact C-N 3.3Å; Y28-S30 PolarHBondContact O-N 3.49Å; Y28-K31 PolarHBondContact O-N 2.74Å; Y28-K32 HydrophobicContact CD1-CD 4.5Å; Y28-K32 HydrophobicContact CE1-CD 3.8Å; Y28-K32 HydrophobicContact CE1-CG 4.48Å; Y28-K32 HydrophobicContact CE2-CD 3.95Å; Y28-K32 HydrophobicContact CE2-CG 4.49Å; Y28-K32 VanDerWaalsContact CZ-CD 3.5Å; Y28-K32 PolarHBondContact O-N 3.35Å; Y28-K32 VanDerWaalsContact OH-CE 3.23Å; Y28-K32 WeakPolarHBondContact OH-CE 3.28Å; Y28-K32 PolarHBondContact OH-NZ 2.93Å
29	I	33.2	Very low	40.8	Very low	86 Å²	86	71.4 Å²	71.4	44%	0.441	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-38.9	173.1	-69.6	164	0	0	0	110.5	F25 K31	F25-I29 HydrophobicContact CD1-CD1 3.39Å; F25-I29 HydrophobicContact CD1-CG1 4.31Å; F25-I29 HydrophobicContact CE1-CD1 3.32Å; F25-I29 HydrophobicContact CE1-CG1 4.25Å; F25-I29 HydrophobicContact CG-CD1 4.16Å; F25-I29 HydrophobicContact CZ-CD1 4.03Å; F25-I29 WeakPolarHBondContact O-CB 3.05Å; F25-I29 WeakPolarHBondContact O-CD1 3.31Å; F25-I29 WeakPolarHBondContact O-CG1 3.05Å; F25-I29 PolarHBondContact O-N 2.79Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 3.32Å
30	S	35.7	Very low	41	Very low	61 Å²	61	69.7 Å²	69.7	43%	0.427	34%	0.344	S	S	.	.	H	α-helix	trans	-69.5	-20.9	178.3	76.7	0	0	0	0	114.1	L26 L27 Y28	L26-S30 WeakPolarHBondContact O-CB 3.14Å; L26-S30 PolarHBondContact O-N 2.83Å; L26-S30 PolarHBondContact O-OG 2.87Å; L27-S30 PolarHBondContact O-N 3.43Å; L27-S30 PolarHBondContact O-OG 3.38Å; Y28-S30 VanDerWaalsContact C-N 3.3Å; Y28-S30 PolarHBondContact O-N 3.49Å
31	K	34.7	Very low	40.8	Very low	147 Å²	147	71.7 Å²	71.7	64%	0.639	35%	0.353	S	S	*	.	H	α-helix	trans	-99.8	-24.5	-172.8	-79.2	-174	177.1	-174.2	0	114.9	L27 Y28 I29	L27-K31 WeakPolarHBondContact O-CG 3.24Å; L27-K31 PolarHBondContact O-N 2.78Å; Y28-K31 PolarHBondContact O-N 2.74Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 3.32Å
32	K	33.2	Very low	41.2	Very low	80 Å²	80	69.8 Å²	69.8	35%	0.348	35%	0.347	S	S	.	.	S	Bend	trans	-95.6	-6.6	-163.6	-85	-149.9	170.6	-162.7	0	118.4	Y28 E226	Y28-K32 HydrophobicContact CD1-CD 4.5Å; Y28-K32 HydrophobicContact CE1-CD 3.8Å; Y28-K32 HydrophobicContact CE1-CG 4.48Å; Y28-K32 HydrophobicContact CE2-CD 3.95Å; Y28-K32 HydrophobicContact CE2-CG 4.49Å; Y28-K32 VanDerWaalsContact CZ-CD 3.5Å; Y28-K32 PolarHBondContact O-N 3.35Å; Y28-K32 VanDerWaalsContact OH-CE 3.23Å; Y28-K32 WeakPolarHBondContact OH-CE 3.28Å; Y28-K32 PolarHBondContact OH-NZ 2.93Å; K32-E226 VanDerWaalsContact CE-OE1 3.22Å; K32-E226 WeakPolarHBondContact CE-OE1 3.37Å; K32-E226 IonicContact NZ-OE1 3.43Å; K32-E226 PolarHBondContact NZ-OE1 3.05Å; K32-E226 IonicContact NZ-OE2 3.46Å; K32-E226 PolarHBondContact NZ-OE2 2.78Å
33	C	36.2	Very low	41.8	Very low	30 Å²	30	68.4 Å²	68.4	20%	0.203	34%	0.336	C	S	.	.	S	Bend	trans	-145.7	28.3	-175.3	-86	0	0	0	0	114.7
34	T	44.4	Very low	43.3	Very low	36 Å²	36	64.4 Å²	64.4	22%	0.221	32%	0.32	C	S	.	.			trans	-118.1	106.1	177.1	64.2	0	0	0	0	110	N196 L360	T34-N196 CarbonylContact O-C 3.6Å; T34-L360 VanDerWaalsContact CA-CD1 3.5Å; T34-L360 HydrophobicContact CG2-CD1 3.71Å; T34-L360 HydrophobicContact CG2-CD2 4.28Å
35	S	45.5	Very low	45.3	Very low	3 Å²	3	60.3 Å²	60.3	2%	0.021	30%	0.297	C	S	.	.			trans	-92.4	107.5	164.2	47	0	0	0	0	108.5	N196 T238 L361	S35-N196 CarbonylContact C-O 3.52Å; S35-N196 WeakPolarHBondContact CA-O 3.45Å; S35-T238 PolarHBondContact OG-OG1 2.86Å; S35-L361 VanDerWaalsContact OG-CD1 3.32Å; S35-L361 WeakPolarHBondContact OG-CD1 3.44Å; S35-L361 WeakPolarHBondContact OG-CG 3.3Å
36	V	48.1	Very low	47.8	Very low	23 Å²	23	55.9 Å²	55.9	14%	0.139	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-92.4	108.3	166.6	179.8	0	0	0	0	107.2	N196 T197 F471	V36-N196 HydrophobicContact CG2-CB 4.17Å; V36-N196 PolarHBondContact N-O 3.49Å; V36-T197 PolarHBondContact O-OG1 2.89Å; V36-F471 HydrophobicContact CG1-CZ 4.5Å; V36-F471 HydrophobicContact CG2-CE2 4.28Å; V36-F471 HydrophobicContact CG2-CZ 4.34Å
37	C	47.9	Very low	50.2	Low	3 Å²	3	52 Å²	52	2%	0.02	26%	0.258	C	S	.	.			trans	-76.8	134.1	178.5	-55.7	0	0	0	0	110.1	H241 E242	C37-H241 WeakPolarHBondContact CB-NE2 3.47Å; C37-H241 PolarHBondContact SG-CD2 3.45Å; C37-H241 PolarHBondContact SG-NE2 3.19Å; C37-E242 PolarHBondContact SG-OE1 2.87Å
38	K	47.8	Very low	52.9	Low	55 Å²	55	48.3 Å²	48.3	24%	0.239	24%	0.238	C	C	.	.			trans	-125.8	123.6	-178.6	-73.5	-178.6	175.9	169.4	0	110.3	L191 S194 Y200	K38-L191 HydrophobicContact CB-CD2 3.87Å; K38-L191 HydrophobicContact CD-CD2 3.36Å; K38-L191 HydrophobicContact CG-CD2 4.25Å; K38-S194 PolarHBondContact NZ-OG 3.48Å; K38-Y200 WeakPolarHBondContact O-CB 3.2Å
39	L	49	Very low	55.7	Low	13 Å²	13	44.1 Å²	44.1	7%	0.068	22%	0.223	C	C	.	.			trans	-80.5	151.6	171	-63.6	179.6	0	0	0	111.6	A201 N250 R344	L39-A201 WeakPolarHBondContact CD2-O 3.39Å; L39-N250 HydrophobicContact CD1-CB 4.25Å; L39-R344 HydrophobicContact CB-CG 4.49Å; L39-R344 HydrophobicContact CD1-CB 3.84Å; L39-R344 HydrophobicContact CD1-CG 4.23Å; L39-R344 WeakPolarHBondContact CD1-O 3.29Å; L39-R344 HydrophobicContact CG-CB 4.11Å; L39-R344 HydrophobicContact CG-CG 4.3Å
40	Q	45.5	Very low	58.1	Low	51 Å²	51	41.9 Å²	41.9	24%	0.238	21%	0.213	C	C	.	.			trans	-79.7	139	173.3	-173.3	168.7	-7	0	0	111	D42	Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 2.83Å
41	N	45.6	Very low	59.6	Low	109 Å²	109	43.6 Å²	43.6	58%	0.583	21%	0.214	S	C	*	.	S	Bend	trans	-76.3	-12.6	-176.5	-74.3	-7.9	0	0	0	114.8
42	D	48.3	Very low	60.9	Low	82 Å²	82	41.2 Å²	41.2	44%	0.439	21%	0.205	S	C	.	.			trans	-99.5	92.5	-175.4	-164.7	2.7	0	0	0	110.4	Q40 Q44	Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 2.83Å; D42-Q44 VanDerWaalsContact C-N 3.33Å; D42-Q44 PolarHBondContact O-N 2.86Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.36Å; D42-Q44 PolarHBondContact OD1-NE2 3.25Å
43	Y	58.1	Low	62	Low	57 Å²	57	42.1 Å²	42.1	22%	0.224	22%	0.222	C	C	.	.			trans	-80	76.3	-171.6	-56.4	-66	0	0	0	112.1	Y45 E252	Y43-Y45 PolarHBondContact O-N 3.34Å; Y43-E252 VanDerWaalsContact CD1-CD 3.41Å; Y43-E252 HydrophobicContact CD1-CG 3.22Å; Y43-E252 HydrophobicContact CE1-CG 3.28Å; Y43-E252 WeakPolarHBondContact CE2-OE1 3.31Å; Y43-E252 VanDerWaalsContact CG-CD 3.49Å; Y43-E252 HydrophobicContact CG-CG 3.86Å
44	Q	71.3	Confident	63	Low	53 Å²	53	45.9 Å²	45.9	25%	0.248	24%	0.238	C	C	.	.			trans	-99	78.2	-179.5	-58.6	-61.2	-17.9	0	0	111.6	D42 H118	D42-Q44 VanDerWaalsContact C-N 3.33Å; D42-Q44 PolarHBondContact O-N 2.86Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.36Å; D42-Q44 PolarHBondContact OD1-NE2 3.25Å; Q44-H118 PolarHBondContact OE1-ND1 3.19Å
45	Y	82.6	Confident	63.5	Low	12 Å²	12	48.9 Å²	48.9	5%	0.047	25%	0.253	C	S	.	.			trans	-104	153.6	172.3	51.8	-96.8	0	0	0	112.6	Y43 K120 F203 C204 M206 R255 Y256	Y43-Y45 PolarHBondContact O-N 3.34Å; Y45-K120 PolarHBondContact O-NZ 3.5Å; Y45-F203 HydrophobicContact CD1-CE2 4.09Å; Y45-F203 HydrophobicContact CD1-CZ 4.35Å; Y45-F203 HydrophobicContact CG-CE2 4.01Å; Y45-C204 VanDerWaalsContact CA-O 3.31Å; Y45-C204 WeakPolarHBondContact CA-O 3.47Å; Y45-M206 HydrophobicContact CD2-CE 3.2Å; Y45-M206 HydrophobicContact CE2-CE 3.55Å; Y45-M206 HydrophobicContact CG-CE 3.8Å; Y45-R255 PolarHBondContact OH-NH1 3.18Å; Y45-Y256 HydrophobicContact CE2-CE2 4.04Å; Y45-Y256 AromaticContact CE2-CZ 3.85Å; Y45-Y256 VanDerWaalsContact CE2-OH 3.26Å; Y45-Y256 WeakPolarHBondContact CE2-OH 3.35Å; Y45-Y256 AromaticContact CZ-CE2 3.93Å; Y45-Y256 PolarHBondContact OH-OH 2.81Å
46	Y	90	Very high	64.3	Low	4 Å²	4	59 Å²	59	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.5	174.5	-58.8	-99.7	0	0	0	110.8	F112 C115 H118 K120 C204 R205 M206	Y46-F112 AromaticContact CD1-CD1 3.49Å; Y46-F112 HydrophobicContact CD1-CD1 3.49Å; Y46-F112 VanDerWaalsContact CD1-CD1 3.49Å; Y46-F112 AromaticContact CD1-CE1 3.79Å; Y46-F112 HydrophobicContact CD1-CE1 3.79Å; Y46-F112 HydrophobicContact CE1-CD1 4.33Å; Y46-F112 HydrophobicContact CE1-CE1 4.33Å; Y46-F112 AromaticContact CG-CD1 3.91Å; Y46-F112 HydrophobicContact CG-CD1 3.91Å; Y46-C115 HydrophobicContact CE1-CB 4.14Å; Y46-C115 PolarHBondContact OH-N 3.35Å; Y46-C115 VanDerWaalsContact OH-N 3.14Å; Y46-H118 PolarHBondContact OH-ND1 2.67Å; Y46-K120 HydrophobicContact CD1-CB 4.44Å; Y46-K120 HydrophobicContact CD1-CD 3.81Å; Y46-K120 HydrophobicContact CE1-CB 4.21Å; Y46-K120 HydrophobicContact CE1-CD 3.97Å; Y46-C204 PolarHBondContact N-O 2.93Å; Y46-R205 VanDerWaalsContact CD2-CZ 3.49Å; Y46-R205 WeakPolarHBondContact O-CA 3.27Å; Y46-M206 PolarHBondContact O-N 2.88Å
47	H	91.7	Very high	65.3	Low	6 Å²	6	59.9 Å²	59.9	3%	0.028	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.9	170.1	-72.1	100.7	0	0	0	109.8	R132 M206 D211 Y256 E274	H47-R132 VanDerWaalsContact O-CD 3.31Å; H47-R132 WeakPolarHBondContact O-CD 3.38Å; H47-M206 WeakPolarHBondContact CA-O 3.4Å; H47-M206 WeakPolarHBondContact CE1-CE 3.49Å; H47-M206 WeakPolarHBondContact NE2-CE 3.33Å; H47-D211 IonicContact NE2-OD1 3.01Å; H47-Y256 AromaticContact CE1-CE1 3.49Å; H47-Y256 VanDerWaalsContact CE1-CE1 3.49Å; H47-Y256 WeakPolarHBondContact CE1-CE1 3.48Å; H47-Y256 AromaticContact CE1-CZ 3.97Å; H47-Y256 AromaticContact NE2-CD1 3.87Å; H47-Y256 AromaticContact NE2-CE1 3.79Å; H47-E274 IonicContact CE1-OE1 2.78Å; H47-E274 IonicContact CE1-OE2 2.99Å; H47-E274 IonicContact ND1-OE1 3.23Å; H47-E274 PolarHBondContact ND1-OE1 2.57Å
48	S	91.3	Very high	67.1	Low	3 Å²	3	68.2 Å²	68.2	2%	0.021	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-59.8	152.7	173.1	-62.1	0	0	0	0	112.3	Y110 R132 M206 G208 I214	S48-Y110 VanDerWaalsContact CB-O 3.3Å; S48-Y110 WeakPolarHBondContact CB-O 3.26Å; S48-Y110 PolarHBondContact OG-O 3.44Å; S48-R132 PolarHBondContact O-NH1 2.81Å; S48-M206 PolarHBondContact N-O 3.34Å; S48-G208 WeakPolarHBondContact O-CA 2.92Å; S48-I214 WeakPolarHBondContact OG-CD1 3.3Å
49	N	90.1	Very high	69	Low	13 Å²	13	68.4 Å²	68.4	7%	0.07	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-70.8	147.4	163.7	-86.6	-47.3	0	0	0	110.1	R132 Y158	N49-R132 PolarHBondContact ND2-O 2.01Å; N49-R132 WeakPolarHBondContact OD1-CB 2.98Å; N49-R132 PolarHBondContact OD1-N 2.86Å; N49-Y158 HydrophobicContact CB-CE2 4.28Å; N49-Y158 WeakPolarHBondContact ND2-CD2 3.28Å; N49-Y158 VanDerWaalsContact ND2-CE2 3.33Å; N49-Y158 WeakPolarHBondContact ND2-CE2 3Å; N49-Y158 VanDerWaalsContact ND2-CG 3.28Å
50	V	82.2	Confident	71.1	Confident	38 Å²	38	71.4 Å²	71.4	23%	0.23	36%	0.363	C	S	.	.			trans	-110.2	118.7	175.2	-172.7	0	0	0	0	107.3	E52 G208 L209	V50-E52 WeakPolarHBondContact CG1-O 3.14Å; V50-G208 WeakPolarHBondContact CG2-O 3.43Å; V50-L209 HydrophobicContact CG1-CB 4.47Å; V50-L209 HydrophobicContact CG2-CB 4Å
51	H	67.3	Low	73.5	Confident	98 Å²	98	72.6 Å²	72.6	45%	0.454	37%	0.37	S	S	.	.			trans	-90.7	2.9	-173.8	-63.8	-67.4	0	0	0	113.8	D155 Y158 R171	H51-D155 IonicContact NE2-OD2 3.19Å; H51-D155 PolarHBondContact NE2-OD2 3.45Å; H51-Y158 AromaticContact CE1-CZ 3.77Å; H51-Y158 PolarHBondContact CE1-OH 3.34Å; H51-Y158 PolarHBondContact NE2-OH 3.3Å; H51-Y158 VanDerWaalsContact NE2-OH 3.11Å; H51-R171 PolarHBondContact CD2-NH2 3Å; H51-R171 PolarHBondContact CE1-NH2 3.26Å; H51-R171 VanDerWaalsContact CE1-NH2 3.32Å; H51-R171 PolarHBondContact NE2-NH2 2.85Å
52	E	62.3	Low	75.9	Confident	96 Å²	96	71.8 Å²	71.8	45%	0.449	36%	0.361	S	S	.	.	S	Bend	trans	-136.7	153.3	-178.3	-77.3	179.4	-177	0	0	112.4	V50 N107	V50-E52 WeakPolarHBondContact CG1-O 3.14Å; E52-N107 PolarHBondContact OE1-ND2 3.25Å; E52-N107 PolarHBondContact OE2-ND2 3.12Å
53	S	56.1	Low	78.3	Confident	100 Å²	100	75.6 Å²	75.6	70%	0.699	37%	0.369	S	S	*	.			trans	-64.7	140.8	167.7	56.9	0	0	0	0	110.9	N55	S53-N55 PolarHBondContact O-N 3.32Å
54	I	58	Low	80.3	Confident	108 Å²	108	73 Å²	73	55%	0.554	36%	0.359	S	S	*	.			trans	-55.4	108.9	175	-51	-176.2	0	0	0	109.2	K56 K104 L209	I54-K56 PolarHBondContact O-N 2.94Å; I54-K104 HydrophobicContact CG2-CD 4.32Å; I54-L209 HydrophobicContact CB-CD1 4.45Å; I54-L209 HydrophobicContact CD1-CD1 3.94Å; I54-L209 HydrophobicContact CG1-CD1 3.63Å; I54-L209 HydrophobicContact CG2-CD1 4.38Å
55	N	55.5	Low	81.6	Confident	100 Å²	100	74.8 Å²	74.8	54%	0.535	37%	0.366	S	S	.	.			trans	-62.6	119.9	164.8	-86.7	-25.5	0	0	0	108	S53 G57	S53-N55 PolarHBondContact O-N 3.32Å; N55-G57 PolarHBondContact O-N 3.15Å
56	K	62.3	Low	82.3	Confident	215 Å²	215	74.3 Å²	74.3	94%	0.935	36%	0.364	S	S	*	.			trans	-69.4	29.9	172.6	-68.9	-175	177.5	178.4	0	112.6	I54	I54-K56 PolarHBondContact O-N 2.94Å
57	G	69.5	Low	82.7	Confident	42 Å²	42	75.8 Å²	75.8	43%	0.433	37%	0.372	S	S	.	.	S	Bend	trans	-95.9	-176.1	-173.4	0	0	0	0	0	114.8	N55	N55-G57 PolarHBondContact O-N 3.15Å
58	H	84.3	Confident	83	Confident	178 Å²	178	77.5 Å²	77.5	82%	0.824	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-62.3	151.8	176.3	-64.6	-77.4	0	0	0	112.8
59	F	89.2	Confident	83.3	Confident	58 Å²	58	80.4 Å²	80.4	25%	0.254	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-72.7	127.5	171.9	-71.1	-77	0	0	0	111	I61 K102 M103 K104	F59-I61 HydrophobicContact CB-CG1 4.48Å; F59-K102 HydrophobicContact CD1-CB 3.99Å; F59-K102 HydrophobicContact CG-CB 4.43Å; F59-M103 CarbonylContact C-O 3.58Å; F59-K104 HydrophobicContact CD1-CG 3.89Å; F59-K104 HydrophobicContact CE1-CD 4.32Å; F59-K104 HydrophobicContact CE1-CG 3.81Å; F59-K104 VanDerWaalsContact CZ-CE 3.49Å
60	F	92	Very high	83.7	Confident	77 Å²	77	81.2 Å²	81.2	34%	0.338	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134	158.7	-58.5	-67.9	0	0	0	109.3	K102 M103 K106 F177	F60-K102 WeakPolarHBondContact O-CA 3.38Å; F60-M103 PolarHBondContact N-O 2.92Å; F60-M103 PolarHBondContact O-N 3.45Å; F60-K106 HydrophobicContact CB-CG 4.46Å; F60-K106 HydrophobicContact CD1-CD 4.23Å; F60-K106 HydrophobicContact CD1-CG 4.15Å; F60-K106 HydrophobicContact CD2-CG 3.78Å; F60-K106 HydrophobicContact CE1-CD 4.15Å; F60-K106 HydrophobicContact CE1-CG 4.32Å; F60-K106 HydrophobicContact CE2-CG 3.97Å; F60-K106 HydrophobicContact CG-CD 4.43Å; F60-K106 HydrophobicContact CG-CG 3.84Å; F60-K106 HydrophobicContact CZ-CD 4.3Å; F60-K106 HydrophobicContact CZ-CG 4.22Å; F60-F177 HydrophobicContact CB-CZ 4.16Å
61	I	95.5	Very high	84.3	Confident	75 Å²	75	80.2 Å²	80.2	39%	0.385	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.8	-178.7	-57.4	176.4	0	0	0	108.6	F59 K100 V101 K102 Q382	F59-I61 HydrophobicContact CB-CG1 4.48Å; I61-K100 HydrophobicContact CG2-CB 3.62Å; I61-K100 HydrophobicContact CG2-CD 3.77Å; I61-K100 HydrophobicContact CG2-CG 4.35Å; I61-V101 WeakPolarHBondContact CA-O 3.23Å; I61-K102 HydrophobicContact CG1-CG 4.41Å; I61-Q382 HydrophobicContact CG2-CB 4.36Å
62	K	97.3	Very high	85.6	Confident	92 Å²	92	81.2 Å²	81.2	40%	0.4	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.7	176.8	-173.5	171	179	-178.3	0	110.8	L64 K100 V101 F177 N178	K62-L64 PolarHBondContact O-N 3.21Å; K62-K100 CarbonylContact O-C 3.42Å; K62-K100 WeakPolarHBondContact O-CA 3.22Å; K62-V101 PolarHBondContact N-O 3Å; K62-V101 PolarHBondContact O-N 3.46Å; K62-F177 HydrophobicContact CB-CE1 4.41Å; K62-F177 HydrophobicContact CB-CE2 4.01Å; K62-F177 HydrophobicContact CB-CZ 3.52Å; K62-F177 HydrophobicContact CD-CE1 4.31Å; K62-F177 HydrophobicContact CD-CZ 4.21Å; K62-N178 HydrophobicContact CB-CB 3.96Å; K62-N178 HydrophobicContact CD-CB 4.29Å; K62-N178 HydrophobicContact CG-CB 4.14Å
63	R	98.4	Very high	87	Confident	162 Å²	162	78.4 Å²	78.4	61%	0.611	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-48.6	134.3	178.2	-171.8	180	-76.2	-175.3	-2.4	110.9	K65 E96 N178	R63-K65 PolarHBondContact O-N 3.08Å; R63-E96 VanDerWaalsContact CD-O 3.28Å; R63-E96 WeakPolarHBondContact CD-O 3.4Å; R63-E96 WeakPolarHBondContact CG-O 3.37Å; R63-N178 PolarHBondContact O-ND2 3.09Å
64	L	98.7	Very high	88.7	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	36%	0.359	C	S	.	.			trans	-54	136.5	172.9	173.6	66.2	0	0	0	109.5	K62 V66 E96 L99 V101 L180 L247	K62-L64 PolarHBondContact O-N 3.21Å; L64-V66 HydrophobicContact CD2-CG2 4.08Å; L64-V66 HydrophobicContact CG-CG2 4.15Å; L64-E96 WeakPolarHBondContact O-CG 3.06Å; L64-L99 HydrophobicContact CB-CB 4.16Å; L64-L99 WeakPolarHBondContact CB-O 3.35Å; L64-L99 HydrophobicContact CD2-CB 4.1Å; L64-L99 HydrophobicContact CD2-CD1 4.15Å; L64-L99 PolarHBondContact N-O 2.79Å; L64-V101 HydrophobicContact CB-CG2 4.37Å; L64-V101 HydrophobicContact CD1-CG2 3.95Å; L64-L180 HydrophobicContact CD1-CB 4.14Å; L64-L247 HydrophobicContact CD1-CD2 4.41Å; L64-L247 HydrophobicContact CD2-CD1 4.47Å; L64-L247 HydrophobicContact CD2-CD2 3.64Å
65	K	98.6	Very high	90.4	Very high	91 Å²	91	73.6 Å²	73.6	40%	0.396	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.3	169.9	-174.1	74.8	-152	138.1	0	109.5	R63 E96 N178 H179 L180	R63-K65 PolarHBondContact O-N 3.08Å; K65-E96 VanDerWaalsContact CA-OE1 3.3Å; K65-E96 WeakPolarHBondContact CA-OE1 3.02Å; K65-E96 WeakPolarHBondContact CD-OE1 3.02Å; K65-E96 WeakPolarHBondContact CE-OE1 3.13Å; K65-E96 IonicContact NZ-OE1 3.87Å; K65-E96 PolarHBondContact NZ-OE1 2.98Å; K65-E96 IonicContact NZ-OE2 3.51Å; K65-E96 PolarHBondContact NZ-OE2 3.27Å; K65-N178 PolarHBondContact N-O 3.29Å; K65-H179 CarbonylContact O-C 3.49Å; K65-H179 VanDerWaalsContact O-CA 3.22Å; K65-H179 WeakPolarHBondContact O-CA 3.18Å; K65-L180 PolarHBondContact O-N 3.07Å
66	V	98.8	Very high	92.2	Very high	2 Å²	2	77.6 Å²	77.6	1%	0.012	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.3	173.2	-172	0	0	0	0	108.4	L64 P68 I92 E96 L180 Y182 L243	L64-V66 HydrophobicContact CD2-CG2 4.08Å; L64-V66 HydrophobicContact CG-CG2 4.15Å; V66-P68 WeakPolarHBondContact O-CD 3.33Å; V66-I92 HydrophobicContact CB-CG1 4.34Å; V66-I92 HydrophobicContact CB-CG2 3.72Å; V66-I92 HydrophobicContact CG1-CD1 4.11Å; V66-I92 HydrophobicContact CG1-CG1 4.09Å; V66-I92 HydrophobicContact CG1-CG2 4.39Å; V66-I92 HydrophobicContact CG2-CG2 4.11Å; V66-E96 HydrophobicContact CG2-CG 4.14Å; V66-E96 PolarHBondContact N-OE1 3.47Å; V66-L180 HydrophobicContact CG1-CD2 4.34Å; V66-L180 HydrophobicContact CG2-CD2 4.22Å; V66-Y182 HydrophobicContact CG1-CD1 3.86Å; V66-Y182 HydrophobicContact CG1-CG 4.12Å; V66-L243 HydrophobicContact CG2-CD2 4.39Å
67	I	98.4	Very high	93.5	Very high	35 Å²	35	69 Å²	69	18%	0.179	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	100.6	176.3	-60.2	177.9	0	0	0	107.1	M175 H179 L180 Y182	I67-M175 HydrophobicContact CD1-SD 4.5Å; I67-H179 HydrophobicContact CD1-CB 4.08Å; I67-H179 VanDerWaalsContact CD1-ND1 3.32Å; I67-H179 WeakPolarHBondContact CD1-ND1 3.38Å; I67-L180 PolarHBondContact N-O 2.88Å; I67-Y182 PolarHBondContact O-N 2.78Å
68	P	98	Very high	94.4	Very high	43 Å²	43	74 Å²	74	28%	0.279	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.2	175.2	28.9	-33.1	0	0	0	110.2	V66 Y70 I92 Y182 I184	V66-P68 WeakPolarHBondContact O-CD 3.33Å; P68-Y70 HydrophobicContact CB-CE1 4.23Å; P68-Y70 HydrophobicContact CB-CE2 4.08Å; P68-Y70 HydrophobicContact CG-CE2 4.25Å; P68-I92 HydrophobicContact CB-CD1 4.01Å; P68-I92 HydrophobicContact CG-CD1 4.14Å; P68-Y182 CarbonylContact C-O 3.58Å; P68-Y182 WeakPolarHBondContact CA-O 3.4Å; P68-I184 HydrophobicContact CB-CD1 3.85Å
69	H	97.9	Very high	94.6	Very high	64 Å²	64	69 Å²	69	30%	0.296	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.5	169	-179.9	60.3	0	0	0	108.3	L181 Y182 I183 I184	H69-L181 HydrophobicContact CB-CD1 3.99Å; H69-Y182 PolarHBondContact N-O 2.79Å; H69-I183 HydrophobicContact CB-CG1 4.32Å; H69-I183 CarbonylContact O-C 3.53Å; H69-I183 WeakPolarHBondContact O-CA 3.37Å; H69-I184 PolarHBondContact O-N 3.09Å
70	Y	97	Very high	94.8	Very high	29 Å²	29	67.8 Å²	67.8	11%	0.114	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.2	-178.8	-54.6	-73.7	0	0	0	109.5	P68 I74 F80 R84 I88 I184	P68-Y70 HydrophobicContact CB-CE1 4.23Å; P68-Y70 HydrophobicContact CB-CE2 4.08Å; P68-Y70 HydrophobicContact CG-CE2 4.25Å; Y70-I74 HydrophobicContact CD1-CG2 4.3Å; Y70-F80 AromaticContact CD1-CE2 3.81Å; Y70-F80 HydrophobicContact CD1-CE2 3.81Å; Y70-F80 HydrophobicContact CD1-CZ 4.16Å; Y70-F80 HydrophobicContact CD2-CZ 4.08Å; Y70-F80 HydrophobicContact CE1-CE2 4.38Å; Y70-F80 AromaticContact CG-CE2 3.91Å; Y70-F80 HydrophobicContact CG-CE2 3.91Å; Y70-F80 AromaticContact CG-CZ 3.85Å; Y70-F80 HydrophobicContact CG-CZ 3.85Å; Y70-R84 HydrophobicContact CE1-CG 4.48Å; Y70-I88 HydrophobicContact CD1-CD1 4.3Å; Y70-I88 HydrophobicContact CE1-CD1 3.71Å; Y70-I88 HydrophobicContact CE1-CG2 4.1Å; Y70-I184 HydrophobicContact CD1-CB 4.35Å; Y70-I184 HydrophobicContact CD1-CD1 4.36Å; Y70-I184 HydrophobicContact CE1-CD1 3.94Å
71	T	95.5	Very high	94.9	Very high	18 Å²	18	69.3 Å²	69.3	11%	0.11	32%	0.322	C	S	.	.			trans	-69.6	163.8	171.2	67.1	0	0	0	0	110.7	A73 I74 Q75 I183 I184 D185	T71-A73 PolarHBondContact O-N 3.05Å; T71-I74 VanDerWaalsContact O-CG2 3.28Å; T71-I74 WeakPolarHBondContact O-CG2 3.46Å; T71-I74 PolarHBondContact O-N 2.68Å; T71-I74 PolarHBondContact OG1-N 3.43Å; T71-Q75 VanDerWaalsContact O-CG 3.28Å; T71-Q75 WeakPolarHBondContact O-CG 3.04Å; T71-Q75 PolarHBondContact O-N 3.4Å; T71-Q75 VanDerWaalsContact O-N 3.15Å; T71-Q75 PolarHBondContact O-OE1 2.71Å; T71-I183 HydrophobicContact CG2-CG2 3.93Å; T71-I184 PolarHBondContact N-O 2.93Å; T71-I184 PolarHBondContact OG1-O 3.35Å; T71-D185 WeakPolarHBondContact CB-OD1 3.33Å; T71-D185 HydrophobicContact CG2-CB 3.82Å; T71-D185 WeakPolarHBondContact OG1-CA 3.25Å; T71-D185 VanDerWaalsContact OG1-CG 3.3Å; T71-D185 PolarHBondContact OG1-OD1 3.15Å
72	E	94.2	Very high	94.7	Very high	118 Å²	118	68.5 Å²	68.5	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-60.5	-35.4	175.5	-173.3	174.1	-161.9	0	0	112.4	I74 Q75 R76	E72-I74 PolarHBondContact O-N 2.92Å; E72-Q75 PolarHBondContact O-N 2.74Å; E72-R76 HydrophobicContact CG-CG 4.32Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.31Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-CZ 2.72Å; E72-R76 VanDerWaalsContact OE1-CZ 3.23Å; E72-R76 IonicContact OE1-NE 3.68Å; E72-R76 PolarHBondContact OE1-NE 3.29Å; E72-R76 IonicContact OE1-NH2 3.61Å; E72-R76 PolarHBondContact OE1-NH2 2.89Å; E72-R76 IonicContact OE2-NH2 3.44Å
73	A	91.8	Very high	94.4	Very high	38 Å²	38	64.2 Å²	64.2	31%	0.314	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-45.5	-178.9	0	0	0	0	0	112.3	T71 R76 D185 Q187	T71-A73 PolarHBondContact O-N 3.05Å; A73-R76 PolarHBondContact O-N 2.59Å; A73-D185 WeakPolarHBondContact CB-OD1 3.31Å; A73-Q187 HydrophobicContact CB-CG 3.98Å
74	I	92	Very high	94.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-71	-33.5	176	-166.1	168.2	0	0	0	112	Y70 T71 E72 R76 H77 F80 I83 I88 I184 L220	Y70-I74 HydrophobicContact CD1-CG2 4.3Å; T71-I74 VanDerWaalsContact O-CG2 3.28Å; T71-I74 WeakPolarHBondContact O-CG2 3.46Å; T71-I74 PolarHBondContact O-N 2.68Å; T71-I74 PolarHBondContact OG1-N 3.43Å; E72-I74 PolarHBondContact O-N 2.92Å; I74-R76 VanDerWaalsContact C-N 3.25Å; I74-R76 PolarHBondContact O-N 2.76Å; I74-H77 VanDerWaalsContact O-CB 3.25Å; I74-H77 WeakPolarHBondContact O-CB 3.46Å; I74-H77 PolarHBondContact O-N 3.45Å; I74-H77 VanDerWaalsContact O-N 3.14Å; I74-F80 HydrophobicContact CG1-CD2 4.16Å; I74-F80 HydrophobicContact CG1-CE2 4.44Å; I74-F80 HydrophobicContact CG2-CE2 4.31Å; I74-F80 WeakPolarHBondContact O-CD2 3.49Å; I74-I83 HydrophobicContact CD1-CG2 4.43Å; I74-I88 HydrophobicContact CD1-CD1 3.91Å; I74-I184 HydrophobicContact CD1-CG2 3.72Å; I74-I184 WeakPolarHBondContact CG2-O 3.46Å; I74-L220 HydrophobicContact CD1-CD1 4.25Å
75	Q	94.7	Very high	94.1	Very high	106 Å²	106	62.9 Å²	62.9	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-30	176.8	-71.1	179	-69.2	0	0	112.7	T71 E72 H77 F80	T71-Q75 VanDerWaalsContact O-CG 3.28Å; T71-Q75 WeakPolarHBondContact O-CG 3.04Å; T71-Q75 PolarHBondContact O-N 3.4Å; T71-Q75 VanDerWaalsContact O-N 3.15Å; T71-Q75 PolarHBondContact O-OE1 2.71Å; E72-Q75 PolarHBondContact O-N 2.74Å; Q75-H77 VanDerWaalsContact C-N 3.29Å; Q75-H77 PolarHBondContact O-N 3.48Å; Q75-F80 HydrophobicContact CG-CE1 4.22Å; Q75-F80 HydrophobicContact CG-CE2 4.11Å; Q75-F80 HydrophobicContact CG-CZ 3.87Å
76	R	93.2	Very high	93.9	Very high	183 Å²	183	64 Å²	64	69%	0.691	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.8	175.7	-70.8	174.6	-179.7	-171.7	2.1	113.8	E72 A73 I74	E72-R76 HydrophobicContact CG-CG 4.32Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.31Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-CZ 2.72Å; E72-R76 VanDerWaalsContact OE1-CZ 3.23Å; E72-R76 IonicContact OE1-NE 3.68Å; E72-R76 PolarHBondContact OE1-NE 3.29Å; E72-R76 IonicContact OE1-NH2 3.61Å; E72-R76 PolarHBondContact OE1-NH2 2.89Å; E72-R76 IonicContact OE2-NH2 3.44Å; A73-R76 PolarHBondContact O-N 2.59Å; I74-R76 VanDerWaalsContact C-N 3.25Å; I74-R76 PolarHBondContact O-N 2.76Å
77	H	88.4	Confident	93.6	Very high	34 Å²	34	64.1 Å²	64.1	16%	0.157	31%	0.305	C	S	.	.	S	Bend	trans	-66.7	133.4	177.9	-166.4	-81.2	0	0	0	111	I74 Q75 H79 F80 I83	I74-H77 VanDerWaalsContact O-CB 3.25Å; I74-H77 WeakPolarHBondContact O-CB 3.46Å; I74-H77 PolarHBondContact O-N 3.45Å; I74-H77 VanDerWaalsContact O-N 3.14Å; Q75-H77 VanDerWaalsContact C-N 3.29Å; Q75-H77 PolarHBondContact O-N 3.48Å; H77-H79 PolarHBondContact ND1-N 2.78Å; H77-H79 VanDerWaalsContact ND1-N 3.19Å; H77-H79 PolarHBondContact O-N 2.79Å; H77-F80 VanDerWaalsContact O-CB 3.24Å; H77-F80 WeakPolarHBondContact O-CB 3.36Å; H77-F80 PolarHBondContact O-N 2.98Å; H77-I83 HydrophobicContact CB-CD1 4.49Å; H77-I83 VanDerWaalsContact ND1-CD1 3.3Å; H77-I83 WeakPolarHBondContact ND1-CD1 3.47Å
78	I	88.7	Confident	93.4	Very high	149 Å²	149	62.5 Å²	62.5	76%	0.764	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.6	-175.5	-169.7	169.9	0	0	0	113.5
79	H	88.7	Confident	93.4	Very high	73 Å²	73	63 Å²	63	34%	0.338	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	20.5	177.1	-58.1	-48.9	0	0	0	114.2	H77 Q81 L82 I83 V227	H77-H79 PolarHBondContact ND1-N 2.78Å; H77-H79 VanDerWaalsContact ND1-N 3.19Å; H77-H79 PolarHBondContact O-N 2.79Å; H79-Q81 VanDerWaalsContact C-N 3.33Å; H79-Q81 PolarHBondContact O-N 3.31Å; H79-L82 HydrophobicContact CB-CB 4.43Å; H79-L82 WeakPolarHBondContact O-CB 3.16Å; H79-L82 PolarHBondContact O-N 3.11Å; H79-I83 HydrophobicContact CB-CD1 4.29Å; H79-I83 HydrophobicContact CB-CG1 4.43Å; H79-I83 WeakPolarHBondContact O-CG1 3.39Å; H79-I83 PolarHBondContact O-N 3.03Å; H79-V227 HydrophobicContact CB-CG1 4.22Å
80	F	92.3	Very high	93.4	Very high	31 Å²	31	61.8 Å²	61.8	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-49.6	-48.4	-173.5	171.5	-114.7	0	0	0	113.6	Y70 I74 Q75 H77 L82 I83 R84	Y70-F80 AromaticContact CD1-CE2 3.81Å; Y70-F80 HydrophobicContact CD1-CE2 3.81Å; Y70-F80 HydrophobicContact CD1-CZ 4.16Å; Y70-F80 HydrophobicContact CD2-CZ 4.08Å; Y70-F80 HydrophobicContact CE1-CE2 4.38Å; Y70-F80 AromaticContact CG-CE2 3.91Å; Y70-F80 HydrophobicContact CG-CE2 3.91Å; Y70-F80 AromaticContact CG-CZ 3.85Å; Y70-F80 HydrophobicContact CG-CZ 3.85Å; I74-F80 HydrophobicContact CG1-CD2 4.16Å; I74-F80 HydrophobicContact CG1-CE2 4.44Å; I74-F80 HydrophobicContact CG2-CE2 4.31Å; I74-F80 WeakPolarHBondContact O-CD2 3.49Å; Q75-F80 HydrophobicContact CG-CE1 4.22Å; Q75-F80 HydrophobicContact CG-CE2 4.11Å; Q75-F80 HydrophobicContact CG-CZ 3.87Å; H77-F80 VanDerWaalsContact O-CB 3.24Å; H77-F80 WeakPolarHBondContact O-CB 3.36Å; H77-F80 PolarHBondContact O-N 2.98Å; F80-L82 VanDerWaalsContact C-N 3.3Å; F80-L82 PolarHBondContact O-N 3.27Å; F80-I83 PolarHBondContact O-N 2.84Å; F80-R84 HydrophobicContact CE2-CB 4.47Å; F80-R84 VanDerWaalsContact O-CB 3.29Å; F80-R84 WeakPolarHBondContact O-CB 3.39Å; F80-R84 PolarHBondContact O-N 2.95Å
81	Q	94.4	Very high	93.4	Very high	109 Å²	109	60.4 Å²	60.4	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-35	-177.6	-173.2	60.2	15.7	0	0	112.4	H79 T85	H79-Q81 VanDerWaalsContact C-N 3.33Å; H79-Q81 PolarHBondContact O-N 3.31Å; Q81-T85 WeakPolarHBondContact O-CB 3.4Å; Q81-T85 WeakPolarHBondContact O-CG2 3.31Å; Q81-T85 PolarHBondContact O-N 3.07Å; Q81-T85 PolarHBondContact O-OG1 3.47Å
82	L	91.5	Very high	93.5	Very high	58 Å²	58	60 Å²	60	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-48.4	174.4	-172.6	74.2	0	0	0	110.5	H79 F80 R84 T85 K86 V227 I232	H79-L82 HydrophobicContact CB-CB 4.43Å; H79-L82 WeakPolarHBondContact O-CB 3.16Å; H79-L82 PolarHBondContact O-N 3.11Å; F80-L82 VanDerWaalsContact C-N 3.3Å; F80-L82 PolarHBondContact O-N 3.27Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 2.82Å; L82-T85 PolarHBondContact O-N 2.97Å; L82-T85 PolarHBondContact O-OG1 3.04Å; L82-K86 HydrophobicContact CD1-CG 3.64Å; L82-K86 HydrophobicContact CG-CG 4.23Å; L82-K86 VanDerWaalsContact O-CB 3.26Å; L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 PolarHBondContact O-N 3.26Å; L82-V227 HydrophobicContact CD2-CB 3.71Å; L82-V227 HydrophobicContact CD2-CG1 3.56Å; L82-I232 HydrophobicContact CD2-CD1 4.18Å; L82-I232 HydrophobicContact CG-CD1 4.48Å
83	I	91.1	Very high	93.7	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-56.2	-48.4	176.9	-68.7	165	0	0	0	110.2	I74 H77 H79 F80 T85 I87 I88 L220 I225	I74-I83 HydrophobicContact CD1-CG2 4.43Å; H77-I83 HydrophobicContact CB-CD1 4.49Å; H77-I83 VanDerWaalsContact ND1-CD1 3.3Å; H77-I83 WeakPolarHBondContact ND1-CD1 3.47Å; H79-I83 HydrophobicContact CB-CD1 4.29Å; H79-I83 HydrophobicContact CB-CG1 4.43Å; H79-I83 WeakPolarHBondContact O-CG1 3.39Å; H79-I83 PolarHBondContact O-N 3.03Å; F80-I83 PolarHBondContact O-N 2.84Å; I83-T85 PolarHBondContact O-N 3.27Å; I83-I87 HydrophobicContact CG1-CD1 4.31Å; I83-I87 WeakPolarHBondContact O-CA 3.35Å; I83-I87 VanDerWaalsContact O-CB 3.26Å; I83-I87 WeakPolarHBondContact O-CB 3.15Å; I83-I87 PolarHBondContact O-N 3.49Å; I83-I88 HydrophobicContact CG2-CD1 3.8Å; I83-I88 HydrophobicContact CG2-CG1 4.09Å; I83-I88 PolarHBondContact O-N 3.5Å; I83-L220 HydrophobicContact CG2-CD1 4.26Å; I83-I225 HydrophobicContact CD1-CD1 3.94Å; I83-I225 HydrophobicContact CD1-CG2 4.14Å; I83-I225 HydrophobicContact CG1-CG2 4.07Å
84	R	94.5	Very high	94	Very high	88 Å²	88	61.1 Å²	61.1	33%	0.332	28%	0.282	S	S	.	.	I	π-helix	trans	-56.4	-54.5	177.8	172.9	175.9	167	-169.1	-0.8	111.8	Y70 F80 L82 E89	Y70-R84 HydrophobicContact CE1-CG 4.48Å; F80-R84 HydrophobicContact CE2-CB 4.47Å; F80-R84 VanDerWaalsContact O-CB 3.29Å; F80-R84 WeakPolarHBondContact O-CB 3.39Å; F80-R84 PolarHBondContact O-N 2.95Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 2.82Å; R84-E89 HydrophobicContact CG-CG 4.38Å; R84-E89 IonicContact CZ-OE1 3.99Å; R84-E89 IonicContact NE-OE1 3.21Å; R84-E89 PolarHBondContact NE-OE1 3.14Å; R84-E89 IonicContact NH2-OE1 3.9Å; R84-E89 PolarHBondContact NH2-OE1 3.04Å; R84-E89 WeakPolarHBondContact O-CB 3.38Å; R84-E89 WeakPolarHBondContact O-CG 3.4Å; R84-E89 PolarHBondContact O-N 2.9Å
85	T	96.4	Very high	94.3	Very high	49 Å²	49	61.1 Å²	61.1	30%	0.301	28%	0.282	S	S	.	.	I	π-helix	trans	-82.3	-27.2	-168.9	56	0	0	0	0	114.1	Q81 L82 I83 P90	Q81-T85 WeakPolarHBondContact O-CB 3.4Å; Q81-T85 WeakPolarHBondContact O-CG2 3.31Å; Q81-T85 PolarHBondContact O-N 3.07Å; Q81-T85 PolarHBondContact O-OG1 3.47Å; L82-T85 PolarHBondContact O-N 2.97Å; L82-T85 PolarHBondContact O-OG1 3.04Å; I83-T85 PolarHBondContact O-N 3.27Å; T85-P90 WeakPolarHBondContact O-CD 3.09Å
86	K	93.6	Very high	94.5	Very high	115 Å²	115	57.2 Å²	57.2	50%	0.5	26%	0.264	S	S	.	.	I	π-helix	trans	-104.9	-22.9	-175.7	-60.9	-64.1	-172.6	170.8	0	114.3	L82 P90 I232 T236	L82-K86 HydrophobicContact CD1-CG 3.64Å; L82-K86 HydrophobicContact CG-CG 4.23Å; L82-K86 VanDerWaalsContact O-CB 3.26Å; L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 PolarHBondContact O-N 3.26Å; K86-P90 WeakPolarHBondContact O-CG 3.28Å; K86-I232 HydrophobicContact CB-CG2 3.87Å; K86-T236 PolarHBondContact O-OG1 3.25Å; K86-T236 VanDerWaalsContact O-OG1 3.11Å
87	I	92.4	Very high	94.8	Very high	4 Å²	4	51 Å²	51	2%	0.021	25%	0.252	C	S	.	.	I	π-helix	trans	-112.4	-59.7	-177.3	-64.3	166.1	0	0	0	110.4	I83 A91 I225 I232 A235 M239	I83-I87 HydrophobicContact CG1-CD1 4.31Å; I83-I87 WeakPolarHBondContact O-CA 3.35Å; I83-I87 VanDerWaalsContact O-CB 3.26Å; I83-I87 WeakPolarHBondContact O-CB 3.15Å; I83-I87 PolarHBondContact O-N 3.49Å; I87-A91 VanDerWaalsContact O-CB 3.3Å; I87-A91 WeakPolarHBondContact O-CB 3.42Å; I87-A91 PolarHBondContact O-N 3.34Å; I87-A91 VanDerWaalsContact O-N 3.16Å; I87-I225 HydrophobicContact CD1-CG2 4.25Å; I87-I232 HydrophobicContact CG1-CG2 4.18Å; I87-A235 HydrophobicContact CD1-CB 3.6Å; I87-A235 HydrophobicContact CG1-CB 3.98Å; I87-A235 HydrophobicContact CG2-CB 4.07Å; I87-A235 WeakPolarHBondContact CG2-O 3.23Å; I87-M239 HydrophobicContact CG2-CB 3.95Å; I87-M239 HydrophobicContact CG2-CG 4.43Å
88	I	94.8	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-71.5	-54.2	-169.7	-61.5	175.8	0	0	0	112	Y70 I74 I83 A91 I92 I184 L220 M239	Y70-I88 HydrophobicContact CD1-CD1 4.3Å; Y70-I88 HydrophobicContact CE1-CD1 3.71Å; Y70-I88 HydrophobicContact CE1-CG2 4.1Å; I74-I88 HydrophobicContact CD1-CD1 3.91Å; I83-I88 HydrophobicContact CG2-CD1 3.8Å; I83-I88 HydrophobicContact CG2-CG1 4.09Å; I83-I88 PolarHBondContact O-N 3.5Å; I88-A91 PolarHBondContact O-N 2.9Å; I88-I92 HydrophobicContact CG2-CD1 3.87Å; I88-I92 WeakPolarHBondContact O-CG1 3.2Å; I88-I92 PolarHBondContact O-N 2.83Å; I88-I184 HydrophobicContact CD1-CD1 4.26Å; I88-I184 HydrophobicContact CD1-CG2 3.92Å; I88-I184 HydrophobicContact CG2-CD1 3.42Å; I88-I184 VanDerWaalsContact CG2-CD1 3.42Å; I88-L220 HydrophobicContact CD1-CD1 4.41Å; I88-L220 HydrophobicContact CG1-CD1 4.44Å; I88-M239 HydrophobicContact CB-CE 4.41Å; I88-M239 HydrophobicContact CG1-CE 4Å; I88-M239 HydrophobicContact CG1-CG 4.45Å; I88-M239 HydrophobicContact CG2-CE 3.96Å
89	E	98	Very high	95.8	Very high	53 Å²	53	42.9 Å²	42.9	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-40.9	-177.5	-71.9	175.7	-175.3	0	0	112.5	R84 I92 K93	R84-E89 HydrophobicContact CG-CG 4.38Å; R84-E89 IonicContact CZ-OE1 3.99Å; R84-E89 IonicContact NE-OE1 3.21Å; R84-E89 PolarHBondContact NE-OE1 3.14Å; R84-E89 IonicContact NH2-OE1 3.9Å; R84-E89 PolarHBondContact NH2-OE1 3.04Å; R84-E89 WeakPolarHBondContact O-CB 3.38Å; R84-E89 WeakPolarHBondContact O-CG 3.4Å; R84-E89 PolarHBondContact O-N 2.9Å; E89-I92 PolarHBondContact O-N 3.13Å; E89-K93 VanDerWaalsContact O-CG 3.3Å; E89-K93 WeakPolarHBondContact O-CG 3.42Å; E89-K93 PolarHBondContact O-N 3.17Å
90	P	97.6	Very high	96.2	Very high	40 Å²	40	43.9 Å²	43.9	26%	0.26	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-44.4	172.5	-29	40.7	0	0	0	113.7	T85 K86 I92 K93 M94 T236	T85-P90 WeakPolarHBondContact O-CD 3.09Å; K86-P90 WeakPolarHBondContact O-CG 3.28Å; P90-I92 VanDerWaalsContact C-N 3.33Å; P90-I92 PolarHBondContact O-N 3.08Å; P90-K93 WeakPolarHBondContact O-CB 3.31Å; P90-K93 PolarHBondContact O-N 2.82Å; P90-K93 VanDerWaalsContact O-N 3.13Å; P90-M94 WeakPolarHBondContact O-CG 3.13Å; P90-M94 PolarHBondContact O-N 3.24Å; P90-M94 VanDerWaalsContact O-N 3.11Å; P90-T236 HydrophobicContact CB-CG2 3.95Å
91	A	96.9	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-41.8	176.5	0	0	0	0	0	112.4	I87 I88 M94 T236 M239 A240	I87-A91 VanDerWaalsContact O-CB 3.3Å; I87-A91 WeakPolarHBondContact O-CB 3.42Å; I87-A91 PolarHBondContact O-N 3.34Å; I87-A91 VanDerWaalsContact O-N 3.16Å; I88-A91 PolarHBondContact O-N 2.9Å; A91-M94 WeakPolarHBondContact O-CB 3.39Å; A91-M94 PolarHBondContact O-N 3.23Å; A91-T236 HydrophobicContact CB-CG2 4.39Å; A91-M239 HydrophobicContact CB-CB 3.75Å; A91-M239 HydrophobicContact CB-CG 3.67Å; A91-A240 HydrophobicContact CB-CB 4.02Å
92	I	98.7	Very high	96.5	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-45.7	173.9	-73.9	170.7	0	0	0	111.1	V66 P68 I88 E89 P90 M94 W95 E96 Y182 L243	V66-I92 HydrophobicContact CB-CG1 4.34Å; V66-I92 HydrophobicContact CB-CG2 3.72Å; V66-I92 HydrophobicContact CG1-CD1 4.11Å; V66-I92 HydrophobicContact CG1-CG1 4.09Å; V66-I92 HydrophobicContact CG1-CG2 4.39Å; V66-I92 HydrophobicContact CG2-CG2 4.11Å; P68-I92 HydrophobicContact CB-CD1 4.01Å; P68-I92 HydrophobicContact CG-CD1 4.14Å; I88-I92 HydrophobicContact CG2-CD1 3.87Å; I88-I92 WeakPolarHBondContact O-CG1 3.2Å; I88-I92 PolarHBondContact O-N 2.83Å; E89-I92 PolarHBondContact O-N 3.13Å; P90-I92 VanDerWaalsContact C-N 3.33Å; P90-I92 PolarHBondContact O-N 3.08Å; I92-M94 VanDerWaalsContact C-N 3.26Å; I92-M94 PolarHBondContact O-N 2.74Å; I92-W95 PolarHBondContact O-N 3.37Å; I92-E96 HydrophobicContact CG2-CG 3.97Å; I92-E96 PolarHBondContact O-N 2.92Å; I92-Y182 HydrophobicContact CD1-CD1 4.32Å; I92-Y182 HydrophobicContact CG1-CD1 4.36Å; I92-L243 HydrophobicContact CG1-CD2 3.97Å
93	K	98.5	Very high	96.4	Very high	130 Å²	130	36.1 Å²	36.1	57%	0.565	18%	0.176	S	C	*	.	H	α-helix	trans	-61.3	-34.3	-178.6	-76.2	171.4	-177.6	173.6	0	112.5	E89 P90 W95 A97	E89-K93 VanDerWaalsContact O-CG 3.3Å; E89-K93 WeakPolarHBondContact O-CG 3.42Å; E89-K93 PolarHBondContact O-N 3.17Å; P90-K93 WeakPolarHBondContact O-CB 3.31Å; P90-K93 PolarHBondContact O-N 2.82Å; P90-K93 VanDerWaalsContact O-N 3.13Å; K93-W95 PolarHBondContact O-N 2.95Å; K93-A97 WeakPolarHBondContact O-CB 3.42Å; K93-A97 PolarHBondContact O-N 3.2Å
94	M	98.2	Very high	96.2	Very high	51 Å²	51	38.3 Å²	38.3	25%	0.251	19%	0.186	S	C	.	.	H	α-helix	trans	-55.7	-50.9	175.2	-66.9	174	70	0	0	110.9	P90 A91 I92 L98 A240 I367	P90-M94 WeakPolarHBondContact O-CG 3.13Å; P90-M94 PolarHBondContact O-N 3.24Å; P90-M94 VanDerWaalsContact O-N 3.11Å; A91-M94 WeakPolarHBondContact O-CB 3.39Å; A91-M94 PolarHBondContact O-N 3.23Å; I92-M94 VanDerWaalsContact C-N 3.26Å; I92-M94 PolarHBondContact O-N 2.74Å; M94-L98 WeakPolarHBondContact O-CD1 3.37Å; M94-L98 VanDerWaalsContact O-CG 3.29Å; M94-L98 WeakPolarHBondContact O-CG 3.47Å; M94-A240 HydrophobicContact CE-CB 4.38Å; M94-A240 HydrophobicContact SD-CB 3.95Å; M94-I367 HydrophobicContact CB-CD1 4.27Å; M94-I367 HydrophobicContact CE-CD1 3.97Å; M94-I367 HydrophobicContact CE-CG1 4.39Å
95	W	98.6	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-74.3	-38.4	-179.5	-69.7	107.8	0	0	0	113.9	I92 K93 A97 L98 L99 A240 L243 L247 L356 M357 I367 T371 F375	I92-W95 PolarHBondContact O-N 3.37Å; K93-W95 PolarHBondContact O-N 2.95Å; W95-A97 PolarHBondContact O-N 2.77Å; W95-L98 PolarHBondContact O-N 2.89Å; W95-L98 VanDerWaalsContact O-N 3.08Å; W95-L99 HydrophobicContact CE3-CD1 3.81Å; W95-L99 HydrophobicContact CE3-CG 4.22Å; W95-L99 HydrophobicContact CZ3-CD1 4.41Å; W95-L99 PolarHBondContact O-N 3.34Å; W95-A240 PolarHBondContact NE1-O 2.94Å; W95-L243 HydrophobicContact CB-CD2 4.4Å; W95-L243 HydrophobicContact CG-CD2 4.28Å; W95-L243 HydrophobicContact CG-CG 4.33Å; W95-L247 HydrophobicContact CB-CD1 3.88Å; W95-L247 HydrophobicContact CD2-CD1 3.57Å; W95-L247 HydrophobicContact CE3-CD1 3.87Å; W95-L247 HydrophobicContact CG-CD1 3.59Å; W95-L356 HydrophobicContact CZ2-CD2 3.82Å; W95-M357 HydrophobicContact CZ2-SD 4.46Å; W95-I367 HydrophobicContact CD2-CD1 4.25Å; W95-I367 HydrophobicContact CE3-CD1 4.38Å; W95-I367 HydrophobicContact CH2-CD1 4.13Å; W95-I367 HydrophobicContact CH2-CG1 4.46Å; W95-I367 HydrophobicContact CH2-CG2 4.33Å; W95-I367 HydrophobicContact CZ2-CD1 4.02Å; W95-I367 HydrophobicContact CZ3-CD1 4.31Å; W95-I367 HydrophobicContact CZ3-CG2 4.32Å; W95-T371 HydrophobicContact CH2-CG2 3.81Å; W95-T371 HydrophobicContact CZ3-CG2 4.26Å; W95-F375 HydrophobicContact CE3-CE2 4.38Å; W95-F375 HydrophobicContact CH2-CD2 4.15Å; W95-F375 AromaticContact CH2-CE2 3.37Å; W95-F375 HydrophobicContact CH2-CE2 3.37Å; W95-F375 AromaticContact CH2-CZ 3.99Å; W95-F375 HydrophobicContact CH2-CZ 3.99Å; W95-F375 HydrophobicContact CZ2-CE2 4.43Å; W95-F375 AromaticContact CZ3-CD2 3.73Å; W95-F375 HydrophobicContact CZ3-CD2 3.73Å; W95-F375 AromaticContact CZ3-CE2 3.32Å; W95-F375 HydrophobicContact CZ3-CE2 3.32Å; W95-F375 AromaticContact CZ3-CZ 3.96Å; W95-F375 HydrophobicContact CZ3-CZ 3.96Å
96	E	98.7	Very high	95.2	Very high	25 Å²	25	39.4 Å²	39.4	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-29.4	176.3	-71.5	-166.5	156.5	0	0	112.5	R63 L64 K65 V66 I92 L98	R63-E96 VanDerWaalsContact CD-O 3.28Å; R63-E96 WeakPolarHBondContact CD-O 3.4Å; R63-E96 WeakPolarHBondContact CG-O 3.37Å; L64-E96 WeakPolarHBondContact O-CG 3.06Å; K65-E96 VanDerWaalsContact CA-OE1 3.3Å; K65-E96 WeakPolarHBondContact CA-OE1 3.02Å; K65-E96 WeakPolarHBondContact CD-OE1 3.02Å; K65-E96 WeakPolarHBondContact CE-OE1 3.13Å; K65-E96 IonicContact NZ-OE1 3.87Å; K65-E96 PolarHBondContact NZ-OE1 2.98Å; K65-E96 IonicContact NZ-OE2 3.51Å; K65-E96 PolarHBondContact NZ-OE2 3.27Å; V66-E96 HydrophobicContact CG2-CG 4.14Å; V66-E96 PolarHBondContact N-OE1 3.47Å; I92-E96 HydrophobicContact CG2-CG 3.97Å; I92-E96 PolarHBondContact O-N 2.92Å; E96-L98 VanDerWaalsContact C-N 3.34Å
97	A	98.4	Very high	94.9	Very high	53 Å²	53	37.6 Å²	37.6	44%	0.438	19%	0.188	S	C	.	.	H	α-helix	trans	-73.9	-25.2	176	0	0	0	0	0	113.2	K93 W95	K93-A97 WeakPolarHBondContact O-CB 3.42Å; K93-A97 PolarHBondContact O-N 3.2Å; W95-A97 PolarHBondContact O-N 2.77Å
98	L	98.7	Very high	94.9	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-100.2	-28	-171.8	-64.6	173.8	0	0	0	113.6	M94 W95 E96 I367 L372 V383 N384	M94-L98 WeakPolarHBondContact O-CD1 3.37Å; M94-L98 VanDerWaalsContact O-CG 3.29Å; M94-L98 WeakPolarHBondContact O-CG 3.47Å; W95-L98 PolarHBondContact O-N 2.89Å; W95-L98 VanDerWaalsContact O-N 3.08Å; E96-L98 VanDerWaalsContact C-N 3.34Å; L98-I367 HydrophobicContact CD1-CB 4.02Å; L98-I367 HydrophobicContact CD1-CD1 3.64Å; L98-I367 HydrophobicContact CD1-CG1 4.42Å; L98-I367 HydrophobicContact CD1-CG2 3.7Å; L98-L372 HydrophobicContact CB-CD2 4.03Å; L98-L372 HydrophobicContact CD1-CD2 4.22Å; L98-L372 HydrophobicContact CD2-CD1 4.28Å; L98-V383 CarbonylContact O-C 3.43Å; L98-V383 WeakPolarHBondContact O-CA 3.29Å; L98-N384 PolarHBondContact O-N 3.11Å
99	L	98.8	Very high	94.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.2	-170.3	-56.2	-177.3	0	0	0	113.7	L64 W95 L247 L372 F375 Y381 V383	L64-L99 HydrophobicContact CB-CB 4.16Å; L64-L99 WeakPolarHBondContact CB-O 3.35Å; L64-L99 HydrophobicContact CD2-CB 4.1Å; L64-L99 HydrophobicContact CD2-CD1 4.15Å; L64-L99 PolarHBondContact N-O 2.79Å; W95-L99 HydrophobicContact CE3-CD1 3.81Å; W95-L99 HydrophobicContact CE3-CG 4.22Å; W95-L99 HydrophobicContact CZ3-CD1 4.41Å; W95-L99 PolarHBondContact O-N 3.34Å; L99-L247 HydrophobicContact CD1-CD1 3.93Å; L99-L247 HydrophobicContact CD1-CD2 4.34Å; L99-L372 HydrophobicContact CD2-CD2 4.44Å; L99-F375 HydrophobicContact CD1-CD1 4.3Å; L99-F375 HydrophobicContact CD1-CG 4.46Å; L99-F375 HydrophobicContact CD2-CB 3.97Å; L99-F375 HydrophobicContact CD2-CG 4.26Å; L99-Y381 HydrophobicContact CB-CD1 4.04Å; L99-Y381 HydrophobicContact CD1-CD1 4.21Å; L99-Y381 HydrophobicContact CD1-CE1 4.29Å; L99-Y381 HydrophobicContact CD1-CG 4.34Å; L99-Y381 HydrophobicContact CD2-CG 4.41Å; L99-V383 HydrophobicContact CD2-CB 4.45Å; L99-V383 HydrophobicContact CD2-CG1 3.72Å
100	K	98.6	Very high	94.8	Very high	93 Å²	93	43.8 Å²	43.8	40%	0.404	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.1	165.1	-56.1	178.8	-173.4	169	0	109.1	I61 K62 Y381 Q382	I61-K100 HydrophobicContact CG2-CB 3.62Å; I61-K100 HydrophobicContact CG2-CD 3.77Å; I61-K100 HydrophobicContact CG2-CG 4.35Å; K62-K100 CarbonylContact O-C 3.42Å; K62-K100 WeakPolarHBondContact O-CA 3.22Å; K100-Y381 CarbonylContact O-C 3.56Å; K100-Y381 WeakPolarHBondContact O-CA 2.99Å; K100-Q382 HydrophobicContact CB-CB 4.36Å; K100-Q382 PolarHBondContact N-O 3.49Å; K100-Q382 PolarHBondContact O-N 3.13Å
101	V	97.9	Very high	94.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.5	179.2	177.4	0	0	0	0	110.4	I61 K62 L64 M103 F177 N178 Y381	I61-V101 WeakPolarHBondContact CA-O 3.23Å; K62-V101 PolarHBondContact N-O 3Å; K62-V101 PolarHBondContact O-N 3.46Å; L64-V101 HydrophobicContact CB-CG2 4.37Å; L64-V101 HydrophobicContact CD1-CG2 3.95Å; V101-M103 HydrophobicContact CG1-CE 4.49Å; V101-F177 HydrophobicContact CG1-CD2 4.17Å; V101-N178 HydrophobicContact CB-CB 4.08Å; V101-N178 HydrophobicContact CG2-CB 4.28Å; V101-Y381 HydrophobicContact CG2-CD1 4.24Å; V101-Y381 HydrophobicContact CG2-CE1 4Å
102	K	94.1	Very high	94.7	Very high	31 Å²	31	42.1 Å²	42.1	14%	0.135	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.1	170.6	-65.3	170.2	63.8	-169.9	0	109.7	F59 F60 I61 E260 W380 Q382	F59-K102 HydrophobicContact CD1-CB 3.99Å; F59-K102 HydrophobicContact CG-CB 4.43Å; F60-K102 WeakPolarHBondContact O-CA 3.38Å; I61-K102 HydrophobicContact CG1-CG 4.41Å; K102-E260 PolarHBondContact NZ-O 3.39Å; K102-W380 PolarHBondContact N-O 3.46Å; K102-Q382 HydrophobicContact CG-CB 4.44Å
103	M	90.8	Very high	94.6	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.6	178	-163	74.1	80.4	0	0	111.2	F59 F60 V101 S105 F177 T210	F59-M103 CarbonylContact C-O 3.58Å; F60-M103 PolarHBondContact N-O 2.92Å; F60-M103 PolarHBondContact O-N 3.45Å; V101-M103 HydrophobicContact CG1-CE 4.49Å; M103-S105 WeakPolarHBondContact CG-O 3.43Å; M103-F177 HydrophobicContact CB-CB 4.3Å; M103-F177 HydrophobicContact CB-CD2 3.42Å; M103-F177 VanDerWaalsContact CB-CD2 3.42Å; M103-F177 HydrophobicContact CB-CE2 3.95Å; M103-F177 HydrophobicContact CB-CG 4.06Å; M103-F177 HydrophobicContact CE-CB 3.76Å; M103-F177 HydrophobicContact CE-CD2 4.38Å; M103-F177 WeakPolarHBondContact CE-O 3.47Å; M103-F177 HydrophobicContact CG-CB 3.97Å; M103-F177 HydrophobicContact CG-CD2 4.06Å; M103-F177 HydrophobicContact CG-CG 4.25Å; M103-T210 HydrophobicContact SD-CG2 3.5Å; M103-T210 VanDerWaalsContact SD-CG2 3.5Å
104	K	86	Confident	94.5	Very high	48 Å²	48	35.8 Å²	35.8	21%	0.209	17%	0.17	C	C	.	.	S	Bend	trans	-89.7	-3.4	175.8	-66.2	-174.5	179.4	176.6	0	114.1	I54 F59 L261	I54-K104 HydrophobicContact CG2-CD 4.32Å; F59-K104 HydrophobicContact CD1-CG 3.89Å; F59-K104 HydrophobicContact CE1-CD 4.32Å; F59-K104 HydrophobicContact CE1-CG 3.81Å; F59-K104 VanDerWaalsContact CZ-CE 3.49Å; K104-L261 PolarHBondContact NZ-O 2.67Å
105	S	83.8	Confident	94.3	Very high	24 Å²	24	33.3 Å²	33.3	17%	0.168	16%	0.158	C	C	.	.			trans	-136.3	149.6	175.7	178.7	0	0	0	0	110.3	M103 N107	M103-S105 WeakPolarHBondContact CG-O 3.43Å; S105-N107 WeakPolarHBondContact OG-CB 3.48Å; S105-N107 VanDerWaalsContact OG-CG 3.28Å; S105-N107 PolarHBondContact OG-N 2.94Å
106	K	85.8	Confident	94.1	Very high	137 Å²	137	36.3 Å²	36.3	60%	0.596	17%	0.174	S	C	*	.			trans	-92.6	0.5	173.3	-75.6	-179.1	176.4	166.6	0	112.9	F60 F177	F60-K106 HydrophobicContact CB-CG 4.46Å; F60-K106 HydrophobicContact CD1-CD 4.23Å; F60-K106 HydrophobicContact CD1-CG 4.15Å; F60-K106 HydrophobicContact CD2-CG 3.78Å; F60-K106 HydrophobicContact CE1-CD 4.15Å; F60-K106 HydrophobicContact CE1-CG 4.32Å; F60-K106 HydrophobicContact CE2-CG 3.97Å; F60-K106 HydrophobicContact CG-CD 4.43Å; F60-K106 HydrophobicContact CG-CG 3.84Å; F60-K106 HydrophobicContact CZ-CD 4.3Å; F60-K106 HydrophobicContact CZ-CG 4.22Å; K106-F177 HydrophobicContact CG-CE1 4.34Å
107	N	88	Confident	93.8	Very high	76 Å²	76	40.8 Å²	40.8	41%	0.406	20%	0.198	S	C	.	.	S	Bend	trans	-61.4	161.1	-175.1	-72.7	-5.1	0	0	0	112.6	E52 S105	E52-N107 PolarHBondContact OE1-ND2 3.25Å; E52-N107 PolarHBondContact OE2-ND2 3.12Å; S105-N107 WeakPolarHBondContact OG-CB 3.48Å; S105-N107 VanDerWaalsContact OG-CG 3.28Å; S105-N107 PolarHBondContact OG-N 2.94Å
108	R	92.5	Very high	93.3	Very high	131 Å²	131	40.9 Å²	40.9	49%	0.494	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-68.4	140.2	171.5	-74.4	176.9	151	131.6	0.6	109.9	Y110 Q173 M175	R108-Y110 HydrophobicContact CB-CE2 3.9Å; R108-Y110 WeakPolarHBondContact O-CE2 3.36Å; R108-Q173 WeakPolarHBondContact CD-O 3.34Å; R108-Q173 PolarHBondContact NE-O 2.6Å; R108-Q173 VanDerWaalsContact NE-O 3.16Å; R108-M175 CarbonylContact C-O 3.38Å; R108-M175 WeakPolarHBondContact CA-O 3.34Å; R108-M175 WeakPolarHBondContact CB-O 3.36Å
109	I	93.5	Very high	93	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.067	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-95.6	139.5	171.5	60.4	177	0	0	0	108.6	G174 M175 I214	I109-G174 CarbonylContact O-C 3.45Å; I109-G174 WeakPolarHBondContact O-CA 3.5Å; I109-M175 HydrophobicContact CD1-CB 4.19Å; I109-M175 HydrophobicContact CD1-CE 3.68Å; I109-M175 HydrophobicContact CG1-CB 3.75Å; I109-M175 HydrophobicContact CG1-CE 4.22Å; I109-M175 PolarHBondContact N-O 2.71Å; I109-M175 PolarHBondContact O-N 2.94Å; I109-I214 HydrophobicContact CD1-CB 4.08Å; I109-I214 HydrophobicContact CD1-CD1 4.45Å; I109-I214 HydrophobicContact CD1-CG2 3.84Å
110	Y	96.1	Very high	92.7	Very high	44 Å²	44	43.9 Å²	43.9	17%	0.173	20%	0.203	C	C	.	.			trans	-122.1	137.3	178.8	-58.2	-87.2	0	0	0	108.7	S48 R108 R171 G172	S48-Y110 VanDerWaalsContact CB-O 3.3Å; S48-Y110 WeakPolarHBondContact CB-O 3.26Å; S48-Y110 PolarHBondContact OG-O 3.44Å; R108-Y110 HydrophobicContact CB-CE2 3.9Å; R108-Y110 WeakPolarHBondContact O-CE2 3.36Å; Y110-R171 HydrophobicContact CD1-CG 3.55Å; Y110-R171 VanDerWaalsContact CE1-CD 3.5Å; Y110-R171 HydrophobicContact CE1-CG 3.5Å; Y110-R171 VanDerWaalsContact CE1-CG 3.5Å; Y110-R171 HydrophobicContact CG-CG 4.31Å; Y110-G172 WeakPolarHBondContact CE1-O 3.43Å
111	L	96.4	Very high	92.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-85	126.7	-176.6	-58.2	-174.9	0	0	0	109.8	I149 Y153 L154 D155 L181 R205 I214 A215	L111-I149 HydrophobicContact CB-CG2 4.46Å; L111-I149 HydrophobicContact CD1-CG2 3.64Å; L111-Y153 PolarHBondContact N-O 2.79Å; L111-L154 HydrophobicContact CB-CD2 4.23Å; L111-L154 WeakPolarHBondContact O-CA 3.28Å; L111-D155 PolarHBondContact O-N 3.48Å; L111-L181 HydrophobicContact CD1-CB 4.41Å; L111-L181 HydrophobicContact CD1-CD2 3.6Å; L111-R205 HydrophobicContact CB-CG 4.42Å; L111-R205 HydrophobicContact CD2-CB 4.05Å; L111-R205 HydrophobicContact CD2-CG 4.32Å; L111-I214 HydrophobicContact CD2-CB 4.39Å; L111-I214 HydrophobicContact CD2-CD1 3.39Å; L111-I214 HydrophobicContact CD2-CG1 3.64Å; L111-A215 HydrophobicContact CD1-CB 3.93Å; L111-A215 HydrophobicContact CD2-CB 4.33Å
112	F	96.8	Very high	92.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-62.9	135.5	179.1	-166.9	-88.9	0	0	0	111	Y46 R132 Y158 R205	Y46-F112 AromaticContact CD1-CD1 3.49Å; Y46-F112 HydrophobicContact CD1-CD1 3.49Å; Y46-F112 VanDerWaalsContact CD1-CD1 3.49Å; Y46-F112 AromaticContact CD1-CE1 3.79Å; Y46-F112 HydrophobicContact CD1-CE1 3.79Å; Y46-F112 HydrophobicContact CE1-CD1 4.33Å; Y46-F112 HydrophobicContact CE1-CE1 4.33Å; Y46-F112 AromaticContact CG-CD1 3.91Å; Y46-F112 HydrophobicContact CG-CD1 3.91Å; F112-R132 HydrophobicContact CE2-CB 4.08Å; F112-R132 WeakPolarHBondContact CE2-O 3.34Å; F112-Y158 HydrophobicContact CD2-CD2 4.18Å; F112-Y158 AromaticContact CE2-CD2 3.77Å; F112-Y158 HydrophobicContact CE2-CD2 3.77Å; F112-Y158 HydrophobicContact CE2-CG 4.38Å; F112-R205 PolarHBondContact O-NE 3.13Å
113	R	96.7	Very high	92.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.015	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-68.5	147.9	179.9	-70.3	-174	176.5	-90.8	-3.9	111.6	C138 S142 E151 L154 D155 H170	R113-C138 HydrophobicContact CB-CB 4.08Å; R113-S142 VanDerWaalsContact CA-OG 3.27Å; R113-S142 WeakPolarHBondContact CA-OG 3.06Å; R113-S142 WeakPolarHBondContact CB-OG 3.5Å; R113-E151 IonicContact CZ-OE2 3.65Å; R113-E151 IonicContact NH1-OE1 2.77Å; R113-E151 PolarHBondContact NH1-OE1 3.26Å; R113-E151 VanDerWaalsContact NH1-OE1 3.08Å; R113-E151 IonicContact NH1-OE2 3.09Å; R113-E151 PolarHBondContact NH1-OE2 3.23Å; R113-E151 VanDerWaalsContact NH1-OE2 3.13Å; R113-E151 IonicContact NH2-OE2 3.95Å; R113-E151 PolarHBondContact NH2-OE2 2.91Å; R113-L154 HydrophobicContact CG-CB 4.35Å; R113-L154 HydrophobicContact CG-CD1 4.46Å; R113-L154 HydrophobicContact CG-CD2 4.44Å; R113-D155 PolarHBondContact NE-O 2.84Å; R113-H170 PolarHBondContact NH2-O 2.81Å
114	S	95.2	Very high	92.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.7	135.5	175.7	-63.9	0	0	0	0	110.5	C138 K139 S142 E143 R205	S114-C138 CarbonylContact O-C 3.49Å; S114-C138 WeakPolarHBondContact O-CA 2.85Å; S114-K139 PolarHBondContact O-N 2.87Å; S114-S142 PolarHBondContact N-OG 3.28Å; S114-S142 VanDerWaalsContact N-OG 3.08Å; S114-E143 PolarHBondContact OG-N 2.54Å; S114-E143 PolarHBondContact OG-O 3Å; S114-R205 PolarHBondContact OG-NH2 3.13Å
115	C	95.1	Very high	92.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-84.5	147.9	176.5	-60.1	0	0	0	0	111.5	Y46 N117 H118 C134 K139	Y46-C115 HydrophobicContact CE1-CB 4.14Å; Y46-C115 PolarHBondContact OH-N 3.35Å; Y46-C115 VanDerWaalsContact OH-N 3.14Å; C115-N117 PolarHBondContact O-N 3.37Å; C115-H118 PolarHBondContact O-N 3.37Å; C115-H118 VanDerWaalsContact O-N 3.11Å; C115-C134 WeakPolarHBondContact CA-SG 3.42Å; C115-C134 HydrophobicContact CB-CB 3.59Å; C115-C134 WeakPolarHBondContact CB-SG 3.46Å; C115-C134 WeakPolarHBondContact SG-CA 3.33Å; C115-C134 WeakPolarHBondContact SG-CB 3.43Å; C115-C134 CovalentContact SG-SG 2.03Å; C115-C134 PolarHBondContact SG-SG 3.37Å; C115-K139 WeakPolarHBondContact O-CE 3.24Å
116	I	95.2	Very high	92.6	Very high	62 Å²	62	51.1 Å²	51.1	32%	0.318	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-57.7	134.5	165.9	-68.2	167.3	0	0	0	108.1	H118 S119 E136 G137 K139	I116-H118 PolarHBondContact O-N 2.95Å; I116-S119 WeakPolarHBondContact O-CB 3.21Å; I116-S119 PolarHBondContact O-N 2.76Å; I116-E136 HydrophobicContact CB-CB 4.08Å; I116-E136 VanDerWaalsContact CD1-O 3.27Å; I116-E136 WeakPolarHBondContact CD1-O 3.45Å; I116-E136 HydrophobicContact CG2-CB 4.12Å; I116-G137 PolarHBondContact N-O 3.37Å; I116-K139 HydrophobicContact CG1-CG 4.13Å
117	N	90.7	Very high	92.7	Very high	119 Å²	119	49.9 Å²	49.9	64%	0.636	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	52.1	20.9	-175	-61.6	-33.5	0	0	0	115.2	C115 S119 E136	C115-N117 PolarHBondContact O-N 3.37Å; N117-S119 PolarHBondContact O-N 2.71Å; N117-E136 PolarHBondContact ND2-OE2 3.36Å
118	H	89.4	Confident	92.7	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.259	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	57.3	18.3	-173.2	-53	-88.3	0	0	0	113.8	Q44 Y46 C115 I116 K120 E143	Q44-H118 PolarHBondContact OE1-ND1 3.19Å; Y46-H118 PolarHBondContact OH-ND1 2.67Å; C115-H118 PolarHBondContact O-N 3.37Å; C115-H118 VanDerWaalsContact O-N 3.11Å; I116-H118 PolarHBondContact O-N 2.95Å; H118-K120 PolarHBondContact O-N 3.12Å; H118-E143 IonicContact CE1-OE1 2.65Å
119	S	92.2	Very high	92.5	Very high	8 Å²	8	44.8 Å²	44.8	6%	0.056	25%	0.253	C	S	.	.			trans	-78.8	84.1	-173.3	-162.1	0	0	0	0	110	I116 N117 C134 R135 E136	I116-S119 WeakPolarHBondContact O-CB 3.21Å; I116-S119 PolarHBondContact O-N 2.76Å; N117-S119 PolarHBondContact O-N 2.71Å; S119-C134 CarbonylContact O-C 3.45Å; S119-C134 WeakPolarHBondContact O-CA 3.34Å; S119-R135 PolarHBondContact O-N 3.21Å; S119-R135 PolarHBondContact OG-NE 2.98Å; S119-R135 PolarHBondContact OG-NH2 2.91Å; S119-E136 WeakPolarHBondContact CB-OE1 3.44Å; S119-E136 PolarHBondContact OG-OE1 3.33Å
120	K	92.1	Very high	92.4	Very high	67 Å²	67	47.3 Å²	47.3	29%	0.291	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151.2	178.4	66.6	179.2	178.1	171.7	0	111.5	Y45 Y46 H118 Y133	Y45-K120 PolarHBondContact O-NZ 3.5Å; Y46-K120 HydrophobicContact CD1-CB 4.44Å; Y46-K120 HydrophobicContact CD1-CD 3.81Å; Y46-K120 HydrophobicContact CE1-CB 4.21Å; Y46-K120 HydrophobicContact CE1-CD 3.97Å; H118-K120 PolarHBondContact O-N 3.12Å; K120-Y133 WeakPolarHBondContact CA-O 3.23Å
121	D	92.9	Very high	92.3	Very high	58 Å²	58	46 Å²	46	31%	0.31	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	178.2	173.3	-152.3	-17.7	0	0	0	110.7	R132 Y133 R135	D121-R132 WeakPolarHBondContact O-CA 3.29Å; D121-Y133 HydrophobicContact CB-CE1 3.93Å; D121-Y133 HydrophobicContact CB-CE2 4.26Å; D121-Y133 PolarHBondContact N-O 2.78Å; D121-Y133 PolarHBondContact O-N 2.88Å; D121-R135 HydrophobicContact CB-CG 3.98Å; D121-R135 IonicContact OD2-NH1 2.97Å
122	A	93.8	Very high	92.2	Very high	8 Å²	8	46.8 Å²	46.8	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.6	174.5	0	0	0	0	0	111.8	R130 Y131 R132 V271 T272	A122-R130 HydrophobicContact CB-CG 4.26Å; A122-Y131 CarbonylContact C-O 3.6Å; A122-Y131 VanDerWaalsContact CA-O 3.23Å; A122-Y131 WeakPolarHBondContact CA-O 2.96Å; A122-R132 HydrophobicContact CB-CG 4.21Å; A122-V271 VanDerWaalsContact O-CG1 3.22Å; A122-V271 WeakPolarHBondContact O-CG1 3.03Å; A122-T272 HydrophobicContact CB-CG2 4.39Å
123	K	93.1	Very high	92.2	Very high	50 Å²	50	47.9 Å²	47.9	22%	0.217	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.8	167.7	73.5	174.7	-144.3	166.8	0	111.4	L125 Y131 Y133 L160 E163	K123-L125 HydrophobicContact CD-CD2 4.3Å; K123-L125 HydrophobicContact CG-CD2 4.11Å; K123-Y131 HydrophobicContact CG-CD1 4.39Å; K123-Y131 PolarHBondContact N-O 2.97Å; K123-Y131 PolarHBondContact O-N 3.38Å; K123-Y133 HydrophobicContact CB-CE1 4.42Å; K123-Y133 HydrophobicContact CG-CE1 4.42Å; K123-L160 HydrophobicContact CD-CD1 4.01Å; K123-L160 HydrophobicContact CD-CD2 3.88Å; K123-E163 PolarHBondContact NZ-O 2.04Å
124	I	91.7	Very high	92.2	Very high	61 Å²	61	47.7 Å²	47.7	31%	0.313	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.3	170.8	-56.7	-56.5	0	0	0	108	R130 V271	I124-R130 HydrophobicContact CD1-CB 3.88Å; I124-R130 HydrophobicContact CD1-CG 4.16Å; I124-V271 HydrophobicContact CG1-CG1 4.41Å; I124-V271 HydrophobicContact CG1-CG2 4.45Å
125	L	90.4	Very high	92.1	Very high	36 Å²	36	54.7 Å²	54.7	19%	0.188	29%	0.29	C	S	.	.			trans	-74.1	165.8	174.7	-55.7	-174.6	0	0	0	110.6	K123 N127 G128 T129 Y131 P165	K123-L125 HydrophobicContact CD-CD2 4.3Å; K123-L125 HydrophobicContact CG-CD2 4.11Å; L125-N127 WeakPolarHBondContact CB-OD1 3.48Å; L125-N127 PolarHBondContact O-N 3.36Å; L125-N127 VanDerWaalsContact O-N 3.15Å; L125-G128 WeakPolarHBondContact O-CA 3.41Å; L125-G128 PolarHBondContact O-N 3.29Å; L125-T129 PolarHBondContact N-O 3.28Å; L125-Y131 HydrophobicContact CD1-CD2 4.3Å; L125-Y131 HydrophobicContact CD1-CG 4.45Å; L125-Y131 HydrophobicContact CD2-CG 4.24Å; L125-P165 HydrophobicContact CD1-CG 4.28Å; L125-P165 HydrophobicContact CD2-CG 3.55Å
126	S	87.9	Confident	92.1	Very high	138 Å²	138	59.3 Å²	59.3	97%	0.965	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.2	178.4	50.9	0	0	0	0	113.6	G128	S126-G128 PolarHBondContact O-N 2.82Å
127	N	87.4	Confident	92.2	Very high	112 Å²	112	57.2 Å²	57.2	60%	0.599	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	5.6	174.8	67.6	4.2	0	0	0	114.1	L125 T129	L125-N127 WeakPolarHBondContact CB-OD1 3.48Å; L125-N127 PolarHBondContact O-N 3.36Å; L125-N127 VanDerWaalsContact O-N 3.15Å; N127-T129 PolarHBondContact O-N 2.88Å; N127-T129 WeakPolarHBondContact OD1-CB 3.3Å; N127-T129 PolarHBondContact OD1-N 3.37Å; N127-T129 PolarHBondContact OD1-OG1 2.75Å; N127-T129 VanDerWaalsContact OD1-OG1 3.08Å
128	G	86.8	Confident	92.5	Very high	52 Å²	52	52.6 Å²	52.6	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	80	-3.5	-178.1	0	0	0	0	0	114.8	L125 S126	L125-G128 WeakPolarHBondContact O-CA 3.41Å; L125-G128 PolarHBondContact O-N 3.29Å; S126-G128 PolarHBondContact O-N 2.82Å
129	T	88.8	Confident	92.8	Very high	47 Å²	47	52.3 Å²	52.3	29%	0.288	28%	0.28	S	S	.	.			trans	-71.2	134.2	178.4	-60.7	0	0	0	0	110.5	L125 N127 Y131	L125-T129 PolarHBondContact N-O 3.28Å; N127-T129 PolarHBondContact O-N 2.88Å; N127-T129 WeakPolarHBondContact OD1-CB 3.3Å; N127-T129 PolarHBondContact OD1-N 3.37Å; N127-T129 PolarHBondContact OD1-OG1 2.75Å; N127-T129 VanDerWaalsContact OD1-OG1 3.08Å; T129-Y131 PolarHBondContact O-N 3.21Å
130	R	91	Very high	92.9	Very high	66 Å²	66	57.4 Å²	57.4	25%	0.249	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.4	172.5	-177.3	178	-60.9	100.6	3.6	110.2	A122 I124 R270 V271 N273	A122-R130 HydrophobicContact CB-CG 4.26Å; I124-R130 HydrophobicContact CD1-CB 3.88Å; I124-R130 HydrophobicContact CD1-CG 4.16Å; R130-R270 PolarHBondContact NH2-O 3.47Å; R130-V271 WeakPolarHBondContact CD-O 3.46Å; R130-V271 WeakPolarHBondContact CG-O 3.49Å; R130-V271 PolarHBondContact NE-O 2.04Å; R130-N273 VanDerWaalsContact CZ-CB 3.43Å
131	Y	94.1	Very high	93.1	Very high	17 Å²	17	57.7 Å²	57.7	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	106.7	178.6	-174.9	-99.4	0	0	0	109.7	A122 K123 L125 T129 Y133 Y158 T159 L160 P165 K166	A122-Y131 CarbonylContact C-O 3.6Å; A122-Y131 VanDerWaalsContact CA-O 3.23Å; A122-Y131 WeakPolarHBondContact CA-O 2.96Å; K123-Y131 HydrophobicContact CG-CD1 4.39Å; K123-Y131 PolarHBondContact N-O 2.97Å; K123-Y131 PolarHBondContact O-N 3.38Å; L125-Y131 HydrophobicContact CD1-CD2 4.3Å; L125-Y131 HydrophobicContact CD1-CG 4.45Å; L125-Y131 HydrophobicContact CD2-CG 4.24Å; T129-Y131 PolarHBondContact O-N 3.21Å; Y131-Y133 AromaticContact CD1-CD1 3.88Å; Y131-Y133 HydrophobicContact CD1-CD1 3.88Å; Y131-Y133 HydrophobicContact CD1-CG 4.24Å; Y131-Y133 HydrophobicContact CE1-CD1 4.22Å; Y131-Y133 HydrophobicContact CE1-CG 4.11Å; Y131-Y158 HydrophobicContact CD2-CD1 4.41Å; Y131-Y158 AromaticContact CE2-CD1 3.45Å; Y131-Y158 HydrophobicContact CE2-CD1 3.45Å; Y131-Y158 VanDerWaalsContact CE2-CD1 3.45Å; Y131-Y158 HydrophobicContact CE2-CE1 4.11Å; Y131-Y158 HydrophobicContact CE2-CG 4.33Å; Y131-Y158 AromaticContact CZ-CD1 3.7Å; Y131-T159 PolarHBondContact OH-N 2.62Å; Y131-T159 PolarHBondContact OH-O 3.14Å; Y131-T159 VanDerWaalsContact OH-O 3.06Å; Y131-L160 HydrophobicContact CD1-CD2 4.26Å; Y131-L160 HydrophobicContact CE1-CD2 3.96Å; Y131-P165 HydrophobicContact CD2-CB 4.3Å; Y131-P165 HydrophobicContact CE1-CB 4.04Å; Y131-P165 HydrophobicContact CE2-CB 3.78Å; Y131-K166 PolarHBondContact OH-N 2.64Å; Y131-K166 PolarHBondContact OH-O 2.04Å
132	R	95.2	Very high	93.2	Very high	17 Å²	17	55 Å²	55	6%	0.064	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.6	172.7	-60.1	177.8	173.8	109.7	-2.9	109.1	H47 S48 N49 F112 D121 A122 Y158 G208	H47-R132 VanDerWaalsContact O-CD 3.31Å; H47-R132 WeakPolarHBondContact O-CD 3.38Å; S48-R132 PolarHBondContact O-NH1 2.81Å; N49-R132 PolarHBondContact ND2-O 2.01Å; N49-R132 WeakPolarHBondContact OD1-CB 2.98Å; N49-R132 PolarHBondContact OD1-N 2.86Å; F112-R132 HydrophobicContact CE2-CB 4.08Å; F112-R132 WeakPolarHBondContact CE2-O 3.34Å; D121-R132 WeakPolarHBondContact O-CA 3.29Å; A122-R132 HydrophobicContact CB-CG 4.21Å; R132-Y158 VanDerWaalsContact O-CB 3.32Å; R132-Y158 WeakPolarHBondContact O-CB 2.96Å; R132-G208 PolarHBondContact NH1-O 2.57Å
133	Y	96.1	Very high	93.2	Very high	26 Å²	26	56.9 Å²	56.9	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	162.2	-173.5	68	-82.4	0	0	0	112.3	K120 D121 K123 Y131 R135 Y158 L160	K120-Y133 WeakPolarHBondContact CA-O 3.23Å; D121-Y133 HydrophobicContact CB-CE1 3.93Å; D121-Y133 HydrophobicContact CB-CE2 4.26Å; D121-Y133 PolarHBondContact N-O 2.78Å; D121-Y133 PolarHBondContact O-N 2.88Å; K123-Y133 HydrophobicContact CB-CE1 4.42Å; K123-Y133 HydrophobicContact CG-CE1 4.42Å; Y131-Y133 AromaticContact CD1-CD1 3.88Å; Y131-Y133 HydrophobicContact CD1-CD1 3.88Å; Y131-Y133 HydrophobicContact CD1-CG 4.24Å; Y131-Y133 HydrophobicContact CE1-CD1 4.22Å; Y131-Y133 HydrophobicContact CE1-CG 4.11Å; Y133-R135 HydrophobicContact CE2-CG 3.95Å; Y133-Y158 CarbonylContact C-O 3.6Å; Y133-Y158 WeakPolarHBondContact CA-O 3.28Å; Y133-Y158 WeakPolarHBondContact CB-O 3.4Å; Y133-L160 HydrophobicContact CD1-CD1 4.38Å; Y133-L160 HydrophobicContact CD1-CG 4.3Å; Y133-L160 HydrophobicContact CD2-CB 4.45Å; Y133-L160 HydrophobicContact CD2-CD1 4.1Å; Y133-L160 HydrophobicContact CD2-CG 3.73Å; Y133-L160 HydrophobicContact CE1-CD1 3.8Å; Y133-L160 HydrophobicContact CE1-CG 4.21Å; Y133-L160 HydrophobicContact CE2-CB 4.32Å; Y133-L160 HydrophobicContact CE2-CD1 3.45Å; Y133-L160 VanDerWaalsContact CE2-CD1 3.45Å; Y133-L160 HydrophobicContact CE2-CG 3.61Å; Y133-L160 HydrophobicContact CG-CG 4.08Å; Y133-L160 WeakPolarHBondContact OH-CD1 3.39Å
134	C	96.5	Very high	93.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.5	170.6	-60.8	0	0	0	0	109.8	C115 S119 E136 G137 Y158	C115-C134 WeakPolarHBondContact CA-SG 3.42Å; C115-C134 HydrophobicContact CB-CB 3.59Å; C115-C134 WeakPolarHBondContact CB-SG 3.46Å; C115-C134 WeakPolarHBondContact SG-CA 3.33Å; C115-C134 WeakPolarHBondContact SG-CB 3.43Å; C115-C134 CovalentContact SG-SG 2.03Å; C115-C134 PolarHBondContact SG-SG 3.37Å; S119-C134 CarbonylContact O-C 3.45Å; S119-C134 WeakPolarHBondContact O-CA 3.34Å; C134-E136 VanDerWaalsContact C-N 3.33Å; C134-G137 WeakPolarHBondContact CB-O 3.46Å; C134-Y158 PolarHBondContact N-O 3.24Å
135	R	94.8	Very high	93	Very high	149 Å²	149	53.2 Å²	53.2	56%	0.562	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-35.1	-179.8	-66	-171.2	-70.4	-155.8	2.2	112.3	S119 D121 Y133	S119-R135 PolarHBondContact O-N 3.21Å; S119-R135 PolarHBondContact OG-NE 2.98Å; S119-R135 PolarHBondContact OG-NH2 2.91Å; D121-R135 HydrophobicContact CB-CG 3.98Å; D121-R135 IonicContact OD2-NH1 2.97Å; Y133-R135 HydrophobicContact CE2-CG 3.95Å
136	E	94.4	Very high	92.9	Very high	96 Å²	96	56.1 Å²	56.1	45%	0.449	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	13.1	-174.1	-67.9	164	-127.6	0	0	112.7	I116 N117 S119 C134	I116-E136 HydrophobicContact CB-CB 4.08Å; I116-E136 VanDerWaalsContact CD1-O 3.27Å; I116-E136 WeakPolarHBondContact CD1-O 3.45Å; I116-E136 HydrophobicContact CG2-CB 4.12Å; N117-E136 PolarHBondContact ND2-OE2 3.36Å; S119-E136 WeakPolarHBondContact CB-OE1 3.44Å; S119-E136 PolarHBondContact OG-OE1 3.33Å; C134-E136 VanDerWaalsContact C-N 3.33Å
137	G	96.4	Very high	93.1	Very high	18 Å²	18	49.6 Å²	49.6	19%	0.186	26%	0.261	C	S	.	.			trans	88.6	172.6	-173	0	0	0	0	0	114	I116 C134	I116-G137 PolarHBondContact N-O 3.37Å; C134-G137 WeakPolarHBondContact CB-O 3.46Å
138	C	96.9	Very high	93.4	Very high	22 Å²	22	47.9 Å²	47.9	15%	0.149	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-95.2	148.1	180	-49.6	0	0	0	0	111.1	R113 S114 C157	R113-C138 HydrophobicContact CB-CB 4.08Å; S114-C138 CarbonylContact O-C 3.49Å; S114-C138 WeakPolarHBondContact O-CA 2.85Å; C138-C157 HydrophobicContact CB-CB 3.77Å; C138-C157 WeakPolarHBondContact CB-SG 3.19Å; C138-C157 WeakPolarHBondContact SG-CA 3.33Å; C138-C157 WeakPolarHBondContact SG-CB 2.94Å; C138-C157 CovalentContact SG-SG 2.03Å; C138-C157 PolarHBondContact SG-SG 2.97Å
139	K	95.9	Very high	93.9	Very high	51 Å²	51	45.5 Å²	45.5	22%	0.222	23%	0.229	C	C	.	.			trans	-66.4	146.5	169.7	-66.5	-174.8	-178.3	179	0	109.8	S114 C115 I116 V141 E143	S114-K139 PolarHBondContact O-N 2.87Å; C115-K139 WeakPolarHBondContact O-CE 3.24Å; I116-K139 HydrophobicContact CG1-CG 4.13Å; K139-V141 VanDerWaalsContact CB-O 3.31Å; K139-V141 WeakPolarHBondContact CB-O 3.3Å; K139-V141 PolarHBondContact O-N 2.98Å; K139-E143 IonicContact NZ-OE1 3.36Å; K139-E143 PolarHBondContact NZ-OE1 3.3Å; K139-E143 IonicContact NZ-OE2 3.45Å
140	P	95.1	Very high	94.4	Very high	115 Å²	115	44.4 Å²	44.4	75%	0.747	22%	0.223	S	C	*	.	S	Bend	trans	-63	-29.1	175.9	25.6	-34.5	0	0	0	112.2
141	V	95.7	Very high	94.6	Very high	73 Å²	73	45.6 Å²	45.6	44%	0.442	23%	0.232	S	C	.	.	S	Bend	trans	-116.9	129.3	174.4	-179.2	0	0	0	0	108.4	K139 V148	K139-V141 VanDerWaalsContact CB-O 3.31Å; K139-V141 WeakPolarHBondContact CB-O 3.3Å; K139-V141 PolarHBondContact O-N 2.98Å; V141-V148 HydrophobicContact CG1-CB 4.35Å; V141-V148 HydrophobicContact CG1-CG1 3.6Å; V141-V148 HydrophobicContact CG1-CG2 3.86Å
142	S	95.7	Very high	94.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.			trans	-93.3	103.8	176.8	-70.9	0	0	0	0	111.2	R113 S114 I149	R113-S142 VanDerWaalsContact CA-OG 3.27Å; R113-S142 WeakPolarHBondContact CA-OG 3.06Å; R113-S142 WeakPolarHBondContact CB-OG 3.5Å; S114-S142 PolarHBondContact N-OG 3.28Å; S114-S142 VanDerWaalsContact N-OG 3.08Å; S142-I149 WeakPolarHBondContact O-CB 3Å; S142-I149 WeakPolarHBondContact O-CG1 3.44Å; S142-I149 PolarHBondContact O-N 3.15Å
143	E	92.8	Very high	94.9	Very high	48 Å²	48	50.3 Å²	50.3	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	153.8	175.2	71.1	-90.1	161.8	0	0	115.1	S114 H118 K139 Y145 G147 R205	S114-E143 PolarHBondContact OG-N 2.54Å; S114-E143 PolarHBondContact OG-O 3Å; H118-E143 IonicContact CE1-OE1 2.65Å; K139-E143 IonicContact NZ-OE1 3.36Å; K139-E143 PolarHBondContact NZ-OE1 3.3Å; K139-E143 IonicContact NZ-OE2 3.45Å; E143-Y145 WeakPolarHBondContact CB-O 3.35Å; E143-G147 CarbonylContact C-O 3.51Å; E143-G147 WeakPolarHBondContact CA-O 3.45Å; E143-R205 PolarHBondContact O-NH1 2.87Å; E143-R205 PolarHBondContact O-NH2 3.23Å
144	C	92.2	Very high	95	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	88.7	163.9	-179.1	0	0	0	0	106.1	H146 G147 I149 I183 C204 Y217	C144-H146 PolarHBondContact O-N 2.97Å; C144-G147 PolarHBondContact N-O 2.71Å; C144-G147 PolarHBondContact O-N 3.46Å; C144-I149 HydrophobicContact CB-CD1 4.13Å; C144-I149 HydrophobicContact CB-CG1 3.84Å; C144-I183 HydrophobicContact CB-CD1 3.64Å; C144-C204 HydrophobicContact CB-CB 3.91Å; C144-C204 WeakPolarHBondContact CB-SG 3.05Å; C144-C204 WeakPolarHBondContact SG-CB 3.38Å; C144-C204 CovalentContact SG-SG 2.02Å; C144-C204 PolarHBondContact SG-SG 3.3Å; C144-Y217 WeakPolarHBondContact O-CD2 3.08Å
145	Y	88.8	Confident	95	Very high	34 Å²	34	49.1 Å²	49.1	13%	0.133	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-121.1	-167	-54.3	-79.9	0	0	0	111	E143 G147 Q202 F203 C204 Y217	E143-Y145 WeakPolarHBondContact CB-O 3.35Å; Y145-G147 VanDerWaalsContact C-N 3.33Å; Y145-Q202 HydrophobicContact CE1-CG 4.47Å; Y145-Q202 HydrophobicContact CE2-CB 3.72Å; Y145-Q202 HydrophobicContact CE2-CG 3.88Å; Y145-Q202 WeakPolarHBondContact OH-CG 2.94Å; Y145-F203 WeakPolarHBondContact CE2-O 3.04Å; Y145-F203 PolarHBondContact OH-O 2.86Å; Y145-C204 HydrophobicContact CD2-CB 4.13Å; Y145-C204 HydrophobicContact CE2-CB 3.72Å; Y145-Y217 HydrophobicContact CD2-CD1 4.49Å; Y145-Y217 HydrophobicContact CD2-CG 4.36Å
146	H	88.3	Confident	95.2	Very high	97 Å²	97	45.3 Å²	45.3	45%	0.449	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.8	178.9	-57.6	-80.6	0	0	0	113.5	C144 Y200 Y217	C144-H146 PolarHBondContact O-N 2.97Å; H146-Y200 PolarHBondContact CD2-OH 3.4Å; H146-Y217 HydrophobicContact CB-CE2 4.23Å
147	G	91.6	Very high	95.3	Very high	1 Å²	1	41 Å²	41	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	149.8	177.2	0	0	0	0	0	112.6	E143 C144 Y145	E143-G147 CarbonylContact C-O 3.51Å; E143-G147 WeakPolarHBondContact CA-O 3.45Å; C144-G147 PolarHBondContact N-O 2.71Å; C144-G147 PolarHBondContact O-N 3.46Å; Y145-G147 VanDerWaalsContact C-N 3.33Å
148	V	95.6	Very high	95.4	Very high	76 Å²	76	40.4 Å²	40.4	46%	0.461	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.7	173.9	177.6	0	0	0	0	109.9	V141 P150	V141-V148 HydrophobicContact CG1-CB 4.35Å; V141-V148 HydrophobicContact CG1-CG1 3.6Å; V141-V148 HydrophobicContact CG1-CG2 3.86Å; V148-P150 WeakPolarHBondContact O-CD 3.34Å
149	I	97.1	Very high	95.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-79.8	123.9	172.2	-60	175.8	0	0	0	108.6	L111 S142 C144 E151 L154 L181 I183 R205	L111-I149 HydrophobicContact CB-CG2 4.46Å; L111-I149 HydrophobicContact CD1-CG2 3.64Å; S142-I149 WeakPolarHBondContact O-CB 3Å; S142-I149 WeakPolarHBondContact O-CG1 3.44Å; S142-I149 PolarHBondContact O-N 3.15Å; C144-I149 HydrophobicContact CB-CD1 4.13Å; C144-I149 HydrophobicContact CB-CG1 3.84Å; I149-E151 PolarHBondContact O-N 3.38Å; I149-L154 HydrophobicContact CB-CD2 4.04Å; I149-L154 HydrophobicContact CG2-CD2 3.55Å; I149-L154 HydrophobicContact CG2-CG 4.12Å; I149-L181 HydrophobicContact CG2-CD2 3.95Å; I149-I183 HydrophobicContact CG1-CD1 4Å; I149-R205 HydrophobicContact CD1-CG 4.07Å
150	P	97.5	Very high	95.3	Very high	24 Å²	24	40.4 Å²	40.4	16%	0.156	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60	132.3	177	-26.2	35.1	0	0	0	113.1	V148 K152 Y153	V148-P150 WeakPolarHBondContact O-CD 3.34Å; P150-K152 HydrophobicContact CB-CG 4.22Å; P150-K152 PolarHBondContact O-N 3Å; P150-Y153 HydrophobicContact CB-CD2 3.83Å; P150-Y153 HydrophobicContact CB-CE2 4.07Å; P150-Y153 HydrophobicContact CG-CD2 4.03Å; P150-Y153 HydrophobicContact CG-CE2 4.06Å; P150-Y153 PolarHBondContact O-N 3.48Å
151	E	97.2	Very high	95.2	Very high	92 Å²	92	39.2 Å²	39.2	43%	0.43	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-49.9	-35.5	-178.9	-76.2	-67.5	141.7	0	0	114	R113 I149 Y153 L154	R113-E151 IonicContact CZ-OE2 3.65Å; R113-E151 IonicContact NH1-OE1 2.77Å; R113-E151 PolarHBondContact NH1-OE1 3.26Å; R113-E151 VanDerWaalsContact NH1-OE1 3.08Å; R113-E151 IonicContact NH1-OE2 3.09Å; R113-E151 PolarHBondContact NH1-OE2 3.23Å; R113-E151 VanDerWaalsContact NH1-OE2 3.13Å; R113-E151 IonicContact NH2-OE2 3.95Å; R113-E151 PolarHBondContact NH2-OE2 2.91Å; I149-E151 PolarHBondContact O-N 3.38Å; E151-Y153 PolarHBondContact O-N 2.92Å; E151-L154 HydrophobicContact CG-CD1 4.42Å; E151-L154 PolarHBondContact O-N 3.33Å; E151-L154 VanDerWaalsContact OE1-CD1 3.25Å; E151-L154 WeakPolarHBondContact OE1-CD1 3.12Å
152	K	97.5	Very high	94.9	Very high	111 Å²	111	44 Å²	44	48%	0.483	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-60	-14.7	177.7	71.1	-175.9	-178.3	-176.9	0	114.5	P150 G172 Q173 G174	P150-K152 HydrophobicContact CB-CG 4.22Å; P150-K152 PolarHBondContact O-N 3Å; K152-G172 CarbonylContact O-C 3.52Å; K152-G172 WeakPolarHBondContact O-CA 3.37Å; K152-Q173 PolarHBondContact O-N 3.45Å; K152-G174 PolarHBondContact O-N 3.21Å
153	Y	97.8	Very high	94.5	Very high	22 Å²	22	51.3 Å²	51.3	9%	0.086	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-104.4	-10.2	177.4	-57.2	-51.8	0	0	0	113.8	L111 P150 E151 M175 L181	L111-Y153 PolarHBondContact N-O 2.79Å; P150-Y153 HydrophobicContact CB-CD2 3.83Å; P150-Y153 HydrophobicContact CB-CE2 4.07Å; P150-Y153 HydrophobicContact CG-CD2 4.03Å; P150-Y153 HydrophobicContact CG-CE2 4.06Å; P150-Y153 PolarHBondContact O-N 3.48Å; E151-Y153 PolarHBondContact O-N 2.92Å; Y153-M175 HydrophobicContact CD1-CG 3.34Å; Y153-M175 HydrophobicContact CD1-SD 3.92Å; Y153-M175 HydrophobicContact CE1-CG 3.79Å; Y153-M175 HydrophobicContact CE1-SD 4.16Å; Y153-M175 HydrophobicContact CG-CG 4.03Å; Y153-M175 HydrophobicContact CG-SD 4.19Å; Y153-L181 HydrophobicContact CD2-CD1 4Å; Y153-L181 HydrophobicContact CD2-CD2 3.92Å; Y153-L181 HydrophobicContact CE2-CD1 3.68Å; Y153-L181 HydrophobicContact CE2-CD2 4.46Å
154	L	97.9	Very high	94.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-78.2	150.8	-174.4	-64.6	175.1	0	0	0	112.2	L111 R113 I149 E151 G172	L111-L154 HydrophobicContact CB-CD2 4.23Å; L111-L154 WeakPolarHBondContact O-CA 3.28Å; R113-L154 HydrophobicContact CG-CB 4.35Å; R113-L154 HydrophobicContact CG-CD1 4.46Å; R113-L154 HydrophobicContact CG-CD2 4.44Å; I149-L154 HydrophobicContact CB-CD2 4.04Å; I149-L154 HydrophobicContact CG2-CD2 3.55Å; I149-L154 HydrophobicContact CG2-CG 4.12Å; E151-L154 HydrophobicContact CG-CD1 4.42Å; E151-L154 PolarHBondContact O-N 3.33Å; E151-L154 VanDerWaalsContact OE1-CD1 3.25Å; E151-L154 WeakPolarHBondContact OE1-CD1 3.12Å; L154-G172 PolarHBondContact O-N 2.77Å
155	D	96.8	Very high	94.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.277	C	S	.	.			trans	-84.2	-179.2	167.4	-149.2	-14.6	0	0	0	111	H51 L111 R113 Y158 R171	H51-D155 IonicContact NE2-OD2 3.19Å; H51-D155 PolarHBondContact NE2-OD2 3.45Å; L111-D155 PolarHBondContact O-N 3.48Å; R113-D155 PolarHBondContact NE-O 2.84Å; D155-Y158 HydrophobicContact CB-CE2 3.99Å; D155-Y158 PolarHBondContact OD1-OH 2.74Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.24Å; D155-Y158 PolarHBondContact OD2-OH 3.33Å; D155-Y158 VanDerWaalsContact OD2-OH 3.08Å; D155-R171 IonicContact OD1-CZ 3.48Å; D155-R171 IonicContact OD1-NE 2.71Å; D155-R171 PolarHBondContact OD1-NE 2.86Å; D155-R171 IonicContact OD1-NH2 2.91Å; D155-R171 PolarHBondContact OD1-NH2 2.86Å; D155-R171 IonicContact OD2-NH2 2.79Å
156	Y	97.4	Very high	94.9	Very high	69 Å²	69	59.7 Å²	59.7	27%	0.271	29%	0.287	S	S	.	.			trans	-58.5	160.7	167.7	-59.8	-66.3	0	0	0	111.6	Y158 E169 R171	Y156-Y158 VanDerWaalsContact O-CD2 3.25Å; Y156-Y158 WeakPolarHBondContact O-CD2 3.05Å; Y156-Y158 WeakPolarHBondContact O-CE2 3.47Å; Y156-E169 WeakPolarHBondContact CD1-O 3.38Å; Y156-R171 HydrophobicContact CD1-CB 3.84Å; Y156-R171 HydrophobicContact CD2-CB 4.17Å; Y156-R171 HydrophobicContact CE1-CB 3.48Å; Y156-R171 VanDerWaalsContact CE1-CB 3.48Å; Y156-R171 HydrophobicContact CE2-CB 3.86Å; Y156-R171 HydrophobicContact CE2-CG 4.49Å; Y156-R171 HydrophobicContact CG-CB 4.16Å; Y156-R171 VanDerWaalsContact CZ-CB 3.47Å
157	C	97.5	Very high	95.3	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.7	161.8	178.3	0	0	0	0	109.5	C138 I167 S168 E169	C138-C157 HydrophobicContact CB-CB 3.77Å; C138-C157 WeakPolarHBondContact CB-SG 3.19Å; C138-C157 WeakPolarHBondContact SG-CA 3.33Å; C138-C157 WeakPolarHBondContact SG-CB 2.94Å; C138-C157 CovalentContact SG-SG 2.03Å; C138-C157 PolarHBondContact SG-SG 2.97Å; C157-I167 WeakPolarHBondContact O-CA 3.47Å; C157-S168 WeakPolarHBondContact CB-OG 3.46Å; C157-S168 PolarHBondContact N-O 2.96Å; C157-S168 PolarHBondContact O-N 2.82Å; C157-E169 HydrophobicContact CB-CB 4.31Å; C157-E169 HydrophobicContact CB-CG 3.9Å
158	Y	97.4	Very high	95.5	Very high	6 Å²	6	62 Å²	62	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.8	-179.5	-65.2	-79.1	0	0	0	110.2	N49 H51 F112 Y131 R132 Y133 C134 D155 Y156 I167 R171	N49-Y158 HydrophobicContact CB-CE2 4.28Å; N49-Y158 WeakPolarHBondContact ND2-CD2 3.28Å; N49-Y158 VanDerWaalsContact ND2-CE2 3.33Å; N49-Y158 WeakPolarHBondContact ND2-CE2 3Å; N49-Y158 VanDerWaalsContact ND2-CG 3.28Å; H51-Y158 AromaticContact CE1-CZ 3.77Å; H51-Y158 PolarHBondContact CE1-OH 3.34Å; H51-Y158 PolarHBondContact NE2-OH 3.3Å; H51-Y158 VanDerWaalsContact NE2-OH 3.11Å; F112-Y158 HydrophobicContact CD2-CD2 4.18Å; F112-Y158 AromaticContact CE2-CD2 3.77Å; F112-Y158 HydrophobicContact CE2-CD2 3.77Å; F112-Y158 HydrophobicContact CE2-CG 4.38Å; Y131-Y158 HydrophobicContact CD2-CD1 4.41Å; Y131-Y158 AromaticContact CE2-CD1 3.45Å; Y131-Y158 HydrophobicContact CE2-CD1 3.45Å; Y131-Y158 VanDerWaalsContact CE2-CD1 3.45Å; Y131-Y158 HydrophobicContact CE2-CE1 4.11Å; Y131-Y158 HydrophobicContact CE2-CG 4.33Å; Y131-Y158 AromaticContact CZ-CD1 3.7Å; R132-Y158 VanDerWaalsContact O-CB 3.32Å; R132-Y158 WeakPolarHBondContact O-CB 2.96Å; Y133-Y158 CarbonylContact C-O 3.6Å; Y133-Y158 WeakPolarHBondContact CA-O 3.28Å; Y133-Y158 WeakPolarHBondContact CB-O 3.4Å; C134-Y158 PolarHBondContact N-O 3.24Å; D155-Y158 HydrophobicContact CB-CE2 3.99Å; D155-Y158 PolarHBondContact OD1-OH 2.74Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.24Å; D155-Y158 PolarHBondContact OD2-OH 3.33Å; D155-Y158 VanDerWaalsContact OD2-OH 3.08Å; Y156-Y158 VanDerWaalsContact O-CD2 3.25Å; Y156-Y158 WeakPolarHBondContact O-CD2 3.05Å; Y156-Y158 WeakPolarHBondContact O-CE2 3.47Å; Y158-I167 HydrophobicContact CD1-CG2 3.66Å; Y158-I167 HydrophobicContact CE1-CG2 3.59Å; Y158-R171 PolarHBondContact OH-NH2 2.94Å
159	T	97.1	Very high	95.4	Very high	18 Å²	18	64 Å²	64	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	173.5	-178.5	55.8	0	0	0	0	110.4	Y131 K166	Y131-T159 PolarHBondContact OH-N 2.62Å; Y131-T159 PolarHBondContact OH-O 3.14Å; Y131-T159 VanDerWaalsContact OH-O 3.06Å; T159-K166 PolarHBondContact N-O 3.25Å; T159-K166 PolarHBondContact O-N 3.32Å; T159-K166 PolarHBondContact OG1-O 2.83Å
160	L	94.8	Very high	95.3	Very high	55 Å²	55	71.5 Å²	71.5	29%	0.288	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.7	166.9	-65.9	-179.9	0	0	0	110.2	K123 Y131 Y133 Q164	K123-L160 HydrophobicContact CD-CD1 4.01Å; K123-L160 HydrophobicContact CD-CD2 3.88Å; Y131-L160 HydrophobicContact CD1-CD2 4.26Å; Y131-L160 HydrophobicContact CE1-CD2 3.96Å; Y133-L160 HydrophobicContact CD1-CD1 4.38Å; Y133-L160 HydrophobicContact CD1-CG 4.3Å; Y133-L160 HydrophobicContact CD2-CB 4.45Å; Y133-L160 HydrophobicContact CD2-CD1 4.1Å; Y133-L160 HydrophobicContact CD2-CG 3.73Å; Y133-L160 HydrophobicContact CE1-CD1 3.8Å; Y133-L160 HydrophobicContact CE1-CG 4.21Å; Y133-L160 HydrophobicContact CE2-CB 4.32Å; Y133-L160 HydrophobicContact CE2-CD1 3.45Å; Y133-L160 VanDerWaalsContact CE2-CD1 3.45Å; Y133-L160 HydrophobicContact CE2-CG 3.61Å; Y133-L160 HydrophobicContact CG-CG 4.08Å; Y133-L160 WeakPolarHBondContact OH-CD1 3.39Å; L160-Q164 WeakPolarHBondContact CA-O 3.41Å
161	E	92.6	Very high	95.2	Very high	91 Å²	91	73.7 Å²	73.7	43%	0.425	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.3	170.4	176.4	167.9	-120.5	0	0	107.9	E163 Q164 K166	E161-E163 PolarHBondContact O-N 3.39Å; E161-Q164 PolarHBondContact N-O 3.45Å; E161-Q164 WeakPolarHBondContact O-CB 3.23Å; E161-Q164 PolarHBondContact O-N 2.82Å; E161-K166 HydrophobicContact CB-CB 4.15Å; E161-K166 HydrophobicContact CB-CD 3.88Å; E161-K166 IonicContact OE1-NZ 2.75Å; E161-K166 PolarHBondContact OE1-NZ 3.31Å; E161-K166 VanDerWaalsContact OE2-CD 3.25Å; E161-K166 WeakPolarHBondContact OE2-CD 3.46Å; E161-K166 VanDerWaalsContact OE2-CE 3.28Å; E161-K166 WeakPolarHBondContact OE2-CE 3.41Å; E161-K166 IonicContact OE2-NZ 3.65Å; E161-K166 PolarHBondContact OE2-NZ 2.84Å
162	H	90.5	Very high	95.1	Very high	172 Å²	172	70.4 Å²	70.4	80%	0.796	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	46.1	-171.8	-50.4	107.1	0	0	0	112.7	Q164	H162-Q164 PolarHBondContact O-N 2.04Å
163	E	87.4	Confident	95.1	Very high	155 Å²	155	71 Å²	71	72%	0.724	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	3.6	-173.9	-52.4	-170.1	154.5	0	0	115.6	K123 E161	K123-E163 PolarHBondContact NZ-O 2.04Å; E161-E163 PolarHBondContact O-N 3.39Å
164	Q	92.9	Very high	95	Very high	124 Å²	124	70.2 Å²	70.2	58%	0.579	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.9	177.8	-61.8	-54.7	-36.3	0	0	112.3	L160 E161 H162 K166	L160-Q164 WeakPolarHBondContact CA-O 3.41Å; E161-Q164 PolarHBondContact N-O 3.45Å; E161-Q164 WeakPolarHBondContact O-CB 3.23Å; E161-Q164 PolarHBondContact O-N 2.82Å; H162-Q164 PolarHBondContact O-N 2.04Å; Q164-K166 PolarHBondContact O-N 3.46Å
165	P	93.7	Very high	94.9	Very high	53 Å²	53	70.4 Å²	70.4	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	123.6	173.9	-26.7	37.3	0	0	0	112.2	L125 Y131	L125-P165 HydrophobicContact CD1-CG 4.28Å; L125-P165 HydrophobicContact CD2-CG 3.55Å; Y131-P165 HydrophobicContact CD2-CB 4.3Å; Y131-P165 HydrophobicContact CE1-CB 4.04Å; Y131-P165 HydrophobicContact CE2-CB 3.78Å
166	K	95.5	Very high	94.8	Very high	81 Å²	81	75.6 Å²	75.6	35%	0.352	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.6	172.9	-179.6	-176.5	-166.1	157.9	0	109.4	Y131 T159 E161 Q164	Y131-K166 PolarHBondContact OH-N 2.64Å; Y131-K166 PolarHBondContact OH-O 2.04Å; T159-K166 PolarHBondContact N-O 3.25Å; T159-K166 PolarHBondContact O-N 3.32Å; T159-K166 PolarHBondContact OG1-O 2.83Å; E161-K166 HydrophobicContact CB-CB 4.15Å; E161-K166 HydrophobicContact CB-CD 3.88Å; E161-K166 IonicContact OE1-NZ 2.75Å; E161-K166 PolarHBondContact OE1-NZ 3.31Å; E161-K166 VanDerWaalsContact OE2-CD 3.25Å; E161-K166 WeakPolarHBondContact OE2-CD 3.46Å; E161-K166 VanDerWaalsContact OE2-CE 3.28Å; E161-K166 WeakPolarHBondContact OE2-CE 3.41Å; E161-K166 IonicContact OE2-NZ 3.65Å; E161-K166 PolarHBondContact OE2-NZ 2.84Å; Q164-K166 PolarHBondContact O-N 3.46Å
167	I	95.4	Very high	94.7	Very high	99 Å²	99	73 Å²	73	51%	0.508	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.1	171.8	62.7	173.6	0	0	0	109.9	C157 Y158	C157-I167 WeakPolarHBondContact O-CA 3.47Å; Y158-I167 HydrophobicContact CD1-CG2 3.66Å; Y158-I167 HydrophobicContact CE1-CG2 3.59Å
168	S	95.9	Very high	94.7	Very high	48 Å²	48	73 Å²	73	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	-179.3	174.2	53.7	0	0	0	0	109.8	C157	C157-S168 WeakPolarHBondContact CB-OG 3.46Å; C157-S168 PolarHBondContact N-O 2.96Å; C157-S168 PolarHBondContact O-N 2.82Å
169	E	94.4	Very high	94.7	Very high	118 Å²	118	74.2 Å²	74.2	55%	0.551	36%	0.362	S	S	*	.	S	Bend	trans	60.8	178.6	-172.7	-59	-60.3	155.3	0	0	113.5	Y156 C157	Y156-E169 WeakPolarHBondContact CD1-O 3.38Å; C157-E169 HydrophobicContact CB-CB 4.31Å; C157-E169 HydrophobicContact CB-CG 3.9Å
170	H	94.3	Very high	94.8	Very high	159 Å²	159	73.3 Å²	73.3	74%	0.736	36%	0.357	S	S	*	.			trans	-101.6	144.1	173.1	-62.9	-37.4	0	0	0	111.4	R113	R113-H170 PolarHBondContact NH2-O 2.81Å
171	R	94.9	Very high	95	Very high	70 Å²	70	70.7 Å²	70.7	26%	0.264	34%	0.343	S	S	.	.			trans	-84.5	134	171.1	173	-176.8	-76.4	178.4	-1.3	109.1	H51 Y110 D155 Y156 Y158	H51-R171 PolarHBondContact CD2-NH2 3Å; H51-R171 PolarHBondContact CE1-NH2 3.26Å; H51-R171 VanDerWaalsContact CE1-NH2 3.32Å; H51-R171 PolarHBondContact NE2-NH2 2.85Å; Y110-R171 HydrophobicContact CD1-CG 3.55Å; Y110-R171 VanDerWaalsContact CE1-CD 3.5Å; Y110-R171 HydrophobicContact CE1-CG 3.5Å; Y110-R171 VanDerWaalsContact CE1-CG 3.5Å; Y110-R171 HydrophobicContact CG-CG 4.31Å; D155-R171 IonicContact OD1-CZ 3.48Å; D155-R171 IonicContact OD1-NE 2.71Å; D155-R171 PolarHBondContact OD1-NE 2.86Å; D155-R171 IonicContact OD1-NH2 2.91Å; D155-R171 PolarHBondContact OD1-NH2 2.86Å; D155-R171 IonicContact OD2-NH2 2.79Å; Y156-R171 HydrophobicContact CD1-CB 3.84Å; Y156-R171 HydrophobicContact CD2-CB 4.17Å; Y156-R171 HydrophobicContact CE1-CB 3.48Å; Y156-R171 VanDerWaalsContact CE1-CB 3.48Å; Y156-R171 HydrophobicContact CE2-CB 3.86Å; Y156-R171 HydrophobicContact CE2-CG 4.49Å; Y156-R171 HydrophobicContact CG-CB 4.16Å; Y156-R171 VanDerWaalsContact CZ-CB 3.47Å; Y158-R171 PolarHBondContact OH-NH2 2.94Å
172	G	96.5	Very high	95.2	Very high	22 Å²	22	66.4 Å²	66.4	23%	0.227	32%	0.323	C	S	.	.			trans	-74.8	-170.2	177	0	0	0	0	0	114.1	Y110 K152 L154 G174	Y110-G172 WeakPolarHBondContact CE1-O 3.43Å; K152-G172 CarbonylContact O-C 3.52Å; K152-G172 WeakPolarHBondContact O-CA 3.37Å; L154-G172 PolarHBondContact O-N 2.77Å; G172-G174 PolarHBondContact O-N 3.03Å
173	Q	96.4	Very high	95.6	Very high	124 Å²	124	58.2 Å²	58.2	58%	0.579	29%	0.285	S	S	*	.			trans	-65.5	-25.1	174	-168.2	-178.2	30.8	0	0	113	R108 K152	R108-Q173 WeakPolarHBondContact CD-O 3.34Å; R108-Q173 PolarHBondContact NE-O 2.6Å; R108-Q173 VanDerWaalsContact NE-O 3.16Å; K152-Q173 PolarHBondContact O-N 3.45Å
174	G	95.2	Very high	96	Very high	6 Å²	6	50.8 Å²	50.8	6%	0.062	25%	0.251	C	S	.	.			trans	69.8	-179.7	-174.5	0	0	0	0	0	113.2	I109 K152 G172	I109-G174 CarbonylContact O-C 3.45Å; I109-G174 WeakPolarHBondContact O-CA 3.5Å; K152-G174 PolarHBondContact O-N 3.21Å; G172-G174 PolarHBondContact O-N 3.03Å
175	M	96.1	Very high	95.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-116.5	161.3	179.2	-46.4	-164.7	-45.5	0	0	111.4	I67 R108 I109 Y153 H179 L181 I214	I67-M175 HydrophobicContact CD1-SD 4.5Å; R108-M175 CarbonylContact C-O 3.38Å; R108-M175 WeakPolarHBondContact CA-O 3.34Å; R108-M175 WeakPolarHBondContact CB-O 3.36Å; I109-M175 HydrophobicContact CD1-CB 4.19Å; I109-M175 HydrophobicContact CD1-CE 3.68Å; I109-M175 HydrophobicContact CG1-CB 3.75Å; I109-M175 HydrophobicContact CG1-CE 4.22Å; I109-M175 PolarHBondContact N-O 2.71Å; I109-M175 PolarHBondContact O-N 2.94Å; Y153-M175 HydrophobicContact CD1-CG 3.34Å; Y153-M175 HydrophobicContact CD1-SD 3.92Å; Y153-M175 HydrophobicContact CE1-CG 3.79Å; Y153-M175 HydrophobicContact CE1-SD 4.16Å; Y153-M175 HydrophobicContact CG-CG 4.03Å; Y153-M175 HydrophobicContact CG-SD 4.19Å; M175-H179 HydrophobicContact CB-CB 3.95Å; M175-H179 HydrophobicContact CE-CB 4.01Å; M175-H179 HydrophobicContact SD-CB 4.45Å; M175-L181 HydrophobicContact CE-CB 4.21Å; M175-L181 HydrophobicContact SD-CB 3.81Å; M175-I214 WeakPolarHBondContact CE-O 3.14Å
176	K	95.9	Very high	95.7	Very high	109 Å²	109	42.9 Å²	42.9	47%	0.474	21%	0.21	S	C	.	.			trans	-73.7	153.4	170.3	-56.6	-177.8	-179.6	175.3	0	109.4	N178 H179	K176-N178 PolarHBondContact O-N 3.05Å; K176-H179 PolarHBondContact N-ND1 3.08Å; K176-H179 VanDerWaalsContact O-CB 3.27Å; K176-H179 WeakPolarHBondContact O-CB 3.29Å; K176-H179 PolarHBondContact O-N 3.02Å
177	F	94	Very high	95	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.066	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.7	-176.9	79.3	-94.9	0	0	0	114.9	F60 K62 V101 M103 K106 H179 R212	F60-F177 HydrophobicContact CB-CZ 4.16Å; K62-F177 HydrophobicContact CB-CE1 4.41Å; K62-F177 HydrophobicContact CB-CE2 4.01Å; K62-F177 HydrophobicContact CB-CZ 3.52Å; K62-F177 HydrophobicContact CD-CE1 4.31Å; K62-F177 HydrophobicContact CD-CZ 4.21Å; V101-F177 HydrophobicContact CG1-CD2 4.17Å; M103-F177 HydrophobicContact CB-CB 4.3Å; M103-F177 HydrophobicContact CB-CD2 3.42Å; M103-F177 VanDerWaalsContact CB-CD2 3.42Å; M103-F177 HydrophobicContact CB-CE2 3.95Å; M103-F177 HydrophobicContact CB-CG 4.06Å; M103-F177 HydrophobicContact CE-CB 3.76Å; M103-F177 HydrophobicContact CE-CD2 4.38Å; M103-F177 WeakPolarHBondContact CE-O 3.47Å; M103-F177 HydrophobicContact CG-CB 3.97Å; M103-F177 HydrophobicContact CG-CD2 4.06Å; M103-F177 HydrophobicContact CG-CG 4.25Å; K106-F177 HydrophobicContact CG-CE1 4.34Å; F177-H179 VanDerWaalsContact C-N 3.34Å; F177-R212 PolarHBondContact O-NH2 3.05Å
178	N	97.3	Very high	94.2	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.032	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	6.2	-179.6	71.9	-63.1	0	0	0	113.6	K62 R63 K65 V101 K176	K62-N178 HydrophobicContact CB-CB 3.96Å; K62-N178 HydrophobicContact CD-CB 4.29Å; K62-N178 HydrophobicContact CG-CB 4.14Å; R63-N178 PolarHBondContact O-ND2 3.09Å; K65-N178 PolarHBondContact N-O 3.29Å; V101-N178 HydrophobicContact CB-CB 4.08Å; V101-N178 HydrophobicContact CG2-CB 4.28Å; K176-N178 PolarHBondContact O-N 3.05Å
179	H	98.3	Very high	92.9	Very high	30 Å²	30	40.5 Å²	40.5	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	152.6	-179.1	-65	-172.7	0	0	0	111.8	K65 I67 M175 K176 F177 R212	K65-H179 CarbonylContact O-C 3.49Å; K65-H179 VanDerWaalsContact O-CA 3.22Å; K65-H179 WeakPolarHBondContact O-CA 3.18Å; I67-H179 HydrophobicContact CD1-CB 4.08Å; I67-H179 VanDerWaalsContact CD1-ND1 3.32Å; I67-H179 WeakPolarHBondContact CD1-ND1 3.38Å; M175-H179 HydrophobicContact CB-CB 3.95Å; M175-H179 HydrophobicContact CE-CB 4.01Å; M175-H179 HydrophobicContact SD-CB 4.45Å; K176-H179 PolarHBondContact N-ND1 3.08Å; K176-H179 VanDerWaalsContact O-CB 3.27Å; K176-H179 WeakPolarHBondContact O-CB 3.29Å; K176-H179 PolarHBondContact O-N 3.02Å; F177-H179 VanDerWaalsContact C-N 3.34Å; H179-R212 PolarHBondContact O-NH1 2.9Å; H179-R212 PolarHBondContact O-NH2 3.13Å
180	L	98.6	Very high	91.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.1	167.5	171.8	70.6	0	0	0	107.7	L64 K65 V66 I67 L243 V246 L247	L64-L180 HydrophobicContact CD1-CB 4.14Å; K65-L180 PolarHBondContact O-N 3.07Å; V66-L180 HydrophobicContact CG1-CD2 4.34Å; V66-L180 HydrophobicContact CG2-CD2 4.22Å; I67-L180 PolarHBondContact N-O 2.88Å; L180-L243 HydrophobicContact CD2-CD1 3.84Å; L180-V246 HydrophobicContact CD1-CG1 4.1Å; L180-V246 HydrophobicContact CD2-CG1 4.03Å; L180-L247 HydrophobicContact CD2-CD2 3.67Å; L180-L247 HydrophobicContact CD2-CG 4.24Å
181	L	98.6	Very high	90	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.4	170	177.7	65.2	0	0	0	108.8	H69 L111 I149 Y153 M175 I183 I214 A215 G216	H69-L181 HydrophobicContact CB-CD1 3.99Å; L111-L181 HydrophobicContact CD1-CB 4.41Å; L111-L181 HydrophobicContact CD1-CD2 3.6Å; I149-L181 HydrophobicContact CG2-CD2 3.95Å; Y153-L181 HydrophobicContact CD2-CD1 4Å; Y153-L181 HydrophobicContact CD2-CD2 3.92Å; Y153-L181 HydrophobicContact CE2-CD1 3.68Å; Y153-L181 HydrophobicContact CE2-CD2 4.46Å; M175-L181 HydrophobicContact CE-CB 4.21Å; M175-L181 HydrophobicContact SD-CB 3.81Å; L181-I183 HydrophobicContact CD2-CD1 4.28Å; L181-I183 HydrophobicContact CD2-CG1 4.33Å; L181-I183 HydrophobicContact CG-CG1 4.19Å; L181-I214 PolarHBondContact N-O 3.31Å; L181-A215 HydrophobicContact CB-CB 3.93Å; L181-A215 HydrophobicContact CD2-CB 4.34Å; L181-A215 HydrophobicContact CG-CB 4.48Å; L181-A215 WeakPolarHBondContact O-CA 3.43Å; L181-G216 PolarHBondContact O-N 2.85Å
182	Y	98.2	Very high	88.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	102.4	-179.3	-171.8	-158.7	0	0	0	109.8	V66 I67 P68 H69 I92 I184 T218 M239 L243 V246	V66-Y182 HydrophobicContact CG1-CD1 3.86Å; V66-Y182 HydrophobicContact CG1-CG 4.12Å; I67-Y182 PolarHBondContact O-N 2.78Å; P68-Y182 CarbonylContact C-O 3.58Å; P68-Y182 WeakPolarHBondContact CA-O 3.4Å; H69-Y182 PolarHBondContact N-O 2.79Å; I92-Y182 HydrophobicContact CD1-CD1 4.32Å; I92-Y182 HydrophobicContact CG1-CD1 4.36Å; Y182-I184 HydrophobicContact CD1-CD1 3.92Å; Y182-I184 HydrophobicContact CD1-CG1 4.04Å; Y182-I184 HydrophobicContact CD2-CG1 4.3Å; Y182-I184 HydrophobicContact CE1-CD1 4.15Å; Y182-I184 HydrophobicContact CE1-CG1 4.21Å; Y182-I184 HydrophobicContact CE2-CG1 4.43Å; Y182-I184 HydrophobicContact CG-CD1 4.39Å; Y182-I184 HydrophobicContact CG-CG1 4.1Å; Y182-T218 WeakPolarHBondContact CE2-OG1 3.36Å; Y182-T218 WeakPolarHBondContact OH-CB 3.11Å; Y182-T218 PolarHBondContact OH-OG1 3.43Å; Y182-M239 HydrophobicContact CD1-CE 4.27Å; Y182-M239 HydrophobicContact CE1-CE 3.29Å; Y182-M239 HydrophobicContact CE1-SD 4.31Å; Y182-M239 VanDerWaalsContact CZ-CE 3.47Å; Y182-M239 VanDerWaalsContact OH-CE 3.27Å; Y182-M239 WeakPolarHBondContact OH-CE 3.49Å; Y182-M239 PolarHBondContact OH-SD 2.87Å; Y182-M239 VanDerWaalsContact OH-SD 3.32Å; Y182-L243 HydrophobicContact CD1-CD1 3.91Å; Y182-L243 HydrophobicContact CD1-CD2 4.38Å; Y182-L243 HydrophobicContact CD2-CD1 4.48Å; Y182-L243 HydrophobicContact CE1-CB 4.06Å; Y182-L243 HydrophobicContact CE1-CD1 3.79Å; Y182-L243 HydrophobicContact CE1-CD2 4.06Å; Y182-L243 HydrophobicContact CE1-CG 4.19Å; Y182-L243 HydrophobicContact CE2-CD1 4.4Å; Y182-L243 HydrophobicContact CG-CD1 4.25Å; Y182-V246 HydrophobicContact CD2-CG1 4.47Å; Y182-V246 HydrophobicContact CD2-CG2 4.35Å; Y182-V246 HydrophobicContact CE2-CG2 3.87Å
183	I	97.4	Very high	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.3	179.5	-59.1	167.4	0	0	0	108.1	H69 T71 C144 I149 L181 G216 Y217 T218	H69-I183 HydrophobicContact CB-CG1 4.32Å; H69-I183 CarbonylContact O-C 3.53Å; H69-I183 WeakPolarHBondContact O-CA 3.37Å; T71-I183 HydrophobicContact CG2-CG2 3.93Å; C144-I183 HydrophobicContact CB-CD1 3.64Å; I149-I183 HydrophobicContact CG1-CD1 4Å; L181-I183 HydrophobicContact CD2-CD1 4.28Å; L181-I183 HydrophobicContact CD2-CG1 4.33Å; L181-I183 HydrophobicContact CG-CG1 4.19Å; I183-G216 PolarHBondContact N-O 3.14Å; I183-Y217 HydrophobicContact CB-CD2 4.27Å; I183-Y217 HydrophobicContact CG2-CD2 3.92Å; I183-Y217 HydrophobicContact CG2-CE2 4.43Å; I183-Y217 CarbonylContact O-C 3.56Å; I183-Y217 VanDerWaalsContact O-CA 3.31Å; I183-Y217 WeakPolarHBondContact O-CA 3.41Å; I183-T218 PolarHBondContact O-N 3.18Å
184	I	95.7	Very high	84.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.2	-172.1	-50.7	168	0	0	0	108.4	P68 H69 Y70 T71 I74 I88 Y182 T218 M239	P68-I184 HydrophobicContact CB-CD1 3.85Å; H69-I184 PolarHBondContact O-N 3.09Å; Y70-I184 HydrophobicContact CD1-CB 4.35Å; Y70-I184 HydrophobicContact CD1-CD1 4.36Å; Y70-I184 HydrophobicContact CE1-CD1 3.94Å; T71-I184 PolarHBondContact N-O 2.93Å; T71-I184 PolarHBondContact OG1-O 3.35Å; I74-I184 HydrophobicContact CD1-CG2 3.72Å; I74-I184 WeakPolarHBondContact CG2-O 3.46Å; I88-I184 HydrophobicContact CD1-CD1 4.26Å; I88-I184 HydrophobicContact CD1-CG2 3.92Å; I88-I184 HydrophobicContact CG2-CD1 3.42Å; I88-I184 VanDerWaalsContact CG2-CD1 3.42Å; Y182-I184 HydrophobicContact CD1-CD1 3.92Å; Y182-I184 HydrophobicContact CD1-CG1 4.04Å; Y182-I184 HydrophobicContact CD2-CG1 4.3Å; Y182-I184 HydrophobicContact CE1-CD1 4.15Å; Y182-I184 HydrophobicContact CE1-CG1 4.21Å; Y182-I184 HydrophobicContact CE2-CG1 4.43Å; Y182-I184 HydrophobicContact CG-CD1 4.39Å; Y182-I184 HydrophobicContact CG-CG1 4.1Å; I184-T218 WeakPolarHBondContact CA-O 3.39Å; I184-M239 HydrophobicContact CB-CE 4.44Å; I184-M239 HydrophobicContact CD1-CE 3.56Å; I184-M239 HydrophobicContact CG1-CE 3.8Å; I184-M239 HydrophobicContact CG2-CE 3.77Å
185	D	92	Very high	82.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	165.8	-171	-156.3	-0.5	0	0	0	111.7	T71 A73 Q187 Y217 T218 N219 L220	T71-D185 WeakPolarHBondContact CB-OD1 3.33Å; T71-D185 HydrophobicContact CG2-CB 3.82Å; T71-D185 WeakPolarHBondContact OG1-CA 3.25Å; T71-D185 VanDerWaalsContact OG1-CG 3.3Å; T71-D185 PolarHBondContact OG1-OD1 3.15Å; A73-D185 WeakPolarHBondContact CB-OD1 3.31Å; D185-Q187 PolarHBondContact OD2-NE2 3.22Å; D185-Y217 HydrophobicContact CB-CE2 3.5Å; D185-Y217 WeakPolarHBondContact CB-OH 3.33Å; D185-Y217 VanDerWaalsContact CG-OH 3.26Å; D185-Y217 WeakPolarHBondContact OD2-CE2 3.5Å; D185-Y217 PolarHBondContact OD2-OH 2.91Å; D185-T218 PolarHBondContact N-O 2.95Å; D185-N219 WeakPolarHBondContact O-CA 3.01Å; D185-L220 PolarHBondContact O-N 3.45Å
186	S	88.5	Confident	80.9	Confident	11 Å²	11	41.2 Å²	41.2	8%	0.077	22%	0.223	C	C	.	.			trans	-151	85.2	175	-166.4	0	0	0	0	110.8	N219 L220 P222	S186-N219 WeakPolarHBondContact CA-OD1 3.39Å; S186-N219 PolarHBondContact N-OD1 2.82Å; S186-L220 VanDerWaalsContact CA-O 3.25Å; S186-L220 WeakPolarHBondContact CA-O 3.39Å; S186-L220 WeakPolarHBondContact CB-O 3.45Å; S186-L220 PolarHBondContact OG-O 2.92Å; S186-P222 WeakPolarHBondContact OG-CB 3.47Å
187	Q	82.1	Confident	79	Confident	69 Å²	69	36 Å²	36	32%	0.322	20%	0.2	S	C	.	.			trans	-117	143.5	178.7	-60.2	-169.9	48.1	0	0	110.7	A73 D185 I189 N219	A73-Q187 HydrophobicContact CB-CG 3.98Å; D185-Q187 PolarHBondContact OD2-NE2 3.22Å; Q187-I189 HydrophobicContact CB-CG2 4Å; Q187-I189 PolarHBondContact O-N 3.27Å; Q187-I189 VanDerWaalsContact O-N 3.09Å; Q187-N219 PolarHBondContact N-OD1 3.18Å; Q187-N219 PolarHBondContact O-ND2 3.18Å; Q187-N219 VanDerWaalsContact O-ND2 3.13Å
188	T	77.7	Confident	77.3	Confident	79 Å²	79	36.9 Å²	36.9	49%	0.485	21%	0.207	S	C	.	.			trans	-80	87.1	171.9	-58.2	0	0	0	0	109.3	P222	T188-P222 WeakPolarHBondContact OG1-CG 3.31Å
189	I	68.1	Low	75.9	Confident	29 Å²	29	36.6 Å²	36.6	15%	0.149	21%	0.205	C	C	.	.			trans	-99.8	173.3	177.5	62.7	157	0	0	0	112	Q187 L191 C192 Y200	Q187-I189 HydrophobicContact CB-CG2 4Å; Q187-I189 PolarHBondContact O-N 3.27Å; Q187-I189 VanDerWaalsContact O-N 3.09Å; I189-L191 HydrophobicContact CD1-CB 3.86Å; I189-L191 HydrophobicContact CD1-CD1 3.79Å; I189-L191 HydrophobicContact CD1-CG 4.12Å; I189-L191 HydrophobicContact CG1-CB 4.19Å; I189-L191 PolarHBondContact O-N 3.21Å; I189-C192 WeakPolarHBondContact O-CB 3.31Å; I189-C192 PolarHBondContact O-N 3.05Å; I189-Y200 HydrophobicContact CD1-CD1 4.02Å; I189-Y200 HydrophobicContact CD1-CE1 3.17Å; I189-Y200 HydrophobicContact CG1-CE1 4.24Å
190	S	66	Low	74.9	Confident	92 Å²	92	35.2 Å²	35.2	64%	0.643	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-54.3	-37.1	-179.6	56.9	0	0	0	0	113.4	C192 R193	S190-C192 VanDerWaalsContact C-N 3.28Å; S190-C192 PolarHBondContact O-N 2.53Å; S190-R193 WeakPolarHBondContact O-CB 3.38Å; S190-R193 PolarHBondContact O-N 2.98Å
191	L	62.7	Low	74.2	Confident	39 Å²	39	35.2 Å²	35.2	20%	0.204	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-61.9	-35	176.3	-68	167	0	0	0	112.3	K38 I189 R193 S194 T197 Y200	K38-L191 HydrophobicContact CB-CD2 3.87Å; K38-L191 HydrophobicContact CD-CD2 3.36Å; K38-L191 HydrophobicContact CG-CD2 4.25Å; I189-L191 HydrophobicContact CD1-CB 3.86Å; I189-L191 HydrophobicContact CD1-CD1 3.79Å; I189-L191 HydrophobicContact CD1-CG 4.12Å; I189-L191 HydrophobicContact CG1-CB 4.19Å; I189-L191 PolarHBondContact O-N 3.21Å; L191-R193 PolarHBondContact O-N 3.39Å; L191-S194 PolarHBondContact O-N 3.46Å; L191-S194 PolarHBondContact O-OG 2.99Å; L191-T197 HydrophobicContact CB-CG2 4.38Å; L191-T197 VanDerWaalsContact O-CB 3.3Å; L191-T197 WeakPolarHBondContact O-CB 3.41Å; L191-Y200 HydrophobicContact CD1-CD1 4Å; L191-Y200 HydrophobicContact CD1-CE1 4.24Å; L191-Y200 HydrophobicContact CD1-CG 4.23Å
192	C	65.1	Low	73.6	Confident	19 Å²	19	35.3 Å²	35.3	13%	0.128	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-72.4	-11.6	176.4	-60.3	0	0	0	0	113.5	I189 S190 C221	I189-C192 WeakPolarHBondContact O-CB 3.31Å; I189-C192 PolarHBondContact O-N 3.05Å; S190-C192 VanDerWaalsContact C-N 3.28Å; S190-C192 PolarHBondContact O-N 2.53Å; C192-C221 WeakPolarHBondContact CA-SG 3.21Å; C192-C221 HydrophobicContact CB-CB 3.67Å; C192-C221 WeakPolarHBondContact CB-SG 3.45Å; C192-C221 WeakPolarHBondContact SG-CA 3.5Å; C192-C221 WeakPolarHBondContact SG-CB 3.26Å; C192-C221 CovalentContact SG-SG 2.04Å; C192-C221 PolarHBondContact SG-SG 3.46Å
193	R	59.7	Low	73.4	Confident	204 Å²	204	35.4 Å²	35.4	77%	0.77	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-81.3	-20.7	177.9	-60	-176.7	179.1	174.3	-1.3	112.8	S190 L191 G195	S190-R193 WeakPolarHBondContact O-CB 3.38Å; S190-R193 PolarHBondContact O-N 2.98Å; L191-R193 PolarHBondContact O-N 3.39Å; R193-G195 PolarHBondContact O-N 3.41Å
194	S	55.9	Low	73.2	Confident	41 Å²	41	35.4 Å²	35.4	29%	0.287	20%	0.199	S	C	.	.	S	Bend	trans	-75.7	109.5	164.3	48.5	0	0	0	0	107.7	K38 L191 N196 T197	K38-S194 PolarHBondContact NZ-OG 3.48Å; L191-S194 PolarHBondContact O-N 3.46Å; L191-S194 PolarHBondContact O-OG 2.99Å; S194-N196 PolarHBondContact O-N 2.96Å; S194-T197 PolarHBondContact O-N 3.27Å; S194-T197 PolarHBondContact OG-OG1 3.27Å
195	G	52.5	Low	73.1	Confident	50 Å²	50	35.5 Å²	35.5	52%	0.515	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	0.4	-172	0	0	0	0	0	117.4	R193	R193-G195 PolarHBondContact O-N 3.41Å
196	N	55.5	Low	73.3	Confident	72 Å²	72	35.5 Å²	35.5	39%	0.385	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.3	177.5	-58.3	2.2	0	0	0	112.8	T34 S35 V36 S194	T34-N196 CarbonylContact O-C 3.6Å; S35-N196 CarbonylContact C-O 3.52Å; S35-N196 WeakPolarHBondContact CA-O 3.45Å; V36-N196 HydrophobicContact CG2-CB 4.17Å; V36-N196 PolarHBondContact N-O 3.49Å; S194-N196 PolarHBondContact O-N 2.96Å
197	T	54.8	Low	73.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.199	C	C	.	.			trans	-94.7	113.1	179.9	-63	0	0	0	0	109.3	V36 L191 S194 G199 C221 N224	V36-T197 PolarHBondContact O-OG1 2.89Å; L191-T197 HydrophobicContact CB-CG2 4.38Å; L191-T197 VanDerWaalsContact O-CB 3.3Å; L191-T197 WeakPolarHBondContact O-CB 3.41Å; S194-T197 PolarHBondContact O-N 3.27Å; S194-T197 PolarHBondContact OG-OG1 3.27Å; T197-G199 WeakPolarHBondContact CG2-O 3.35Å; T197-C221 PolarHBondContact O-SG 3.21Å; T197-C221 VanDerWaalsContact O-SG 3.41Å; T197-N224 PolarHBondContact O-ND2 2.96Å
198	V	58.5	Low	74	Confident	32 Å²	32	32.4 Å²	32.4	19%	0.194	19%	0.186	C	C	.	.			trans	-91.7	-24.9	-179.1	-179.5	0	0	0	0	111.3	C221 T238	V198-C221 WeakPolarHBondContact O-CB 3.23Å; V198-C221 PolarHBondContact O-N 3.36Å; V198-T238 HydrophobicContact CB-CG2 4.09Å; V198-T238 HydrophobicContact CG1-CG2 3.96Å
199	G	68.5	Low	74.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	-177.9	174.5	0	0	0	0	0	113	T197 N219 E242	T197-G199 WeakPolarHBondContact CG2-O 3.35Å; G199-N219 WeakPolarHBondContact CA-O 3.15Å; G199-E242 VanDerWaalsContact C-OE1 3.28Å
200	Y	76	Confident	75.6	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150.4	165.1	68.5	-77.8	0	0	0	110.9	K38 H146 I189 L191 Y217 T218 N219	K38-Y200 WeakPolarHBondContact O-CB 3.2Å; H146-Y200 PolarHBondContact CD2-OH 3.4Å; I189-Y200 HydrophobicContact CD1-CD1 4.02Å; I189-Y200 HydrophobicContact CD1-CE1 3.17Å; I189-Y200 HydrophobicContact CG1-CE1 4.24Å; L191-Y200 HydrophobicContact CD1-CD1 4Å; L191-Y200 HydrophobicContact CD1-CE1 4.24Å; L191-Y200 HydrophobicContact CD1-CG 4.23Å; Y200-Y217 HydrophobicContact CE1-CE1 4.48Å; Y200-Y217 HydrophobicContact CE2-CD1 4.1Å; Y200-Y217 AromaticContact CE2-CE1 3.84Å; Y200-Y217 HydrophobicContact CE2-CE1 3.84Å; Y200-Y217 AromaticContact CZ-CE1 3.67Å; Y200-Y217 WeakPolarHBondContact OH-CE1 2.97Å; Y200-T218 VanDerWaalsContact O-CA 3.28Å; Y200-T218 WeakPolarHBondContact O-CA 3.5Å; Y200-N219 HydrophobicContact CD1-CB 3.77Å; Y200-N219 HydrophobicContact CE1-CB 3.23Å; Y200-N219 PolarHBondContact N-O 3.06Å; Y200-N219 PolarHBondContact O-N 2.99Å
201	A	84.6	Confident	77	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.4	173.1	0	0	0	0	0	113.1	L39 Y217 T218 E242 H245 V246	L39-A201 WeakPolarHBondContact CD2-O 3.39Å; A201-Y217 CarbonylContact C-O 3.58Å; A201-Y217 VanDerWaalsContact CA-O 3.26Å; A201-Y217 WeakPolarHBondContact CA-O 3.41Å; A201-T218 WeakPolarHBondContact CB-OG1 3.11Å; A201-E242 HydrophobicContact CB-CB 3.64Å; A201-E242 HydrophobicContact CB-CG 4.4Å; A201-E242 WeakPolarHBondContact CB-O 3.37Å; A201-E242 VanDerWaalsContact CB-OE2 3.26Å; A201-E242 WeakPolarHBondContact CB-OE2 3.3Å; A201-E242 PolarHBondContact N-OE2 2.94Å; A201-H245 HydrophobicContact CB-CB 4.02Å; A201-V246 HydrophobicContact CB-CG2 3.74Å
202	Q	86.7	Confident	78.6	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	150.6	159.2	-173.1	55.2	-57.6	0	0	111.8	Y145 G216 Y217	Y145-Q202 HydrophobicContact CE1-CG 4.47Å; Y145-Q202 HydrophobicContact CE2-CB 3.72Å; Y145-Q202 HydrophobicContact CE2-CG 3.88Å; Y145-Q202 WeakPolarHBondContact OH-CG 2.94Å; Q202-G216 CarbonylContact O-C 3.51Å; Q202-G216 VanDerWaalsContact O-CA 3.29Å; Q202-G216 WeakPolarHBondContact O-CA 3.33Å; Q202-Y217 PolarHBondContact N-O 3.03Å; Q202-Y217 PolarHBondContact O-N 2.7Å
203	F	92.5	Very high	80.1	Confident	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	151.3	168.8	74.6	-89.4	0	0	0	111.4	Y45 Y145 M206 P213 N250 E252 A253	Y45-F203 HydrophobicContact CD1-CE2 4.09Å; Y45-F203 HydrophobicContact CD1-CZ 4.35Å; Y45-F203 HydrophobicContact CG-CE2 4.01Å; Y145-F203 WeakPolarHBondContact CE2-O 3.04Å; Y145-F203 PolarHBondContact OH-O 2.86Å; F203-M206 HydrophobicContact CD2-CG 3.84Å; F203-M206 HydrophobicContact CD2-SD 4.33Å; F203-M206 HydrophobicContact CE2-CE 3.87Å; F203-M206 HydrophobicContact CE2-CG 3.68Å; F203-M206 HydrophobicContact CE2-SD 3.6Å; F203-M206 HydrophobicContact CZ-CE 4.48Å; F203-M206 HydrophobicContact CZ-SD 4.14Å; F203-P213 HydrophobicContact CB-CB 3.9Å; F203-P213 HydrophobicContact CB-CG 4.39Å; F203-P213 HydrophobicContact CD1-CG 4.46Å; F203-P213 HydrophobicContact CG-CB 4.22Å; F203-P213 HydrophobicContact CG-CG 4.22Å; F203-N250 VanDerWaalsContact CD1-ND2 3.27Å; F203-N250 WeakPolarHBondContact CD1-ND2 3.25Å; F203-N250 WeakPolarHBondContact CE1-ND2 3.36Å; F203-N250 VanDerWaalsContact CE1-OD1 3.3Å; F203-N250 WeakPolarHBondContact CE1-OD1 3.18Å; F203-E252 HydrophobicContact CE1-CB 3.88Å; F203-E252 HydrophobicContact CZ-CB 3.86Å; F203-A253 HydrophobicContact CD1-CB 4.46Å; F203-A253 HydrophobicContact CE1-CB 3.78Å; F203-A253 HydrophobicContact CZ-CB 4.36Å
204	C	93	Very high	81.9	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-14.8	-178.3	64.7	0	0	0	0	113.3	Y45 Y46 C144 Y145 A215	Y45-C204 VanDerWaalsContact CA-O 3.31Å; Y45-C204 WeakPolarHBondContact CA-O 3.47Å; Y46-C204 PolarHBondContact N-O 2.93Å; C144-C204 HydrophobicContact CB-CB 3.91Å; C144-C204 WeakPolarHBondContact CB-SG 3.05Å; C144-C204 WeakPolarHBondContact SG-CB 3.38Å; C144-C204 CovalentContact SG-SG 2.02Å; C144-C204 PolarHBondContact SG-SG 3.3Å; Y145-C204 HydrophobicContact CD2-CB 4.13Å; Y145-C204 HydrophobicContact CE2-CB 3.72Å; C204-A215 PolarHBondContact N-O 3.42Å
205	R	95.6	Very high	83.9	Confident	2 Å²	2	10.7 Å²	10.7	1%	0.008	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.4	175.3	-60.4	-65.3	-179.6	-75.5	-1.8	110.3	Y46 L111 F112 S114 E143 I149 I214 A215	Y46-R205 VanDerWaalsContact CD2-CZ 3.49Å; Y46-R205 WeakPolarHBondContact O-CA 3.27Å; L111-R205 HydrophobicContact CB-CG 4.42Å; L111-R205 HydrophobicContact CD2-CB 4.05Å; L111-R205 HydrophobicContact CD2-CG 4.32Å; F112-R205 PolarHBondContact O-NE 3.13Å; S114-R205 PolarHBondContact OG-NH2 3.13Å; E143-R205 PolarHBondContact O-NH1 2.87Å; E143-R205 PolarHBondContact O-NH2 3.23Å; I149-R205 HydrophobicContact CD1-CG 4.07Å; R205-I214 HydrophobicContact CB-CD1 4.44Å; R205-I214 HydrophobicContact CB-CG1 3.87Å; R205-I214 WeakPolarHBondContact O-CG1 3.2Å; R205-I214 PolarHBondContact O-N 2.03Å; R205-A215 HydrophobicContact CB-CB 3.84Å; R205-A215 HydrophobicContact CG-CB 4.04Å; R205-A215 PolarHBondContact N-O 2.78Å; R205-A215 PolarHBondContact O-N 2.86Å
206	M	95.1	Very high	85.9	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.2	176.4	-69.2	-169.5	-76.4	0	0	110.9	Y45 Y46 H47 S48 F203 R212 Y256	Y45-M206 HydrophobicContact CD2-CE 3.2Å; Y45-M206 HydrophobicContact CE2-CE 3.55Å; Y45-M206 HydrophobicContact CG-CE 3.8Å; Y46-M206 PolarHBondContact O-N 2.88Å; H47-M206 WeakPolarHBondContact CA-O 3.4Å; H47-M206 WeakPolarHBondContact CE1-CE 3.49Å; H47-M206 WeakPolarHBondContact NE2-CE 3.33Å; S48-M206 PolarHBondContact N-O 3.34Å; F203-M206 HydrophobicContact CD2-CG 3.84Å; F203-M206 HydrophobicContact CD2-SD 4.33Å; F203-M206 HydrophobicContact CE2-CE 3.87Å; F203-M206 HydrophobicContact CE2-CG 3.68Å; F203-M206 HydrophobicContact CE2-SD 3.6Å; F203-M206 HydrophobicContact CZ-CE 4.48Å; F203-M206 HydrophobicContact CZ-SD 4.14Å; M206-R212 CarbonylContact C-O 3.5Å; M206-R212 WeakPolarHBondContact CA-O 3.42Å; M206-Y256 HydrophobicContact CE-CD1 4.26Å; M206-Y256 HydrophobicContact CE-CD2 3.83Å; M206-Y256 HydrophobicContact CE-CE1 4.13Å; M206-Y256 HydrophobicContact CE-CE2 3.69Å; M206-Y256 HydrophobicContact CE-CG 4.14Å; M206-Y256 HydrophobicContact SD-CD1 4.44Å; M206-Y256 HydrophobicContact SD-CD2 3.88Å; M206-Y256 HydrophobicContact SD-CE2 4.36Å; M206-Y256 HydrophobicContact SD-CG 3.95Å
207	D	94	Very high	87.7	Confident	11 Å²	11	4.9 Å²	4.9	6%	0.059	3%	0.028	C	C	.	.			trans	-66.4	131.8	173.6	178.2	65.5	0	0	0	110.7	L209 T210 D211 R212 I214	D207-L209 PolarHBondContact O-N 3.02Å; D207-L209 WeakPolarHBondContact OD2-CB 3.46Å; D207-L209 PolarHBondContact OD2-N 3.33Å; D207-L209 VanDerWaalsContact OD2-N 3.17Å; D207-T210 WeakPolarHBondContact CB-OG1 2.84Å; D207-T210 WeakPolarHBondContact OD2-CB 3.33Å; D207-T210 PolarHBondContact OD2-N 3.42Å; D207-T210 PolarHBondContact OD2-OG1 3.18Å; D207-D211 VanDerWaalsContact O-CA 3.27Å; D207-D211 WeakPolarHBondContact O-CA 3.33Å; D207-D211 PolarHBondContact O-N 2.87Å; D207-R212 HydrophobicContact CB-CB 4.43Å; D207-R212 PolarHBondContact N-O 3.14Å; D207-I214 HydrophobicContact CB-CG2 3.77Å
208	G	90.6	Very high	89.4	Confident	5 Å²	5	4.8 Å²	4.8	5%	0.052	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.1	-174.5	0	0	0	0	0	115.4	S48 V50 R132	S48-G208 WeakPolarHBondContact O-CA 2.92Å; V50-G208 WeakPolarHBondContact CG2-O 3.43Å; R132-G208 PolarHBondContact NH1-O 2.57Å
209	L	89	Confident	90.8	Very high	31 Å²	31	3.3 Å²	3.3	16%	0.162	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-42.1	-175.6	176.9	62.5	0	0	0	112	V50 I54 D207 R258	V50-L209 HydrophobicContact CG1-CB 4.47Å; V50-L209 HydrophobicContact CG2-CB 4Å; I54-L209 HydrophobicContact CB-CD1 4.45Å; I54-L209 HydrophobicContact CD1-CD1 3.94Å; I54-L209 HydrophobicContact CG1-CD1 3.63Å; I54-L209 HydrophobicContact CG2-CD1 4.38Å; D207-L209 PolarHBondContact O-N 3.02Å; D207-L209 WeakPolarHBondContact OD2-CB 3.46Å; D207-L209 PolarHBondContact OD2-N 3.33Å; D207-L209 VanDerWaalsContact OD2-N 3.17Å; L209-R258 PolarHBondContact O-NH2 2.71Å
210	T	92	Very high	91.6	Very high	15 Å²	15	3.7 Å²	3.7	9%	0.092	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-8.8	-172.2	61.2	0	0	0	0	114	M103 D207 R212 R258 W380	M103-T210 HydrophobicContact SD-CG2 3.5Å; M103-T210 VanDerWaalsContact SD-CG2 3.5Å; D207-T210 WeakPolarHBondContact CB-OG1 2.84Å; D207-T210 WeakPolarHBondContact OD2-CB 3.33Å; D207-T210 PolarHBondContact OD2-N 3.42Å; D207-T210 PolarHBondContact OD2-OG1 3.18Å; T210-R212 PolarHBondContact O-N 2.8Å; T210-R212 VanDerWaalsContact O-N 3.13Å; T210-R212 WeakPolarHBondContact OG1-CB 3.42Å; T210-R212 PolarHBondContact OG1-N 2.99Å; T210-R258 VanDerWaalsContact C-NE 3.3Å; T210-R258 WeakPolarHBondContact O-CD 3.28Å; T210-R258 PolarHBondContact O-NE 3Å; T210-W380 VanDerWaalsContact O-CD1 3.28Å; T210-W380 PolarHBondContact O-NE1 3Å
211	D	94.5	Very high	91.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.			trans	59.1	11.4	-171.3	-42.2	-29.6	0	0	0	114	H47 D207 Y256 R258 R268 W380	H47-D211 IonicContact NE2-OD1 3.01Å; D207-D211 VanDerWaalsContact O-CA 3.27Å; D207-D211 WeakPolarHBondContact O-CA 3.33Å; D207-D211 PolarHBondContact O-N 2.87Å; D211-Y256 HydrophobicContact CB-CD1 4.06Å; D211-Y256 HydrophobicContact CB-CG 4.28Å; D211-R258 IonicContact OD1-CZ 3.37Å; D211-R258 IonicContact OD1-NH2 3.23Å; D211-R258 PolarHBondContact OD1-NH2 3.44Å; D211-R258 IonicContact OD2-CZ 3.7Å; D211-R258 VanDerWaalsContact OD2-CZ 3.23Å; D211-R258 IonicContact OD2-NE 2.83Å; D211-R258 PolarHBondContact OD2-NE 3.34Å; D211-R258 IonicContact OD2-NH2 2.82Å; D211-R258 PolarHBondContact OD2-NH2 3.5Å; D211-R268 IonicContact OD2-CZ 4Å; D211-R268 IonicContact OD2-NE 2.86Å; D211-R268 IonicContact OD2-NH2 2.68Å; D211-R268 PolarHBondContact OD2-NH2 3.16Å; D211-W380 WeakPolarHBondContact O-CZ2 3.44Å
212	R	96.3	Very high	91.2	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.			trans	-65.7	135.3	177.7	-176.9	-177.6	67.3	83.7	-13.4	110.1	F177 H179 M206 D207 T210 I214 W380	F177-R212 PolarHBondContact O-NH2 3.05Å; H179-R212 PolarHBondContact O-NH1 2.9Å; H179-R212 PolarHBondContact O-NH2 3.13Å; M206-R212 CarbonylContact C-O 3.5Å; M206-R212 WeakPolarHBondContact CA-O 3.42Å; D207-R212 HydrophobicContact CB-CB 4.43Å; D207-R212 PolarHBondContact N-O 3.14Å; T210-R212 PolarHBondContact O-N 2.8Å; T210-R212 VanDerWaalsContact O-N 3.13Å; T210-R212 WeakPolarHBondContact OG1-CB 3.42Å; T210-R212 PolarHBondContact OG1-N 2.99Å; R212-I214 WeakPolarHBondContact O-CG2 3.02Å; R212-I214 PolarHBondContact O-N 3.42Å; R212-W380 HydrophobicContact CB-CB 4.06Å; R212-W380 HydrophobicContact CB-CD2 4.13Å; R212-W380 HydrophobicContact CB-CG 3.71Å; R212-W380 HydrophobicContact CG-CB 3.8Å; R212-W380 HydrophobicContact CG-CD2 4.19Å; R212-W380 HydrophobicContact CG-CG 3.86Å
213	P	96.5	Very high	90.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	124.3	165.4	-28.4	37.4	0	0	0	112.3	F203 V246 W380	F203-P213 HydrophobicContact CB-CB 3.9Å; F203-P213 HydrophobicContact CB-CG 4.39Å; F203-P213 HydrophobicContact CD1-CG 4.46Å; F203-P213 HydrophobicContact CG-CB 4.22Å; F203-P213 HydrophobicContact CG-CG 4.22Å; P213-V246 WeakPolarHBondContact CB-O 3.14Å; P213-W380 HydrophobicContact CG-CH2 4.35Å; P213-W380 HydrophobicContact CG-CZ3 4.16Å
214	I	97.4	Very high	89.2	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-14.4	-177.9	57.8	175.4	0	0	0	113.8	S48 I109 L111 M175 L181 R205 D207 R212	S48-I214 WeakPolarHBondContact OG-CD1 3.3Å; I109-I214 HydrophobicContact CD1-CB 4.08Å; I109-I214 HydrophobicContact CD1-CD1 4.45Å; I109-I214 HydrophobicContact CD1-CG2 3.84Å; L111-I214 HydrophobicContact CD2-CB 4.39Å; L111-I214 HydrophobicContact CD2-CD1 3.39Å; L111-I214 HydrophobicContact CD2-CG1 3.64Å; M175-I214 WeakPolarHBondContact CE-O 3.14Å; L181-I214 PolarHBondContact N-O 3.31Å; R205-I214 HydrophobicContact CB-CD1 4.44Å; R205-I214 HydrophobicContact CB-CG1 3.87Å; R205-I214 WeakPolarHBondContact O-CG1 3.2Å; R205-I214 PolarHBondContact O-N 2.03Å; D207-I214 HydrophobicContact CB-CG2 3.77Å; R212-I214 WeakPolarHBondContact O-CG2 3.02Å; R212-I214 PolarHBondContact O-N 3.42Å
215	A	97.6	Very high	88.1	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.5	165.1	0	0	0	0	0	111	L111 L181 C204 R205	L111-A215 HydrophobicContact CD1-CB 3.93Å; L111-A215 HydrophobicContact CD2-CB 4.33Å; L181-A215 HydrophobicContact CB-CB 3.93Å; L181-A215 HydrophobicContact CD2-CB 4.34Å; L181-A215 HydrophobicContact CG-CB 4.48Å; L181-A215 WeakPolarHBondContact O-CA 3.43Å; C204-A215 PolarHBondContact N-O 3.42Å; R205-A215 HydrophobicContact CB-CB 3.84Å; R205-A215 HydrophobicContact CG-CB 4.04Å; R205-A215 PolarHBondContact N-O 2.78Å; R205-A215 PolarHBondContact O-N 2.86Å
216	G	95.3	Very high	87.1	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	173.1	172	0	0	0	0	0	112.7	L181 I183 Q202	L181-G216 PolarHBondContact O-N 2.85Å; I183-G216 PolarHBondContact N-O 3.14Å; Q202-G216 CarbonylContact O-C 3.51Å; Q202-G216 VanDerWaalsContact O-CA 3.29Å; Q202-G216 WeakPolarHBondContact O-CA 3.33Å
217	Y	93.3	Very high	86.4	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.2	-173.4	174.1	-88.7	0	0	0	109.5	C144 Y145 H146 I183 D185 Y200 A201 Q202 N219	C144-Y217 WeakPolarHBondContact O-CD2 3.08Å; Y145-Y217 HydrophobicContact CD2-CD1 4.49Å; Y145-Y217 HydrophobicContact CD2-CG 4.36Å; H146-Y217 HydrophobicContact CB-CE2 4.23Å; I183-Y217 HydrophobicContact CB-CD2 4.27Å; I183-Y217 HydrophobicContact CG2-CD2 3.92Å; I183-Y217 HydrophobicContact CG2-CE2 4.43Å; I183-Y217 CarbonylContact O-C 3.56Å; I183-Y217 VanDerWaalsContact O-CA 3.31Å; I183-Y217 WeakPolarHBondContact O-CA 3.41Å; D185-Y217 HydrophobicContact CB-CE2 3.5Å; D185-Y217 WeakPolarHBondContact CB-OH 3.33Å; D185-Y217 VanDerWaalsContact CG-OH 3.26Å; D185-Y217 WeakPolarHBondContact OD2-CE2 3.5Å; D185-Y217 PolarHBondContact OD2-OH 2.91Å; Y200-Y217 HydrophobicContact CE1-CE1 4.48Å; Y200-Y217 HydrophobicContact CE2-CD1 4.1Å; Y200-Y217 AromaticContact CE2-CE1 3.84Å; Y200-Y217 HydrophobicContact CE2-CE1 3.84Å; Y200-Y217 AromaticContact CZ-CE1 3.67Å; Y200-Y217 WeakPolarHBondContact OH-CE1 2.97Å; A201-Y217 CarbonylContact C-O 3.58Å; A201-Y217 VanDerWaalsContact CA-O 3.26Å; A201-Y217 WeakPolarHBondContact CA-O 3.41Å; Q202-Y217 PolarHBondContact N-O 3.03Å; Q202-Y217 PolarHBondContact O-N 2.7Å; Y217-N219 HydrophobicContact CE1-CB 3.79Å
218	T	91.3	Very high	85.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.6	168.8	-88.8	0	0	0	0	109.6	Y182 I183 I184 D185 Y200 A201 L220 M239	Y182-T218 WeakPolarHBondContact CE2-OG1 3.36Å; Y182-T218 WeakPolarHBondContact OH-CB 3.11Å; Y182-T218 PolarHBondContact OH-OG1 3.43Å; I183-T218 PolarHBondContact O-N 3.18Å; I184-T218 WeakPolarHBondContact CA-O 3.39Å; D185-T218 PolarHBondContact N-O 2.95Å; Y200-T218 VanDerWaalsContact O-CA 3.28Å; Y200-T218 WeakPolarHBondContact O-CA 3.5Å; A201-T218 WeakPolarHBondContact CB-OG1 3.11Å; T218-L220 HydrophobicContact CG2-CD2 4.09Å; T218-L220 HydrophobicContact CG2-CG 4.21Å; T218-M239 HydrophobicContact CG2-CE 4.15Å; T218-M239 HydrophobicContact CG2-SD 3.79Å
219	N	87.1	Confident	85.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.2	166	-175.6	72.3	0	0	0	110.5	D185 S186 Q187 G199 Y200 Y217	D185-N219 WeakPolarHBondContact O-CA 3.01Å; S186-N219 WeakPolarHBondContact CA-OD1 3.39Å; S186-N219 PolarHBondContact N-OD1 2.82Å; Q187-N219 PolarHBondContact N-OD1 3.18Å; Q187-N219 PolarHBondContact O-ND2 3.18Å; Q187-N219 VanDerWaalsContact O-ND2 3.13Å; G199-N219 WeakPolarHBondContact CA-O 3.15Å; Y200-N219 HydrophobicContact CD1-CB 3.77Å; Y200-N219 HydrophobicContact CE1-CB 3.23Å; Y200-N219 PolarHBondContact N-O 3.06Å; Y200-N219 PolarHBondContact O-N 2.99Å; Y217-N219 HydrophobicContact CE1-CB 3.79Å
220	L	84.4	Confident	85.1	Confident	8 Å²	8	26.7 Å²	26.7	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125	170.8	-61.5	177.9	0	0	0	109.6	I74 I83 I88 D185 S186 T218 P222 I225 M239	I74-L220 HydrophobicContact CD1-CD1 4.25Å; I83-L220 HydrophobicContact CG2-CD1 4.26Å; I88-L220 HydrophobicContact CD1-CD1 4.41Å; I88-L220 HydrophobicContact CG1-CD1 4.44Å; D185-L220 PolarHBondContact O-N 3.45Å; S186-L220 VanDerWaalsContact CA-O 3.25Å; S186-L220 WeakPolarHBondContact CA-O 3.39Å; S186-L220 WeakPolarHBondContact CB-O 3.45Å; S186-L220 PolarHBondContact OG-O 2.92Å; T218-L220 HydrophobicContact CG2-CD2 4.09Å; T218-L220 HydrophobicContact CG2-CG 4.21Å; L220-P222 WeakPolarHBondContact O-CD 3.1Å; L220-I225 HydrophobicContact CB-CD1 4.19Å; L220-M239 HydrophobicContact CD1-SD 4.42Å; L220-M239 HydrophobicContact CD2-SD 4.03Å
221	C	81.2	Confident	84.7	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.142	C	C	.	.			trans	-70.1	114.9	-179.7	-68.3	0	0	0	0	110.8	C192 T197 V198 N223 N224	C192-C221 WeakPolarHBondContact CA-SG 3.21Å; C192-C221 HydrophobicContact CB-CB 3.67Å; C192-C221 WeakPolarHBondContact CB-SG 3.45Å; C192-C221 WeakPolarHBondContact SG-CA 3.5Å; C192-C221 WeakPolarHBondContact SG-CB 3.26Å; C192-C221 CovalentContact SG-SG 2.04Å; C192-C221 PolarHBondContact SG-SG 3.46Å; T197-C221 PolarHBondContact O-SG 3.21Å; T197-C221 VanDerWaalsContact O-SG 3.41Å; V198-C221 WeakPolarHBondContact O-CB 3.23Å; V198-C221 PolarHBondContact O-N 3.36Å; C221-N223 PolarHBondContact O-N 3.44Å; C221-N224 PolarHBondContact O-N 3.2Å
222	P	71.9	Confident	84.3	Confident	19 Å²	19	28.8 Å²	28.8	12%	0.123	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-64.6	-39.1	-167	22.5	-32.9	0	0	0	113.6	S186 T188 L220 N224 I225	S186-P222 WeakPolarHBondContact OG-CB 3.47Å; T188-P222 WeakPolarHBondContact OG1-CG 3.31Å; L220-P222 WeakPolarHBondContact O-CD 3.1Å; P222-N224 PolarHBondContact O-N 3.06Å; P222-N224 VanDerWaalsContact O-N 3.12Å; P222-I225 PolarHBondContact O-N 3.29Å
223	N	70.7	Confident	83.8	Confident	133 Å²	133	30.7 Å²	30.7	71%	0.711	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-71.1	-7.5	-174.6	-63.7	-19.4	0	0	0	114.4	C221	C221-N223 PolarHBondContact O-N 3.44Å
224	N	67.1	Low	83.3	Confident	63 Å²	63	31.4 Å²	31.4	34%	0.337	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-107.9	5.5	-176.5	-63.3	-16.2	0	0	0	112.5	T197 C221 P222 E226	T197-N224 PolarHBondContact O-ND2 2.96Å; C221-N224 PolarHBondContact O-N 3.2Å; P222-N224 PolarHBondContact O-N 3.06Å; P222-N224 VanDerWaalsContact O-N 3.12Å; N224-E226 PolarHBondContact O-N 3.39Å
225	I	69.1	Low	82.8	Confident	25 Å²	25	32 Å²	32	13%	0.128	17%	0.166	C	C	.	.			trans	-95.6	91.9	-177.4	-53.5	176.4	0	0	0	109.6	I83 I87 L220 P222	I83-I225 HydrophobicContact CD1-CD1 3.94Å; I83-I225 HydrophobicContact CD1-CG2 4.14Å; I83-I225 HydrophobicContact CG1-CG2 4.07Å; I87-I225 HydrophobicContact CD1-CG2 4.25Å; L220-I225 HydrophobicContact CB-CD1 4.19Å; P222-I225 PolarHBondContact O-N 3.29Å
226	E	74.9	Confident	82.5	Confident	82 Å²	82	33 Å²	33	38%	0.383	17%	0.172	S	C	.	.			trans	-82.1	151.1	166.6	-68.6	-178	173.9	0	0	110.6	K32 N224 S231	K32-E226 VanDerWaalsContact CE-OE1 3.22Å; K32-E226 WeakPolarHBondContact CE-OE1 3.37Å; K32-E226 IonicContact NZ-OE1 3.43Å; K32-E226 PolarHBondContact NZ-OE1 3.05Å; K32-E226 IonicContact NZ-OE2 3.46Å; K32-E226 PolarHBondContact NZ-OE2 2.78Å; N224-E226 PolarHBondContact O-N 3.39Å; E226-S231 WeakPolarHBondContact CB-OG 3.5Å; E226-S231 VanDerWaalsContact O-CB 3.23Å; E226-S231 WeakPolarHBondContact O-CB 3.45Å; E226-S231 PolarHBondContact OE2-OG 3.38Å
227	V	80.1	Confident	82.3	Confident	64 Å²	64	33.8 Å²	33.8	39%	0.388	18%	0.176	S	C	.	.			trans	-105.9	8.3	-171.4	-61.5	0	0	0	0	114.1	H79 L82 I232	H79-V227 HydrophobicContact CB-CG1 4.22Å; L82-V227 HydrophobicContact CD2-CB 3.71Å; L82-V227 HydrophobicContact CD2-CG1 3.56Å; V227-I232 VanDerWaalsContact O-CD1 3.3Å; V227-I232 WeakPolarHBondContact O-CD1 3.47Å
228	D	82.7	Confident	82	Confident	55 Å²	55	34 Å²	34	29%	0.294	18%	0.177	S	C	.	.	S	Bend	trans	-72.8	167	170.2	73.2	91.3	0	0	0	111.4	E230 S231 I232	D228-E230 PolarHBondContact O-N 3.06Å; D228-E230 PolarHBondContact OD1-N 3.23Å; D228-S231 PolarHBondContact O-N 2.77Å; D228-S231 PolarHBondContact OD1-N 3.41Å; D228-S231 WeakPolarHBondContact OD2-CB 3.35Å; D228-S231 PolarHBondContact OD2-OG 2.85Å; D228-I232 WeakPolarHBondContact O-CG1 3.36Å; D228-I232 PolarHBondContact O-N 3.09Å
229	Y	83.2	Confident	82	Confident	85 Å²	85	34 Å²	34	33%	0.333	18%	0.177	S	C	.	.	H	α-helix	trans	-55.5	-46.8	-174.6	175.8	-93	0	0	0	113.4	R233 T493 E495	Y229-R233 VanDerWaalsContact O-CB 3.31Å; Y229-R233 WeakPolarHBondContact O-CB 3.42Å; Y229-R233 PolarHBondContact O-N 2.7Å; Y229-T493 HydrophobicContact CD1-CG2 4.17Å; Y229-T493 HydrophobicContact CE1-CG2 3.42Å; Y229-T493 VanDerWaalsContact CE1-CG2 3.42Å; Y229-E495 HydrophobicContact CD1-CB 4.37Å; Y229-E495 HydrophobicContact CD2-CB 3.78Å; Y229-E495 HydrophobicContact CD2-CG 3.57Å; Y229-E495 HydrophobicContact CE2-CB 4Å; Y229-E495 HydrophobicContact CE2-CG 3.53Å; Y229-E495 WeakPolarHBondContact CE2-OE1 3.27Å; Y229-E495 HydrophobicContact CG-CB 3.96Å; Y229-E495 HydrophobicContact CG-CG 4.28Å
230	E	81.5	Confident	82.4	Confident	11 Å²	11	34 Å²	34	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-71.9	-39.6	-175.6	-72.6	-59.2	140.1	0	0	111.1	D228 R233 M234 Y488 K496	D228-E230 PolarHBondContact O-N 3.06Å; D228-E230 PolarHBondContact OD1-N 3.23Å; E230-R233 WeakPolarHBondContact O-CB 3.21Å; E230-R233 PolarHBondContact O-N 2.93Å; E230-R233 IonicContact OE1-NE 3.95Å; E230-R233 IonicContact OE2-CZ 3.68Å; E230-R233 IonicContact OE2-NE 2.64Å; E230-R233 PolarHBondContact OE2-NE 2.82Å; E230-R233 IonicContact OE2-NH2 3.97Å; E230-R233 PolarHBondContact OE2-NH2 3.21Å; E230-M234 WeakPolarHBondContact O-CB 3.21Å; E230-M234 WeakPolarHBondContact O-CG 3.14Å; E230-M234 PolarHBondContact O-N 2.72Å; E230-Y488 HydrophobicContact CG-CD2 4.42Å; E230-Y488 HydrophobicContact CG-CE2 3.98Å; E230-Y488 WeakPolarHBondContact OE1-CE2 3.03Å; E230-Y488 PolarHBondContact OE1-OH 3.23Å; E230-K496 VanDerWaalsContact CG-CE 3.49Å
231	S	82.2	Confident	82.8	Confident	27 Å²	27	33.6 Å²	33.6	19%	0.189	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-43	176.5	-61.5	0	0	0	0	112.3	E226 D228 R233 M234 A235	E226-S231 WeakPolarHBondContact CB-OG 3.5Å; E226-S231 VanDerWaalsContact O-CB 3.23Å; E226-S231 WeakPolarHBondContact O-CB 3.45Å; E226-S231 PolarHBondContact OE2-OG 3.38Å; D228-S231 PolarHBondContact O-N 2.77Å; D228-S231 PolarHBondContact OD1-N 3.41Å; D228-S231 WeakPolarHBondContact OD2-CB 3.35Å; D228-S231 PolarHBondContact OD2-OG 2.85Å; S231-R233 VanDerWaalsContact C-N 3.32Å; S231-R233 PolarHBondContact O-N 2.95Å; S231-M234 PolarHBondContact O-N 3.33Å; S231-A235 WeakPolarHBondContact O-CB 3.05Å; S231-A235 PolarHBondContact O-N 2.96Å
232	I	86.8	Confident	83.3	Confident	32 Å²	32	33.6 Å²	33.6	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-43.9	173.4	-72.5	174.3	0	0	0	110.8	L82 K86 I87 V227 D228 A235 T236	L82-I232 HydrophobicContact CD2-CD1 4.18Å; L82-I232 HydrophobicContact CG-CD1 4.48Å; K86-I232 HydrophobicContact CB-CG2 3.87Å; I87-I232 HydrophobicContact CG1-CG2 4.18Å; V227-I232 VanDerWaalsContact O-CD1 3.3Å; V227-I232 WeakPolarHBondContact O-CD1 3.47Å; D228-I232 WeakPolarHBondContact O-CG1 3.36Å; D228-I232 PolarHBondContact O-N 3.09Å; I232-A235 PolarHBondContact O-N 3.12Å; I232-T236 WeakPolarHBondContact O-CB 3.31Å; I232-T236 PolarHBondContact O-N 3.42Å; I232-T236 PolarHBondContact O-OG1 3.02Å
233	R	86.5	Confident	84.5	Confident	39 Å²	39	32.7 Å²	32.7	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-47.5	-179.4	-164.6	-168.2	56.9	56	0.2	111.2	Y229 E230 S231 T236 L237 S363	Y229-R233 VanDerWaalsContact O-CB 3.31Å; Y229-R233 WeakPolarHBondContact O-CB 3.42Å; Y229-R233 PolarHBondContact O-N 2.7Å; E230-R233 WeakPolarHBondContact O-CB 3.21Å; E230-R233 PolarHBondContact O-N 2.93Å; E230-R233 IonicContact OE1-NE 3.95Å; E230-R233 IonicContact OE2-CZ 3.68Å; E230-R233 IonicContact OE2-NE 2.64Å; E230-R233 PolarHBondContact OE2-NE 2.82Å; E230-R233 IonicContact OE2-NH2 3.97Å; E230-R233 PolarHBondContact OE2-NH2 3.21Å; S231-R233 VanDerWaalsContact C-N 3.32Å; S231-R233 PolarHBondContact O-N 2.95Å; R233-T236 WeakPolarHBondContact O-CB 3.43Å; R233-T236 PolarHBondContact O-N 3.44Å; R233-L237 WeakPolarHBondContact O-CG 3.46Å; R233-L237 PolarHBondContact O-N 2.94Å; R233-L237 VanDerWaalsContact O-N 3.09Å; R233-S363 PolarHBondContact NH1-O 2.94Å; R233-S363 PolarHBondContact NH2-O 3.09Å
234	M	84.9	Confident	85.7	Confident	15 Å²	15	26.3 Å²	26.3	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-40.5	176.3	-73.1	-55.1	-62.7	0	0	112.4	E230 S231 T236 L237 T238 L361	E230-M234 WeakPolarHBondContact O-CB 3.21Å; E230-M234 WeakPolarHBondContact O-CG 3.14Å; E230-M234 PolarHBondContact O-N 2.72Å; S231-M234 PolarHBondContact O-N 3.33Å; M234-T236 VanDerWaalsContact C-N 3.3Å; M234-T236 PolarHBondContact O-N 3.37Å; M234-L237 PolarHBondContact O-N 3.33Å; M234-L237 HydrophobicContact SD-CD1 4.35Å; M234-T238 WeakPolarHBondContact O-CB 3.3Å; M234-T238 PolarHBondContact O-N 3.45Å; M234-T238 PolarHBondContact O-OG1 2.74Å; M234-L361 HydrophobicContact CE-CB 4.02Å
235	A	86.4	Confident	86.9	Confident	14 Å²	14	23.4 Å²	23.4	12%	0.116	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-35.7	175.5	0	0	0	0	0	111.8	I87 S231 I232 T238 M239	I87-A235 HydrophobicContact CD1-CB 3.6Å; I87-A235 HydrophobicContact CG1-CB 3.98Å; I87-A235 HydrophobicContact CG2-CB 4.07Å; I87-A235 WeakPolarHBondContact CG2-O 3.23Å; S231-A235 WeakPolarHBondContact O-CB 3.05Å; S231-A235 PolarHBondContact O-N 2.96Å; I232-A235 PolarHBondContact O-N 3.12Å; A235-T238 PolarHBondContact O-N 3.35Å; A235-M239 WeakPolarHBondContact O-CB 3.48Å; A235-M239 PolarHBondContact O-N 3.35Å
236	T	91.3	Very high	88.2	Confident	19 Å²	19	22.2 Å²	22.2	12%	0.117	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-45.8	174.2	-55.9	0	0	0	0	111.4	K86 P90 A91 I232 R233 M234 T238 M239 A240	K86-T236 PolarHBondContact O-OG1 3.25Å; K86-T236 VanDerWaalsContact O-OG1 3.11Å; P90-T236 HydrophobicContact CB-CG2 3.95Å; A91-T236 HydrophobicContact CB-CG2 4.39Å; I232-T236 WeakPolarHBondContact O-CB 3.31Å; I232-T236 PolarHBondContact O-N 3.42Å; I232-T236 PolarHBondContact O-OG1 3.02Å; R233-T236 WeakPolarHBondContact O-CB 3.43Å; R233-T236 PolarHBondContact O-N 3.44Å; M234-T236 VanDerWaalsContact C-N 3.3Å; M234-T236 PolarHBondContact O-N 3.37Å; T236-T238 VanDerWaalsContact C-N 3.35Å; T236-M239 PolarHBondContact O-N 3.35Å; T236-A240 WeakPolarHBondContact O-CB 3.3Å; T236-A240 PolarHBondContact O-N 3.11Å
237	L	91.5	Very high	89.2	Confident	18 Å²	18	18.3 Å²	18.3	9%	0.094	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-41.4	175.8	-67.1	175.1	0	0	0	111.6	R233 M234 A240 H241 L356 L361 S363 S365	R233-L237 WeakPolarHBondContact O-CG 3.46Å; R233-L237 PolarHBondContact O-N 2.94Å; R233-L237 VanDerWaalsContact O-N 3.09Å; M234-L237 PolarHBondContact O-N 3.33Å; M234-L237 HydrophobicContact SD-CD1 4.35Å; L237-A240 PolarHBondContact O-N 2.86Å; L237-H241 WeakPolarHBondContact O-CB 3.38Å; L237-H241 PolarHBondContact O-N 3.18Å; L237-L356 HydrophobicContact CB-CD1 4.46Å; L237-L356 HydrophobicContact CD2-CD1 4.41Å; L237-L356 WeakPolarHBondContact O-CD1 3.43Å; L237-L361 HydrophobicContact CB-CD1 4Å; L237-S363 WeakPolarHBondContact CD1-O 3.46Å; L237-S365 WeakPolarHBondContact CD2-O 3.24Å
238	T	88	Confident	89.9	Confident	3 Å²	3	15.2 Å²	15.2	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-49.2	173.7	-56.3	0	0	0	0	110.5	S35 V198 M234 A235 T236 A240 H241 E242 L361	S35-T238 PolarHBondContact OG-OG1 2.86Å; V198-T238 HydrophobicContact CB-CG2 4.09Å; V198-T238 HydrophobicContact CG1-CG2 3.96Å; M234-T238 WeakPolarHBondContact O-CB 3.3Å; M234-T238 PolarHBondContact O-N 3.45Å; M234-T238 PolarHBondContact O-OG1 2.74Å; A235-T238 PolarHBondContact O-N 3.35Å; T236-T238 VanDerWaalsContact C-N 3.35Å; T238-A240 VanDerWaalsContact C-N 3.26Å; T238-A240 PolarHBondContact O-N 2.85Å; T238-H241 WeakPolarHBondContact O-CB 3.48Å; T238-H241 PolarHBondContact O-N 3.27Å; T238-H241 VanDerWaalsContact O-N 3.11Å; T238-E242 HydrophobicContact CG2-CG 4.36Å; T238-E242 WeakPolarHBondContact O-CG 3.46Å; T238-E242 PolarHBondContact O-N 3.19Å; T238-L361 WeakPolarHBondContact OG1-CD1 3.33Å
239	M	91.2	Very high	90.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.1	-34.6	178.7	-172.6	55.9	171.3	0	0	112.8	I87 I88 A91 Y182 I184 T218 L220 A235 T236 L243	I87-M239 HydrophobicContact CG2-CB 3.95Å; I87-M239 HydrophobicContact CG2-CG 4.43Å; I88-M239 HydrophobicContact CB-CE 4.41Å; I88-M239 HydrophobicContact CG1-CE 4Å; I88-M239 HydrophobicContact CG1-CG 4.45Å; I88-M239 HydrophobicContact CG2-CE 3.96Å; A91-M239 HydrophobicContact CB-CB 3.75Å; A91-M239 HydrophobicContact CB-CG 3.67Å; Y182-M239 HydrophobicContact CD1-CE 4.27Å; Y182-M239 HydrophobicContact CE1-CE 3.29Å; Y182-M239 HydrophobicContact CE1-SD 4.31Å; Y182-M239 VanDerWaalsContact CZ-CE 3.47Å; Y182-M239 VanDerWaalsContact OH-CE 3.27Å; Y182-M239 WeakPolarHBondContact OH-CE 3.49Å; Y182-M239 PolarHBondContact OH-SD 2.87Å; Y182-M239 VanDerWaalsContact OH-SD 3.32Å; I184-M239 HydrophobicContact CB-CE 4.44Å; I184-M239 HydrophobicContact CD1-CE 3.56Å; I184-M239 HydrophobicContact CG1-CE 3.8Å; I184-M239 HydrophobicContact CG2-CE 3.77Å; T218-M239 HydrophobicContact CG2-CE 4.15Å; T218-M239 HydrophobicContact CG2-SD 3.79Å; L220-M239 HydrophobicContact CD1-SD 4.42Å; L220-M239 HydrophobicContact CD2-SD 4.03Å; A235-M239 WeakPolarHBondContact O-CB 3.48Å; A235-M239 PolarHBondContact O-N 3.35Å; T236-M239 PolarHBondContact O-N 3.35Å; M239-L243 WeakPolarHBondContact O-CB 3.34Å; M239-L243 PolarHBondContact O-N 2.72Å
240	A	95.5	Very high	90.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.9	-42.5	174.1	0	0	0	0	0	111.6	A91 M94 W95 T236 L237 T238 L243 G244 L356	A91-A240 HydrophobicContact CB-CB 4.02Å; M94-A240 HydrophobicContact CE-CB 4.38Å; M94-A240 HydrophobicContact SD-CB 3.95Å; W95-A240 PolarHBondContact NE1-O 2.94Å; T236-A240 WeakPolarHBondContact O-CB 3.3Å; T236-A240 PolarHBondContact O-N 3.11Å; L237-A240 PolarHBondContact O-N 2.86Å; T238-A240 VanDerWaalsContact C-N 3.26Å; T238-A240 PolarHBondContact O-N 2.85Å; A240-L243 PolarHBondContact O-N 3.44Å; A240-G244 PolarHBondContact O-N 2.9Å; A240-L356 HydrophobicContact CB-CD1 4.45Å; A240-L356 HydrophobicContact CB-CD2 4Å
241	H	93.1	Very high	90.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.9	-50.7	174.1	173.2	111.1	0	0	0	111.2	C37 L237 T238 L243 G244 H245 H346 L356 T358 L361	C37-H241 WeakPolarHBondContact CB-NE2 3.47Å; C37-H241 PolarHBondContact SG-CD2 3.45Å; C37-H241 PolarHBondContact SG-NE2 3.19Å; L237-H241 WeakPolarHBondContact O-CB 3.38Å; L237-H241 PolarHBondContact O-N 3.18Å; T238-H241 WeakPolarHBondContact O-CB 3.48Å; T238-H241 PolarHBondContact O-N 3.27Å; T238-H241 VanDerWaalsContact O-N 3.11Å; H241-L243 VanDerWaalsContact C-N 3.31Å; H241-L243 PolarHBondContact O-N 3.15Å; H241-G244 VanDerWaalsContact O-CA 3.3Å; H241-G244 WeakPolarHBondContact O-CA 3.46Å; H241-G244 PolarHBondContact O-N 3.2Å; H241-H245 AromaticContact CD2-CD2 3.71Å; H241-H245 AromaticContact CD2-NE2 3.63Å; H241-H245 AromaticContact CE1-NE2 3.94Å; H241-H245 AromaticContact NE2-CD2 3.61Å; H241-H245 AromaticContact NE2-CE1 3.95Å; H241-H245 AromaticContact NE2-NE2 3.02Å; H241-H245 PolarHBondContact NE2-NE2 3.22Å; H241-H245 PolarHBondContact O-N 3.45Å; H241-H346 AromaticContact CE1-CD2 3.62Å; H241-H346 AromaticContact CE1-NE2 3.72Å; H241-H346 AromaticContact NE2-CD2 3.82Å; H241-H346 AromaticContact NE2-NE2 3.49Å; H241-H346 PolarHBondContact NE2-NE2 3.24Å; H241-L356 HydrophobicContact CB-CD1 4.11Å; H241-L356 HydrophobicContact CB-CG 4.21Å; H241-L356 PolarHBondContact ND1-O 3.27Å; H241-T358 PolarHBondContact CE1-O 2.86Å; H241-T358 VanDerWaalsContact CE1-O 3.25Å; H241-L361 HydrophobicContact CB-CD2 4.3Å
242	E	91.8	Very high	90.9	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-61.6	-39.6	179.4	-63	-58	176.7	0	0	111.7	C37 G199 A201 T238 G244 H245 V246	C37-E242 PolarHBondContact SG-OE1 2.87Å; G199-E242 VanDerWaalsContact C-OE1 3.28Å; A201-E242 HydrophobicContact CB-CB 3.64Å; A201-E242 HydrophobicContact CB-CG 4.4Å; A201-E242 WeakPolarHBondContact CB-O 3.37Å; A201-E242 VanDerWaalsContact CB-OE2 3.26Å; A201-E242 WeakPolarHBondContact CB-OE2 3.3Å; A201-E242 PolarHBondContact N-OE2 2.94Å; T238-E242 HydrophobicContact CG2-CG 4.36Å; T238-E242 WeakPolarHBondContact O-CG 3.46Å; T238-E242 PolarHBondContact O-N 3.19Å; E242-G244 VanDerWaalsContact C-N 3.26Å; E242-G244 PolarHBondContact O-N 3.06Å; E242-H245 WeakPolarHBondContact O-CB 3.5Å; E242-H245 PolarHBondContact O-N 2.92Å; E242-H245 VanDerWaalsContact O-N 3.16Å; E242-H245 IonicContact OE2-CD2 3.49Å; E242-V246 PolarHBondContact O-N 3.36Å; E242-V246 VanDerWaalsContact O-N 3.09Å
243	L	95.7	Very high	91.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-64.3	-31.6	172.8	-178.3	52.4	0	0	0	112.1	V66 I92 W95 L180 Y182 M239 A240 H241 H245 V246 L247	V66-L243 HydrophobicContact CG2-CD2 4.39Å; I92-L243 HydrophobicContact CG1-CD2 3.97Å; W95-L243 HydrophobicContact CB-CD2 4.4Å; W95-L243 HydrophobicContact CG-CD2 4.28Å; W95-L243 HydrophobicContact CG-CG 4.33Å; L180-L243 HydrophobicContact CD2-CD1 3.84Å; Y182-L243 HydrophobicContact CD1-CD1 3.91Å; Y182-L243 HydrophobicContact CD1-CD2 4.38Å; Y182-L243 HydrophobicContact CD2-CD1 4.48Å; Y182-L243 HydrophobicContact CE1-CB 4.06Å; Y182-L243 HydrophobicContact CE1-CD1 3.79Å; Y182-L243 HydrophobicContact CE1-CD2 4.06Å; Y182-L243 HydrophobicContact CE1-CG 4.19Å; Y182-L243 HydrophobicContact CE2-CD1 4.4Å; Y182-L243 HydrophobicContact CG-CD1 4.25Å; M239-L243 WeakPolarHBondContact O-CB 3.34Å; M239-L243 PolarHBondContact O-N 2.72Å; A240-L243 PolarHBondContact O-N 3.44Å; H241-L243 VanDerWaalsContact C-N 3.31Å; H241-L243 PolarHBondContact O-N 3.15Å; L243-H245 VanDerWaalsContact C-N 3.34Å; L243-H245 PolarHBondContact O-N 3.01Å; L243-V246 HydrophobicContact CD1-CB 4.24Å; L243-V246 HydrophobicContact CD1-CG1 4.38Å; L243-V246 PolarHBondContact O-N 2.75Å; L243-L247 HydrophobicContact CD1-CD1 4.32Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 HydrophobicContact CG-CG 4.38Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 WeakPolarHBondContact O-CD1 3.33Å; L243-L247 WeakPolarHBondContact O-CG 3.46Å; L243-L247 PolarHBondContact O-N 3.33Å
244	G	96.4	Very high	91.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.3	-43.2	170.9	0	0	0	0	0	112.7	A240 H241 E242 L247 G248 F249	A240-G244 PolarHBondContact O-N 2.9Å; H241-G244 VanDerWaalsContact O-CA 3.3Å; H241-G244 WeakPolarHBondContact O-CA 3.46Å; H241-G244 PolarHBondContact O-N 3.2Å; E242-G244 VanDerWaalsContact C-N 3.26Å; E242-G244 PolarHBondContact O-N 3.06Å; G244-L247 PolarHBondContact O-N 3.05Å; G244-G248 PolarHBondContact O-N 3.23Å; G244-F249 WeakPolarHBondContact O-CB 3.49Å; G244-F249 PolarHBondContact O-N 3.43Å
245	H	92.9	Very high	91.9	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-63.3	-45.7	172.9	-70.1	-52.2	0	0	0	112.5	A201 H241 E242 L243 L247 G248 F249 N250 R344 G345 H346	A201-H245 HydrophobicContact CB-CB 4.02Å; H241-H245 AromaticContact CD2-CD2 3.71Å; H241-H245 AromaticContact CD2-NE2 3.63Å; H241-H245 AromaticContact CE1-NE2 3.94Å; H241-H245 AromaticContact NE2-CD2 3.61Å; H241-H245 AromaticContact NE2-CE1 3.95Å; H241-H245 AromaticContact NE2-NE2 3.02Å; H241-H245 PolarHBondContact NE2-NE2 3.22Å; H241-H245 PolarHBondContact O-N 3.45Å; E242-H245 WeakPolarHBondContact O-CB 3.5Å; E242-H245 PolarHBondContact O-N 2.92Å; E242-H245 VanDerWaalsContact O-N 3.16Å; E242-H245 IonicContact OE2-CD2 3.49Å; L243-H245 VanDerWaalsContact C-N 3.34Å; L243-H245 PolarHBondContact O-N 3.01Å; H245-L247 PolarHBondContact O-N 3.28Å; H245-G248 WeakPolarHBondContact O-CA 3.19Å; H245-G248 PolarHBondContact O-N 2.91Å; H245-F249 PolarHBondContact ND1-O 2.9Å; H245-N250 PolarHBondContact O-ND2 3.17Å; H245-R344 PolarHBondContact CE1-O 3.11Å; H245-G345 PolarHBondContact CE1-O 3.27Å; H245-G345 VanDerWaalsContact CE1-O 3.23Å; H245-H346 AromaticContact CE1-CD2 3.55Å; H245-H346 AromaticContact CE1-NE2 3.4Å; H245-H346 PolarHBondContact CE1-NE2 3.45Å; H245-H346 AromaticContact NE2-CD2 3.72Å; H245-H346 AromaticContact NE2-NE2 3.19Å; H245-H346 PolarHBondContact NE2-NE2 2.83Å; H245-H346 VanDerWaalsContact NE2-NE2 3.19Å
246	V	94.7	Very high	92.3	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.6	-36.6	176.3	171.1	0	0	0	0	111.9	L180 Y182 A201 P213 E242 L243 G248	L180-V246 HydrophobicContact CD1-CG1 4.1Å; L180-V246 HydrophobicContact CD2-CG1 4.03Å; Y182-V246 HydrophobicContact CD2-CG1 4.47Å; Y182-V246 HydrophobicContact CD2-CG2 4.35Å; Y182-V246 HydrophobicContact CE2-CG2 3.87Å; A201-V246 HydrophobicContact CB-CG2 3.74Å; P213-V246 WeakPolarHBondContact CB-O 3.14Å; E242-V246 PolarHBondContact O-N 3.36Å; E242-V246 VanDerWaalsContact O-N 3.09Å; L243-V246 HydrophobicContact CD1-CB 4.24Å; L243-V246 HydrophobicContact CD1-CG1 4.38Å; L243-V246 PolarHBondContact O-N 2.75Å; V246-G248 PolarHBondContact O-N 3.43Å
247	L	97.4	Very high	92.6	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-71.7	-15	177.2	-72.3	164.4	0	0	0	113	L64 W95 L99 L180 L243 G244 H245 F375 Y381	L64-L247 HydrophobicContact CD1-CD2 4.41Å; L64-L247 HydrophobicContact CD2-CD1 4.47Å; L64-L247 HydrophobicContact CD2-CD2 3.64Å; W95-L247 HydrophobicContact CB-CD1 3.88Å; W95-L247 HydrophobicContact CD2-CD1 3.57Å; W95-L247 HydrophobicContact CE3-CD1 3.87Å; W95-L247 HydrophobicContact CG-CD1 3.59Å; L99-L247 HydrophobicContact CD1-CD1 3.93Å; L99-L247 HydrophobicContact CD1-CD2 4.34Å; L180-L247 HydrophobicContact CD2-CD2 3.67Å; L180-L247 HydrophobicContact CD2-CG 4.24Å; L243-L247 HydrophobicContact CD1-CD1 4.32Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 HydrophobicContact CG-CG 4.38Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 WeakPolarHBondContact O-CD1 3.33Å; L243-L247 WeakPolarHBondContact O-CG 3.46Å; L243-L247 PolarHBondContact O-N 3.33Å; G244-L247 PolarHBondContact O-N 3.05Å; H245-L247 PolarHBondContact O-N 3.28Å; L247-F375 HydrophobicContact CB-CE1 3.57Å; L247-F375 HydrophobicContact CB-CZ 3.94Å; L247-Y381 HydrophobicContact CD2-CE1 4.45Å; L247-Y381 WeakPolarHBondContact CD2-OH 3.47Å; L247-Y381 PolarHBondContact O-OH 3.4Å
248	G	94.7	Very high	92.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.7	10.8	170	0	0	0	0	0	115.5	G244 H245 V246 N250 A253 F374	G244-G248 PolarHBondContact O-N 3.23Å; H245-G248 WeakPolarHBondContact O-CA 3.19Å; H245-G248 PolarHBondContact O-N 2.91Å; V246-G248 PolarHBondContact O-N 3.43Å; G248-N250 PolarHBondContact O-N 3.49Å; G248-A253 WeakPolarHBondContact O-CB 3.46Å; G248-F374 WeakPolarHBondContact O-CZ 3.01Å
249	F	94.5	Very high	93.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.			trans	-75.4	70.2	166.4	-162	-78.7	0	0	0	109.5	G244 H245 L312 G345 F347 M357 F374 F375	G244-F249 WeakPolarHBondContact O-CB 3.49Å; G244-F249 PolarHBondContact O-N 3.43Å; H245-F249 PolarHBondContact ND1-O 2.9Å; F249-L312 HydrophobicContact CZ-CD1 4.47Å; F249-G345 WeakPolarHBondContact CD1-O 3.43Å; F249-G345 WeakPolarHBondContact CE1-O 3.49Å; F249-F347 HydrophobicContact CE2-CD2 4.43Å; F249-F347 AromaticContact CE2-CE1 3.97Å; F249-F347 HydrophobicContact CE2-CE1 3.97Å; F249-F347 AromaticContact CE2-CE2 3.62Å; F249-F347 HydrophobicContact CE2-CE2 3.62Å; F249-F347 AromaticContact CE2-CZ 3.35Å; F249-F347 HydrophobicContact CE2-CZ 3.35Å; F249-F347 AromaticContact CZ-CD1 3.93Å; F249-F347 HydrophobicContact CZ-CD1 3.93Å; F249-F347 AromaticContact CZ-CD2 3.86Å; F249-F347 HydrophobicContact CZ-CD2 3.86Å; F249-F347 AromaticContact CZ-CE1 3.54Å; F249-F347 HydrophobicContact CZ-CE1 3.54Å; F249-F347 AromaticContact CZ-CE2 3.47Å; F249-F347 HydrophobicContact CZ-CE2 3.47Å; F249-F347 VanDerWaalsContact CZ-CE2 3.47Å; F249-F347 HydrophobicContact CZ-CG 4.08Å; F249-F347 AromaticContact CZ-CZ 3.31Å; F249-F347 HydrophobicContact CZ-CZ 3.31Å; F249-M357 HydrophobicContact CB-CE 4Å; F249-M357 HydrophobicContact CD1-CB 3.98Å; F249-M357 HydrophobicContact CD1-CE 3.64Å; F249-M357 HydrophobicContact CD1-CG 4.07Å; F249-M357 HydrophobicContact CD2-CG 4.25Å; F249-M357 HydrophobicContact CE1-CB 3.77Å; F249-M357 HydrophobicContact CE1-CE 4.45Å; F249-M357 HydrophobicContact CE1-CG 4.29Å; F249-M357 HydrophobicContact CG-CB 4.46Å; F249-M357 HydrophobicContact CG-CE 3.98Å; F249-M357 HydrophobicContact CG-CG 4.09Å; F249-M357 HydrophobicContact CZ-CB 4.1Å; F249-F374 HydrophobicContact CB-CD1 4.38Å; F249-F374 HydrophobicContact CB-CE1 3.86Å; F249-F374 HydrophobicContact CB-CZ 4.42Å; F249-F374 HydrophobicContact CD2-CB 4.26Å; F249-F374 AromaticContact CD2-CD1 3.23Å; F249-F374 HydrophobicContact CD2-CD1 3.23Å; F249-F374 HydrophobicContact CD2-CD2 4.11Å; F249-F374 AromaticContact CD2-CE1 3.46Å; F249-F374 HydrophobicContact CD2-CE1 3.46Å; F249-F374 VanDerWaalsContact CD2-CE1 3.46Å; F249-F374 HydrophobicContact CD2-CE2 4.3Å; F249-F374 AromaticContact CD2-CG 3.58Å; F249-F374 HydrophobicContact CD2-CG 3.58Å; F249-F374 HydrophobicContact CD2-CZ 4Å; F249-F374 HydrophobicContact CE2-CB 4.02Å; F249-F374 AromaticContact CE2-CD1 3.82Å; F249-F374 HydrophobicContact CE2-CD1 3.82Å; F249-F374 AromaticContact CE2-CD2 3.98Å; F249-F374 HydrophobicContact CE2-CD2 3.98Å; F249-F374 HydrophobicContact CE2-CE1 4.29Å; F249-F374 HydrophobicContact CE2-CE2 4.43Å; F249-F374 AromaticContact CE2-CG 3.63Å; F249-F374 HydrophobicContact CE2-CG 3.63Å; F249-F374 HydrophobicContact CG-CD1 4.2Å; F249-F374 HydrophobicContact CG-CE1 4.01Å; F249-F374 HydrophobicContact CG-CZ 4.41Å; F249-F375 HydrophobicContact CB-CE2 4.42Å; F249-F375 HydrophobicContact CB-CZ 3.96Å
250	N	86.9	Confident	93.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-156.3	155.7	177.7	71.6	76.7	0	0	0	110.3	L39 F203 H245 G248 E252 A253 F254	L39-N250 HydrophobicContact CD1-CB 4.25Å; F203-N250 VanDerWaalsContact CD1-ND2 3.27Å; F203-N250 WeakPolarHBondContact CD1-ND2 3.25Å; F203-N250 WeakPolarHBondContact CE1-ND2 3.36Å; F203-N250 VanDerWaalsContact CE1-OD1 3.3Å; F203-N250 WeakPolarHBondContact CE1-OD1 3.18Å; H245-N250 PolarHBondContact O-ND2 3.17Å; G248-N250 PolarHBondContact O-N 3.49Å; N250-E252 VanDerWaalsContact C-N 3.27Å; N250-E252 PolarHBondContact O-N 2.95Å; N250-E252 WeakPolarHBondContact OD1-CB 3.15Å; N250-E252 PolarHBondContact OD1-N 3.5Å; N250-E252 VanDerWaalsContact OD1-N 3.09Å; N250-A253 WeakPolarHBondContact ND2-CB 3.21Å; N250-A253 WeakPolarHBondContact O-CB 3.46Å; N250-A253 PolarHBondContact O-N 2.83Å; N250-A253 PolarHBondContact OD1-N 2.82Å; N250-F254 WeakPolarHBondContact O-CD1 3.42Å; N250-F254 WeakPolarHBondContact O-CE1 3.33Å; N250-F254 WeakPolarHBondContact O-CG 3.41Å; N250-F254 PolarHBondContact O-N 3.43Å; N250-F254 VanDerWaalsContact O-N 3.15Å
251	S	84	Confident	92.9	Very high	18 Å²	18	15.8 Å²	15.8	13%	0.126	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-30.3	-173.4	51.2	0	0	0	0	114.4
252	E	85	Confident	92.9	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-68.8	-36.4	174.2	-66.7	-61	121	0	0	112.1	Y43 F203 N250 R255 Y256	Y43-E252 VanDerWaalsContact CD1-CD 3.41Å; Y43-E252 HydrophobicContact CD1-CG 3.22Å; Y43-E252 HydrophobicContact CE1-CG 3.28Å; Y43-E252 WeakPolarHBondContact CE2-OE1 3.31Å; Y43-E252 VanDerWaalsContact CG-CD 3.49Å; Y43-E252 HydrophobicContact CG-CG 3.86Å; F203-E252 HydrophobicContact CE1-CB 3.88Å; F203-E252 HydrophobicContact CZ-CB 3.86Å; N250-E252 VanDerWaalsContact C-N 3.27Å; N250-E252 PolarHBondContact O-N 2.95Å; N250-E252 WeakPolarHBondContact OD1-CB 3.15Å; N250-E252 PolarHBondContact OD1-N 3.5Å; N250-E252 VanDerWaalsContact OD1-N 3.09Å; E252-R255 WeakPolarHBondContact O-CG 3.34Å; E252-R255 IonicContact OE1-CZ 3.18Å; E252-R255 IonicContact OE1-NH1 3.56Å; E252-R255 IonicContact OE1-NH2 2.89Å; E252-R255 PolarHBondContact OE1-NH2 3.2Å; E252-R255 IonicContact OE2-CZ 2.62Å; E252-R255 IonicContact OE2-NH1 3.23Å; E252-R255 PolarHBondContact OE2-NH1 2.79Å; E252-R255 IonicContact OE2-NH2 3.36Å; E252-R255 PolarHBondContact OE2-NH2 2.79Å; E252-R255 VanDerWaalsContact OE2-NH2 3.08Å; E252-Y256 WeakPolarHBondContact O-CD2 3.31Å; E252-Y256 WeakPolarHBondContact O-CE2 3.3Å
253	A	92.1	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-75.8	-27.2	179.3	0	0	0	0	0	112.5	F203 G248 N250 R255 Y256 M257 W380	F203-A253 HydrophobicContact CD1-CB 4.46Å; F203-A253 HydrophobicContact CE1-CB 3.78Å; F203-A253 HydrophobicContact CZ-CB 4.36Å; G248-A253 WeakPolarHBondContact O-CB 3.46Å; N250-A253 WeakPolarHBondContact ND2-CB 3.21Å; N250-A253 WeakPolarHBondContact O-CB 3.46Å; N250-A253 PolarHBondContact O-N 2.83Å; N250-A253 PolarHBondContact OD1-N 2.82Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 3.13Å; A253-Y256 WeakPolarHBondContact O-CA 3.49Å; A253-Y256 WeakPolarHBondContact O-CB 3.39Å; A253-Y256 PolarHBondContact O-N 3.18Å; A253-M257 PolarHBondContact O-N 3.28Å; A253-W380 HydrophobicContact CB-CH2 3.99Å; A253-W380 HydrophobicContact CB-CZ3 4.48Å
254	F	93.7	Very high	93	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-40.6	-177.4	-61.5	-14.1	0	0	0	112.9	N250 Y256 M257 P286 V290 L291 L312 L335 F374	N250-F254 WeakPolarHBondContact O-CD1 3.42Å; N250-F254 WeakPolarHBondContact O-CE1 3.33Å; N250-F254 WeakPolarHBondContact O-CG 3.41Å; N250-F254 PolarHBondContact O-N 3.43Å; N250-F254 VanDerWaalsContact O-N 3.15Å; F254-Y256 PolarHBondContact O-N 3.4Å; F254-Y256 VanDerWaalsContact O-N 3.16Å; F254-M257 HydrophobicContact CB-SD 4.45Å; F254-M257 HydrophobicContact CD1-SD 4.42Å; F254-M257 WeakPolarHBondContact O-CB 3.47Å; F254-M257 WeakPolarHBondContact O-CG 3.33Å; F254-M257 PolarHBondContact O-N 3.28Å; F254-P286 HydrophobicContact CB-CB 4.44Å; F254-P286 HydrophobicContact CB-CG 4.3Å; F254-V290 HydrophobicContact CB-CG1 4.37Å; F254-L291 HydrophobicContact CD2-CD1 4.35Å; F254-L312 HydrophobicContact CD2-CD2 4.13Å; F254-L312 HydrophobicContact CE2-CD2 4.19Å; F254-L312 HydrophobicContact CG-CD2 4.38Å; F254-L312 HydrophobicContact CZ-CD1 4.27Å; F254-L312 HydrophobicContact CZ-CD2 4.45Å; F254-L335 HydrophobicContact CE2-CD1 3.81Å; F254-F374 AromaticContact CD1-CE2 3.66Å; F254-F374 HydrophobicContact CD1-CE2 3.66Å; F254-F374 AromaticContact CD1-CZ 3.72Å; F254-F374 HydrophobicContact CD1-CZ 3.72Å; F254-F374 AromaticContact CE1-CE2 3.39Å; F254-F374 HydrophobicContact CE1-CE2 3.39Å; F254-F374 AromaticContact CE1-CZ 3.41Å; F254-F374 HydrophobicContact CE1-CZ 3.41Å; F254-F374 VanDerWaalsContact CE1-CZ 3.41Å; F254-F374 HydrophobicContact CZ-CE2 4.3Å
255	R	92.6	Very high	93	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.068	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.4	176.4	71.5	-175.7	78.4	138.7	1.8	112.9	Y45 E252 A253 T266 R268 P275 R284 P286	Y45-R255 PolarHBondContact OH-NH1 3.18Å; E252-R255 WeakPolarHBondContact O-CG 3.34Å; E252-R255 IonicContact OE1-CZ 3.18Å; E252-R255 IonicContact OE1-NH1 3.56Å; E252-R255 IonicContact OE1-NH2 2.89Å; E252-R255 PolarHBondContact OE1-NH2 3.2Å; E252-R255 IonicContact OE2-CZ 2.62Å; E252-R255 IonicContact OE2-NH1 3.23Å; E252-R255 PolarHBondContact OE2-NH1 2.79Å; E252-R255 IonicContact OE2-NH2 3.36Å; E252-R255 PolarHBondContact OE2-NH2 2.79Å; E252-R255 VanDerWaalsContact OE2-NH2 3.08Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 3.13Å; R255-T266 WeakPolarHBondContact O-CB 3.47Å; R255-T266 PolarHBondContact O-OG1 3.11Å; R255-R268 PolarHBondContact O-NH1 3.03Å; R255-R268 PolarHBondContact O-NH2 3.47Å; R255-P275 HydrophobicContact CB-CB 4.38Å; R255-P275 HydrophobicContact CB-CG 4.02Å; R255-P275 HydrophobicContact CG-CG 3.65Å; R255-R284 PolarHBondContact NE-O 3.09Å; R255-R284 PolarHBondContact NH2-O 2.72Å; R255-P286 HydrophobicContact CB-CB 4.26Å
256	Y	95.3	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-2.9	179.2	-67.1	-74.5	0	0	0	114.9	Y45 H47 M206 D211 E252 A253 F254 R268 E274 P275	Y45-Y256 HydrophobicContact CE2-CE2 4.04Å; Y45-Y256 AromaticContact CE2-CZ 3.85Å; Y45-Y256 VanDerWaalsContact CE2-OH 3.26Å; Y45-Y256 WeakPolarHBondContact CE2-OH 3.35Å; Y45-Y256 AromaticContact CZ-CE2 3.93Å; Y45-Y256 PolarHBondContact OH-OH 2.81Å; H47-Y256 AromaticContact CE1-CE1 3.49Å; H47-Y256 VanDerWaalsContact CE1-CE1 3.49Å; H47-Y256 WeakPolarHBondContact CE1-CE1 3.48Å; H47-Y256 AromaticContact CE1-CZ 3.97Å; H47-Y256 AromaticContact NE2-CD1 3.87Å; H47-Y256 AromaticContact NE2-CE1 3.79Å; M206-Y256 HydrophobicContact CE-CD1 4.26Å; M206-Y256 HydrophobicContact CE-CD2 3.83Å; M206-Y256 HydrophobicContact CE-CE1 4.13Å; M206-Y256 HydrophobicContact CE-CE2 3.69Å; M206-Y256 HydrophobicContact CE-CG 4.14Å; M206-Y256 HydrophobicContact SD-CD1 4.44Å; M206-Y256 HydrophobicContact SD-CD2 3.88Å; M206-Y256 HydrophobicContact SD-CE2 4.36Å; M206-Y256 HydrophobicContact SD-CG 3.95Å; D211-Y256 HydrophobicContact CB-CD1 4.06Å; D211-Y256 HydrophobicContact CB-CG 4.28Å; E252-Y256 WeakPolarHBondContact O-CD2 3.31Å; E252-Y256 WeakPolarHBondContact O-CE2 3.3Å; A253-Y256 WeakPolarHBondContact O-CA 3.49Å; A253-Y256 WeakPolarHBondContact O-CB 3.39Å; A253-Y256 PolarHBondContact O-N 3.18Å; F254-Y256 PolarHBondContact O-N 3.4Å; F254-Y256 VanDerWaalsContact O-N 3.16Å; Y256-R268 VanDerWaalsContact CA-NH2 3.34Å; Y256-E274 WeakPolarHBondContact CE1-OE2 3.37Å; Y256-E274 PolarHBondContact OH-OE2 3.49Å; Y256-P275 VanDerWaalsContact CE1-CD 3.42Å; Y256-P275 HydrophobicContact CE1-CG 3.91Å; Y256-P275 WeakPolarHBondContact OH-CD 3.45Å
257	M	97.3	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.			trans	-60.2	149.7	-180	-66.4	175	73	0	0	113	A253 F254 R265 V290 T314 F374 D377 T378	A253-M257 PolarHBondContact O-N 3.28Å; F254-M257 HydrophobicContact CB-SD 4.45Å; F254-M257 HydrophobicContact CD1-SD 4.42Å; F254-M257 WeakPolarHBondContact O-CB 3.47Å; F254-M257 WeakPolarHBondContact O-CG 3.33Å; F254-M257 PolarHBondContact O-N 3.28Å; M257-R265 PolarHBondContact O-N 3.22Å; M257-V290 HydrophobicContact SD-CG1 3.55Å; M257-V290 VanDerWaalsContact SD-CG1 3.55Å; M257-T314 HydrophobicContact CE-CG2 3.93Å; M257-F374 HydrophobicContact CE-CD2 4.39Å; M257-F374 HydrophobicContact CE-CE2 4.09Å; M257-F374 HydrophobicContact SD-CE2 3.99Å; M257-F374 HydrophobicContact SD-CZ 4.45Å; M257-D377 VanDerWaalsContact CE-C 3.46Å; M257-D377 HydrophobicContact CE-CB 3.93Å; M257-D377 WeakPolarHBondContact CE-O 3.23Å; M257-T378 HydrophobicContact CE-CG2 4.16Å; M257-T378 HydrophobicContact CG-CG2 4.43Å
258	R	96.5	Very high	93.1	Very high	23 Å²	23	33 Å²	33	9%	0.087	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-123.1	154	-178.7	-66.2	-179.6	173.6	-110.1	5.3	111	L209 T210 D211 G262 K263 R265 D377 T378 G379	L209-R258 PolarHBondContact O-NH2 2.71Å; T210-R258 VanDerWaalsContact C-NE 3.3Å; T210-R258 WeakPolarHBondContact O-CD 3.28Å; T210-R258 PolarHBondContact O-NE 3Å; D211-R258 IonicContact OD1-CZ 3.37Å; D211-R258 IonicContact OD1-NH2 3.23Å; D211-R258 PolarHBondContact OD1-NH2 3.44Å; D211-R258 IonicContact OD2-CZ 3.7Å; D211-R258 VanDerWaalsContact OD2-CZ 3.23Å; D211-R258 IonicContact OD2-NE 2.83Å; D211-R258 PolarHBondContact OD2-NE 3.34Å; D211-R258 IonicContact OD2-NH2 2.82Å; D211-R258 PolarHBondContact OD2-NH2 3.5Å; R258-G262 WeakPolarHBondContact CD-O 3.07Å; R258-G262 PolarHBondContact NH1-O 3.23Å; R258-K263 CarbonylContact C-O 3.6Å; R258-K263 WeakPolarHBondContact CA-O 3.49Å; R258-K263 WeakPolarHBondContact CB-O 3.45Å; R258-R265 PolarHBondContact O-NE 3.29Å; R258-R265 VanDerWaalsContact O-NE 3.15Å; R258-D377 VanDerWaalsContact O-O 3.06Å; R258-T378 PolarHBondContact N-O 3.3Å; R258-T378 CarbonylContact O-C 3.58Å; R258-G379 PolarHBondContact O-N 2.71Å
259	D	95.3	Very high	93.1	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	18%	0.177	C	C	.	.			trans	-73.8	-179.2	174.7	72.1	13.4	0	0	0	112	L261 G262 K263 R265	D259-L261 PolarHBondContact O-N 3.22Å; D259-L261 WeakPolarHBondContact OD1-CA 3.05Å; D259-L261 WeakPolarHBondContact OD1-CB 3.04Å; D259-L261 PolarHBondContact OD1-N 3.33Å; D259-G262 WeakPolarHBondContact O-CA 3.41Å; D259-G262 PolarHBondContact O-N 3.14Å; D259-G262 PolarHBondContact OD1-N 2.92Å; D259-K263 PolarHBondContact N-O 3.14Å; D259-K263 PolarHBondContact OD1-N 3.34Å; D259-K263 WeakPolarHBondContact OD2-CB 3.48Å; D259-R265 HydrophobicContact CB-CG 4.33Å
260	E	91.3	Very high	92.9	Very high	102 Å²	102	45.9 Å²	45.9	48%	0.477	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27	-174.4	-53.1	73.2	-151.4	0	0	111.5	K102 R265	K102-E260 PolarHBondContact NZ-O 3.39Å; E260-R265 IonicContact OE1-CZ 4Å; E260-R265 IonicContact OE1-NH1 3.86Å; E260-R265 IonicContact OE1-NH2 3.23Å; E260-R265 PolarHBondContact OE1-NH2 3.4Å
261	L	90.5	Very high	93.2	Very high	130 Å²	130	48.2 Å²	48.2	68%	0.681	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.3	176.8	-56.3	179.1	0	0	0	113	K104 D259	K104-L261 PolarHBondContact NZ-O 2.67Å; D259-L261 PolarHBondContact O-N 3.22Å; D259-L261 WeakPolarHBondContact OD1-CA 3.05Å; D259-L261 WeakPolarHBondContact OD1-CB 3.04Å; D259-L261 PolarHBondContact OD1-N 3.33Å
262	G	91.5	Very high	93.5	Very high	14 Å²	14	48.8 Å²	48.8	14%	0.144	23%	0.231	C	C	.	.	S	Bend	trans	84.3	16.7	-179.6	0	0	0	0	0	114.3	R258 D259	R258-G262 WeakPolarHBondContact CD-O 3.07Å; R258-G262 PolarHBondContact NH1-O 3.23Å; D259-G262 WeakPolarHBondContact O-CA 3.41Å; D259-G262 PolarHBondContact O-N 3.14Å; D259-G262 PolarHBondContact OD1-N 2.92Å
263	K	93.4	Very high	93.8	Very high	143 Å²	143	49.5 Å²	49.5	62%	0.622	24%	0.235	S	C	*	.			trans	-82.6	142.1	172.7	-176.6	-174.5	175.8	-174.6	0	109.5	R258 D259 R265	R258-K263 CarbonylContact C-O 3.6Å; R258-K263 WeakPolarHBondContact CA-O 3.49Å; R258-K263 WeakPolarHBondContact CB-O 3.45Å; D259-K263 PolarHBondContact N-O 3.14Å; D259-K263 PolarHBondContact OD1-N 3.34Å; D259-K263 WeakPolarHBondContact OD2-CB 3.48Å; K263-R265 PolarHBondContact O-N 2.93Å
264	P	96.1	Very high	93.7	Very high	33 Å²	33	50.3 Å²	50.3	21%	0.214	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-54.8	129.3	173.6	-25.1	35.5	0	0	0	111.8	T266 R268	P264-T266 VanDerWaalsContact C-N 3.35Å; P264-T266 WeakPolarHBondContact CB-O 3.32Å; P264-R268 HydrophobicContact CB-CG 3.93Å; P264-R268 HydrophobicContact CG-CG 3.98Å
265	R	97.3	Very high	93.7	Very high	42 Å²	42	50.3 Å²	50.3	16%	0.158	24%	0.239	C	C	.	.	S	Bend	trans	-71.2	-36	172	-65.8	-176.6	-179.2	-81.7	3.4	110.9	M257 R258 D259 E260 K263 V290 D377	M257-R265 PolarHBondContact O-N 3.22Å; R258-R265 PolarHBondContact O-NE 3.29Å; R258-R265 VanDerWaalsContact O-NE 3.15Å; D259-R265 HydrophobicContact CB-CG 4.33Å; E260-R265 IonicContact OE1-CZ 4Å; E260-R265 IonicContact OE1-NH1 3.86Å; E260-R265 IonicContact OE1-NH2 3.23Å; E260-R265 PolarHBondContact OE1-NH2 3.4Å; K263-R265 PolarHBondContact O-N 2.93Å; R265-V290 HydrophobicContact CB-CG2 3.65Å; R265-V290 VanDerWaalsContact CD-CG2 3.49Å; R265-V290 HydrophobicContact CG-CG2 4.21Å; R265-D377 PolarHBondContact NE-O 2.82Å
266	T	96.7	Very high	93.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-92.7	131.4	174.7	-50	0	0	0	0	110.4	R255 P264 P275 L277 P286 D287	R255-T266 WeakPolarHBondContact O-CB 3.47Å; R255-T266 PolarHBondContact O-OG1 3.11Å; P264-T266 VanDerWaalsContact C-N 3.35Å; P264-T266 WeakPolarHBondContact CB-O 3.32Å; T266-P275 HydrophobicContact CG2-CB 3.84Å; T266-L277 HydrophobicContact CG2-CB 4.49Å; T266-L277 HydrophobicContact CG2-CD1 4.03Å; T266-L277 HydrophobicContact CG2-CG 4.21Å; T266-P286 WeakPolarHBondContact OG1-CA 3.45Å; T266-D287 HydrophobicContact CG2-CB 4.39Å; T266-D287 PolarHBondContact OG1-N 3.28Å
267	I	96.4	Very high	93.6	Very high	100 Å²	100	55.9 Å²	55.9	51%	0.513	27%	0.269	S	S	.	.			trans	-58.4	141.6	177.3	-177.6	162	0	0	0	111.4	P275 I276 L277	I267-P275 WeakPolarHBondContact O-CA 3.25Å; I267-I276 HydrophobicContact CB-CD1 4.26Å; I267-I276 HydrophobicContact CB-CG1 4.22Å; I267-I276 HydrophobicContact CD1-CD1 3.92Å; I267-I276 HydrophobicContact CG1-CD1 3.71Å; I267-I276 HydrophobicContact CG1-CG1 4.11Å; I267-I276 HydrophobicContact CG2-CD1 3.69Å; I267-I276 HydrophobicContact CG2-CG1 3.47Å; I267-I276 VanDerWaalsContact CG2-CG1 3.47Å; I267-I276 PolarHBondContact O-N 2.04Å; I267-L277 HydrophobicContact CG2-CD1 4.31Å; I267-L277 HydrophobicContact CG2-CD2 3.89Å; I267-L277 HydrophobicContact CG2-CG 3.85Å
268	R	94.6	Very high	93.2	Very high	32 Å²	32	59.6 Å²	59.6	12%	0.121	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-116.3	148.1	-171.7	-61.4	-59.3	-159.3	-133.9	-13.4	112	D211 R255 Y256 P264 N273 E274	D211-R268 IonicContact OD2-CZ 4Å; D211-R268 IonicContact OD2-NE 2.86Å; D211-R268 IonicContact OD2-NH2 2.68Å; D211-R268 PolarHBondContact OD2-NH2 3.16Å; R255-R268 PolarHBondContact O-NH1 3.03Å; R255-R268 PolarHBondContact O-NH2 3.47Å; Y256-R268 VanDerWaalsContact CA-NH2 3.34Å; P264-R268 HydrophobicContact CB-CG 3.93Å; P264-R268 HydrophobicContact CG-CG 3.98Å; R268-N273 VanDerWaalsContact CD-O 3.29Å; R268-N273 WeakPolarHBondContact CD-O 3.45Å; R268-N273 PolarHBondContact NE-O 3.21Å; R268-E274 CarbonylContact C-O 3.58Å; R268-E274 WeakPolarHBondContact CA-O 3.44Å
269	E	93.4	Very high	92.6	Very high	65 Å²	65	59.1 Å²	59.1	30%	0.304	29%	0.291	S	S	.	.			trans	-72.1	139.8	167.1	-167.4	-79.5	127	0	0	108.9	V271 T272 N273 E274 I276	E269-V271 VanDerWaalsContact CD-N 3.29Å; E269-V271 PolarHBondContact O-N 2.79Å; E269-V271 WeakPolarHBondContact OE1-CB 3.44Å; E269-V271 PolarHBondContact OE1-N 3.39Å; E269-V271 PolarHBondContact OE2-N 2.04Å; E269-V271 VanDerWaalsContact OE2-N 3.12Å; E269-T272 WeakPolarHBondContact OE2-CA 3.02Å; E269-T272 VanDerWaalsContact OE2-CB 3.25Å; E269-T272 WeakPolarHBondContact OE2-CB 3.44Å; E269-T272 WeakPolarHBondContact OE2-CG2 3.22Å; E269-T272 PolarHBondContact OE2-N 3.3Å; E269-T272 PolarHBondContact OE2-OG1 2.87Å; E269-N273 WeakPolarHBondContact O-CA 3.15Å; E269-N273 PolarHBondContact O-N 2.87Å; E269-E274 PolarHBondContact N-O 3.46Å; E269-I276 HydrophobicContact CB-CG2 3.53Å; E269-I276 HydrophobicContact CG-CG2 4.35Å; E269-I276 VanDerWaalsContact N-CG2 3.35Å
270	R	92	Very high	92.1	Very high	204 Å²	204	64.2 Å²	64.2	77%	0.77	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-45.7	-168.3	-177	179.5	175.9	-143.2	-0.7	112.4	R130	R130-R270 PolarHBondContact NH2-O 3.47Å
271	V	91.5	Very high	91.6	Very high	50 Å²	50	65.9 Å²	65.9	30%	0.303	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-57.7	-170.6	-179.6	0	0	0	0	111.3	A122 I124 R130 E269	A122-V271 VanDerWaalsContact O-CG1 3.22Å; A122-V271 WeakPolarHBondContact O-CG1 3.03Å; I124-V271 HydrophobicContact CG1-CG1 4.41Å; I124-V271 HydrophobicContact CG1-CG2 4.45Å; R130-V271 WeakPolarHBondContact CD-O 3.46Å; R130-V271 WeakPolarHBondContact CG-O 3.49Å; R130-V271 PolarHBondContact NE-O 2.04Å; E269-V271 VanDerWaalsContact CD-N 3.29Å; E269-V271 PolarHBondContact O-N 2.79Å; E269-V271 WeakPolarHBondContact OE1-CB 3.44Å; E269-V271 PolarHBondContact OE1-N 3.39Å; E269-V271 PolarHBondContact OE2-N 2.04Å; E269-V271 VanDerWaalsContact OE2-N 3.12Å
272	T	90.2	Very high	91.2	Very high	30 Å²	30	62.1 Å²	62.1	18%	0.184	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.6	-177.5	65.7	0	0	0	0	113.4	A122 E269 E274	A122-T272 HydrophobicContact CB-CG2 4.39Å; E269-T272 WeakPolarHBondContact OE2-CA 3.02Å; E269-T272 VanDerWaalsContact OE2-CB 3.25Å; E269-T272 WeakPolarHBondContact OE2-CB 3.44Å; E269-T272 WeakPolarHBondContact OE2-CG2 3.22Å; E269-T272 PolarHBondContact OE2-N 3.3Å; E269-T272 PolarHBondContact OE2-OG1 2.87Å; T272-E274 PolarHBondContact O-N 3.39Å; T272-E274 PolarHBondContact OG1-N 3.32Å
273	N	91.7	Very high	90.8	Very high	22 Å²	22	67.2 Å²	67.2	12%	0.118	35%	0.345	C	S	.	.			trans	59.7	26.1	-168.8	-166.4	70.3	0	0	0	113.6	R130 R268 E269	R130-N273 VanDerWaalsContact CZ-CB 3.43Å; R268-N273 VanDerWaalsContact CD-O 3.29Å; R268-N273 WeakPolarHBondContact CD-O 3.45Å; R268-N273 PolarHBondContact NE-O 3.21Å; E269-N273 WeakPolarHBondContact O-CA 3.15Å; E269-N273 PolarHBondContact O-N 2.87Å
274	E	91	Very high	90.4	Very high	17 Å²	17	65.2 Å²	65.2	8%	0.079	33%	0.334	C	S	.	.			trans	-86.2	150.4	172.3	-63.7	-64.5	166.1	0	0	110.5	H47 Y256 R268 E269 T272	H47-E274 IonicContact CE1-OE1 2.78Å; H47-E274 IonicContact CE1-OE2 2.99Å; H47-E274 IonicContact ND1-OE1 3.23Å; H47-E274 PolarHBondContact ND1-OE1 2.57Å; Y256-E274 WeakPolarHBondContact CE1-OE2 3.37Å; Y256-E274 PolarHBondContact OH-OE2 3.49Å; R268-E274 CarbonylContact C-O 3.58Å; R268-E274 WeakPolarHBondContact CA-O 3.44Å; E269-E274 PolarHBondContact N-O 3.46Å; T272-E274 PolarHBondContact O-N 3.39Å; T272-E274 PolarHBondContact OG1-N 3.32Å
275	P	92.7	Very high	90.1	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.013	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-58.6	136.4	173.5	4.4	-7.5	0	0	0	112.1	R255 Y256 T266 I267 R284	R255-P275 HydrophobicContact CB-CB 4.38Å; R255-P275 HydrophobicContact CB-CG 4.02Å; R255-P275 HydrophobicContact CG-CG 3.65Å; Y256-P275 VanDerWaalsContact CE1-CD 3.42Å; Y256-P275 HydrophobicContact CE1-CG 3.91Å; Y256-P275 WeakPolarHBondContact OH-CD 3.45Å; T266-P275 HydrophobicContact CG2-CB 3.84Å; I267-P275 WeakPolarHBondContact O-CA 3.25Å; P275-R284 VanDerWaalsContact O-CD 3.23Å; P275-R284 WeakPolarHBondContact O-CD 3.3Å; P275-R284 PolarHBondContact O-NE 3.11Å
276	I	94	Very high	89.8	Confident	81 Å²	81	65.1 Å²	65.1	42%	0.415	34%	0.335	S	S	.	.			trans	-94.8	-21.2	-179.3	58.5	167.3	0	0	0	114.2	I267 E269 T278	I267-I276 HydrophobicContact CB-CD1 4.26Å; I267-I276 HydrophobicContact CB-CG1 4.22Å; I267-I276 HydrophobicContact CD1-CD1 3.92Å; I267-I276 HydrophobicContact CG1-CD1 3.71Å; I267-I276 HydrophobicContact CG1-CG1 4.11Å; I267-I276 HydrophobicContact CG2-CD1 3.69Å; I267-I276 HydrophobicContact CG2-CG1 3.47Å; I267-I276 VanDerWaalsContact CG2-CG1 3.47Å; I267-I276 PolarHBondContact O-N 2.04Å; E269-I276 HydrophobicContact CB-CG2 3.53Å; E269-I276 HydrophobicContact CG-CG2 4.35Å; E269-I276 VanDerWaalsContact N-CG2 3.35Å; I276-T278 PolarHBondContact O-N 3.4Å
277	L	92.9	Very high	89.8	Confident	54 Å²	54	67 Å²	67	28%	0.283	35%	0.345	S	S	.	.			trans	-70.5	133.7	-179.7	-58.2	-176.8	0	0	0	109.1	T266 I267 R284 I285 D287	T266-L277 HydrophobicContact CG2-CB 4.49Å; T266-L277 HydrophobicContact CG2-CD1 4.03Å; T266-L277 HydrophobicContact CG2-CG 4.21Å; I267-L277 HydrophobicContact CG2-CD1 4.31Å; I267-L277 HydrophobicContact CG2-CD2 3.89Å; I267-L277 HydrophobicContact CG2-CG 3.85Å; L277-R284 CarbonylContact O-C 3.48Å; L277-R284 VanDerWaalsContact O-CA 3.26Å; L277-R284 WeakPolarHBondContact O-CA 3.46Å; L277-I285 HydrophobicContact CB-CG1 3.96Å; L277-I285 PolarHBondContact O-N 2.86Å; L277-D287 HydrophobicContact CD1-CB 3.97Å
278	T	89.1	Confident	89.7	Confident	77 Å²	77	69.7 Å²	69.7	47%	0.472	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-131.6	152.8	179.3	49.4	0	0	0	0	110.8	I276 Y283 R284	I276-T278 PolarHBondContact O-N 3.4Å; T278-Y283 CarbonylContact C-O 3.58Å; T278-Y283 WeakPolarHBondContact CA-O 3.37Å; T278-R284 HydrophobicContact CG2-CG 4.24Å
279	D	83.5	Confident	89.8	Confident	13 Å²	13	70.3 Å²	70.3	7%	0.07	36%	0.362	C	S	.	.			trans	-76.7	173.7	165.7	77	0.3	0	0	0	110.7	L281 G282 Y283 I285 Y342	D279-L281 PolarHBondContact O-N 3.13Å; D279-L281 VanDerWaalsContact O-N 3.08Å; D279-L281 VanDerWaalsContact OD1-C 3.29Å; D279-L281 WeakPolarHBondContact OD1-CA 3.43Å; D279-L281 WeakPolarHBondContact OD1-CB 3.43Å; D279-L281 PolarHBondContact OD1-N 2.92Å; D279-G282 PolarHBondContact O-N 2.72Å; D279-G282 PolarHBondContact OD1-N 2.87Å; D279-Y283 PolarHBondContact N-O 2.78Å; D279-Y283 PolarHBondContact OD1-N 3.46Å; D279-Y283 WeakPolarHBondContact OD2-CD2 3.49Å; D279-I285 HydrophobicContact CB-CG2 3.96Å; D279-Y342 WeakPolarHBondContact OD2-CE2 3.36Å; D279-Y342 VanDerWaalsContact OD2-CZ 3.3Å; D279-Y342 PolarHBondContact OD2-OH 3.19Å
280	P	84.7	Confident	89.9	Confident	138 Å²	138	67.2 Å²	67.2	90%	0.896	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.1	178.1	-25.9	36.4	0	0	0	115.2
281	L	80.7	Confident	89.9	Confident	136 Å²	136	59.3 Å²	59.3	71%	0.712	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	0.7	177.3	-61.4	174.4	0	0	0	112.1	D279 Y283	D279-L281 PolarHBondContact O-N 3.13Å; D279-L281 VanDerWaalsContact O-N 3.08Å; D279-L281 VanDerWaalsContact OD1-C 3.29Å; D279-L281 WeakPolarHBondContact OD1-CA 3.43Å; D279-L281 WeakPolarHBondContact OD1-CB 3.43Å; D279-L281 PolarHBondContact OD1-N 2.92Å; L281-Y283 HydrophobicContact CB-CD2 3.63Å; L281-Y283 HydrophobicContact CB-CE2 3.69Å; L281-Y283 HydrophobicContact CD1-CD2 4.4Å; L281-Y283 HydrophobicContact CD1-CE2 4.1Å
282	G	82.9	Confident	90	Very high	51 Å²	51	58 Å²	58	53%	0.526	31%	0.314	S	S	.	.	S	Bend	trans	85.4	4	179.5	0	0	0	0	0	114.7	D279	D279-G282 PolarHBondContact O-N 2.72Å; D279-G282 PolarHBondContact OD1-N 2.87Å
283	Y	81.3	Confident	90.1	Very high	122 Å²	122	62.5 Å²	62.5	48%	0.478	34%	0.337	S	S	.	.			trans	-72.7	133.7	174.8	-64.1	-78.6	0	0	0	110.3	T278 D279 L281 I285	T278-Y283 CarbonylContact C-O 3.58Å; T278-Y283 WeakPolarHBondContact CA-O 3.37Å; D279-Y283 PolarHBondContact N-O 2.78Å; D279-Y283 PolarHBondContact OD1-N 3.46Å; D279-Y283 WeakPolarHBondContact OD2-CD2 3.49Å; L281-Y283 HydrophobicContact CB-CD2 3.63Å; L281-Y283 HydrophobicContact CB-CE2 3.69Å; L281-Y283 HydrophobicContact CD1-CD2 4.4Å; L281-Y283 HydrophobicContact CD1-CE2 4.1Å; Y283-I285 PolarHBondContact O-N 2.84Å
284	R	86.3	Confident	90.2	Very high	101 Å²	101	61.9 Å²	61.9	38%	0.381	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-65.5	134.1	177.1	-69	178.7	172.8	123.4	3.7	110.4	R255 P275 L277 T278	R255-R284 PolarHBondContact NE-O 3.09Å; R255-R284 PolarHBondContact NH2-O 2.72Å; P275-R284 VanDerWaalsContact O-CD 3.23Å; P275-R284 WeakPolarHBondContact O-CD 3.3Å; P275-R284 PolarHBondContact O-NE 3.11Å; L277-R284 CarbonylContact O-C 3.48Å; L277-R284 VanDerWaalsContact O-CA 3.26Å; L277-R284 WeakPolarHBondContact O-CA 3.46Å; T278-R284 HydrophobicContact CG2-CG 4.24Å
285	I	88.4	Confident	90.4	Very high	58 Å²	58	64.3 Å²	64.3	30%	0.297	35%	0.35	S	S	.	.			trans	-124	154	-179.3	58.7	173.7	0	0	0	111.5	L277 D279 Y283	L277-I285 HydrophobicContact CB-CG1 3.96Å; L277-I285 PolarHBondContact O-N 2.86Å; D279-I285 HydrophobicContact CB-CG2 3.96Å; Y283-I285 PolarHBondContact O-N 2.84Å
286	P	92.9	Very high	90.5	Very high	14 Å²	14	64.5 Å²	64.5	9%	0.091	35%	0.35	C	S	.	.			trans	-64.2	158.2	169	26.9	-35.6	0	0	0	112.4	F254 R255 T266 V290 L291	F254-P286 HydrophobicContact CB-CB 4.44Å; F254-P286 HydrophobicContact CB-CG 4.3Å; R255-P286 HydrophobicContact CB-CB 4.26Å; T266-P286 WeakPolarHBondContact OG1-CA 3.45Å; P286-V290 HydrophobicContact CB-CB 4.03Å; P286-V290 HydrophobicContact CB-CG1 4.08Å; P286-L291 HydrophobicContact CB-CB 4.28Å; P286-L291 HydrophobicContact CG-CB 3.49Å; P286-L291 VanDerWaalsContact CG-CB 3.49Å; P286-L291 HydrophobicContact CG-CD2 3.71Å; P286-L291 HydrophobicContact CG-CG 4.25Å
287	D	95.5	Very high	90.7	Very high	41 Å²	41	64 Å²	64	22%	0.219	35%	0.35	C	S	.	.			trans	-62.2	152.4	168.2	179.9	-100.6	0	0	0	111.7	T266 L277 S289 V290 L291	T266-D287 HydrophobicContact CG2-CB 4.39Å; T266-D287 PolarHBondContact OG1-N 3.28Å; L277-D287 HydrophobicContact CD1-CB 3.97Å; D287-S289 PolarHBondContact O-N 2.89Å; D287-S289 WeakPolarHBondContact OD1-CB 3.26Å; D287-S289 PolarHBondContact OD1-N 3.34Å; D287-S289 PolarHBondContact OD1-OG 3.5Å; D287-V290 PolarHBondContact O-N 3.43Å; D287-L291 PolarHBondContact O-N 3.04Å
288	K	95	Very high	90.9	Very high	155 Å²	155	61.4 Å²	61.4	67%	0.674	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26	179.5	69.3	-179.4	178.3	-178	0	113.2	V290 L291 K313	K288-V290 PolarHBondContact O-N 3.14Å; K288-L291 WeakPolarHBondContact CA-O 3.41Å; K288-K313 WeakPolarHBondContact O-CE 3.26Å; K288-K313 PolarHBondContact O-NZ 2.86Å
289	S	95.1	Very high	91.3	Very high	45 Å²	45	60.4 Å²	60.4	32%	0.315	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.5	175.6	60	0	0	0	0	113.9	D287	D287-S289 PolarHBondContact O-N 2.89Å; D287-S289 WeakPolarHBondContact OD1-CB 3.26Å; D287-S289 PolarHBondContact OD1-N 3.34Å; D287-S289 PolarHBondContact OD1-OG 3.5Å
290	V	96.4	Very high	91.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-52.7	177.1	174.5	0	0	0	0	110.5	F254 M257 R265 P286 D287 K288 L312 K313 T314	F254-V290 HydrophobicContact CB-CG1 4.37Å; M257-V290 HydrophobicContact SD-CG1 3.55Å; M257-V290 VanDerWaalsContact SD-CG1 3.55Å; R265-V290 HydrophobicContact CB-CG2 3.65Å; R265-V290 VanDerWaalsContact CD-CG2 3.49Å; R265-V290 HydrophobicContact CG-CG2 4.21Å; P286-V290 HydrophobicContact CB-CB 4.03Å; P286-V290 HydrophobicContact CB-CG1 4.08Å; D287-V290 PolarHBondContact O-N 3.43Å; K288-V290 PolarHBondContact O-N 3.14Å; V290-L312 HydrophobicContact CG1-CD2 4.35Å; V290-L312 WeakPolarHBondContact O-CA 3.41Å; V290-K313 PolarHBondContact O-N 3.04Å; V290-T314 HydrophobicContact CB-CG2 4.19Å; V290-T314 HydrophobicContact CG1-CG2 4.15Å; V290-T314 HydrophobicContact CG2-CG2 4.09Å
291	L	93	Very high	92.5	Very high	39 Å²	39	54.5 Å²	54.5	20%	0.204	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.5	-173.6	-164.1	76.7	0	0	0	109	F254 P286 D287 K288 T310 A311 L312 L335	F254-L291 HydrophobicContact CD2-CD1 4.35Å; P286-L291 HydrophobicContact CB-CB 4.28Å; P286-L291 HydrophobicContact CG-CB 3.49Å; P286-L291 VanDerWaalsContact CG-CB 3.49Å; P286-L291 HydrophobicContact CG-CD2 3.71Å; P286-L291 HydrophobicContact CG-CG 4.25Å; D287-L291 PolarHBondContact O-N 3.04Å; K288-L291 WeakPolarHBondContact CA-O 3.41Å; L291-T310 HydrophobicContact CD1-CG2 3.66Å; L291-T310 HydrophobicContact CD2-CG2 3.7Å; L291-T310 HydrophobicContact CG-CG2 3.58Å; L291-A311 WeakPolarHBondContact CA-O 3.37Å; L291-L312 HydrophobicContact CD1-CD2 3.67Å; L291-L312 HydrophobicContact CD1-CG 4.01Å; L291-L335 HydrophobicContact CD1-CD1 3.68Å
292	S	92.3	Very high	93.2	Very high	23 Å²	23	52.8 Å²	52.8	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.3	176.3	54.7	0	0	0	0	112.4	A311 K313	S292-A311 PolarHBondContact N-O 3.36Å; S292-A311 PolarHBondContact O-N 2.78Å; S292-K313 VanDerWaalsContact CB-NZ 3.31Å; S292-K313 PolarHBondContact OG-NZ 3.09Å
293	N	92	Very high	93.8	Very high	124 Å²	124	52.5 Å²	52.5	66%	0.663	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.9	171.8	-63.4	-10.5	0	0	0	110	L309	N293-L309 CarbonylContact C-O 3.59Å; N293-L309 WeakPolarHBondContact CA-O 3.29Å
294	V	94.1	Very high	94.6	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.7	171.1	-61.2	0	0	0	0	108.5	L309 A311 E334	V294-L309 HydrophobicContact CG2-CB 3.83Å; V294-L309 PolarHBondContact N-O 2.9Å; V294-L309 PolarHBondContact O-N 3.18Å; V294-A311 HydrophobicContact CB-CB 4.47Å; V294-A311 HydrophobicContact CG1-CB 3.78Å; V294-A311 HydrophobicContact CG2-CB 3.81Å; V294-E334 HydrophobicContact CG2-CG 4.42Å
295	T	95.5	Very high	95.1	Very high	69 Å²	69	48.5 Å²	48.5	42%	0.423	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.4	-179.7	-54.7	0	0	0	0	109.1	Y306 R307 Y308	T295-Y306 HydrophobicContact CG2-CD1 3.85Å; T295-Y306 HydrophobicContact CG2-CG 4.39Å; T295-R307 WeakPolarHBondContact CA-O 3.34Å; T295-Y308 HydrophobicContact CG2-CD1 4.21Å; T295-Y308 HydrophobicContact CG2-CE1 4.02Å
296	R	95.9	Very high	95.5	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.019	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.6	174.2	-58.3	-60.9	179.6	-117.6	0.6	110	W298 Y306 R307 L309 D331 E334 M403	R296-W298 HydrophobicContact CB-CE3 4.39Å; R296-Y306 WeakPolarHBondContact O-CA 3.43Å; R296-R307 PolarHBondContact N-O 3.2Å; R296-R307 PolarHBondContact O-N 2.81Å; R296-L309 HydrophobicContact CB-CD1 4.34Å; R296-L309 HydrophobicContact CG-CD1 3.46Å; R296-L309 VanDerWaalsContact CG-CD1 3.46Å; R296-L309 HydrophobicContact CG-CG 4.38Å; R296-D331 IonicContact CZ-OD1 2.75Å; R296-D331 VanDerWaalsContact CZ-OD1 3.23Å; R296-D331 IonicContact CZ-OD2 3.36Å; R296-D331 VanDerWaalsContact NH1-CG 3.31Å; R296-D331 IonicContact NH1-OD1 2.79Å; R296-D331 PolarHBondContact NH1-OD1 3.41Å; R296-D331 IonicContact NH1-OD2 3.83Å; R296-D331 PolarHBondContact NH1-OD2 2.99Å; R296-D331 IonicContact NH2-OD1 3.49Å; R296-D331 PolarHBondContact NH2-OD1 3.37Å; R296-D331 IonicContact NH2-OD2 3.49Å; R296-E334 IonicContact CZ-OE1 2.81Å; R296-E334 IonicContact NE-OE1 3.82Å; R296-E334 PolarHBondContact NE-OE1 3.28Å; R296-E334 IonicContact NH2-OE1 3.91Å; R296-E334 PolarHBondContact NH2-OE1 3.35Å; R296-E334 VanDerWaalsContact NH2-OE1 3.09Å; R296-M403 WeakPolarHBondContact CD-O 3.47Å
297	V	96.8	Very high	95.5	Very high	70 Å²	70	53.3 Å²	53.3	42%	0.424	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124	161.8	-179.6	0	0	0	0	106.8	T304 Y306	V297-T304 HydrophobicContact CG1-CG2 3.62Å; V297-Y306 HydrophobicContact CG2-CD1 4.11Å; V297-Y306 HydrophobicContact CG2-CE1 3.7Å
298	W	96.8	Very high	95.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	102.2	-170.1	-162.4	-94.6	0	0	0	110.6	R296 T304 I305 R307 E456 D473	R296-W298 HydrophobicContact CB-CE3 4.39Å; W298-T304 WeakPolarHBondContact O-CA 3.19Å; W298-I305 HydrophobicContact CB-CG1 4.08Å; W298-I305 PolarHBondContact N-O 2.74Å; W298-I305 PolarHBondContact O-N 3.07Å; W298-R307 HydrophobicContact CB-CG 3.82Å; W298-R307 VanDerWaalsContact CD2-CD 3.4Å; W298-R307 HydrophobicContact CD2-CG 4.28Å; W298-R307 VanDerWaalsContact CG-CD 3.44Å; W298-R307 HydrophobicContact CG-CG 3.91Å; W298-R307 VanDerWaalsContact CH2-NH1 3.3Å; W298-E456 PolarHBondContact NE1-O 2.97Å; W298-D473 HydrophobicContact CZ2-CB 4.31Å
299	M	98	Very high	95.2	Very high	56 Å²	56	52.4 Å²	52.4	28%	0.276	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.9	-179.8	-174.5	179.4	-172.5	0	0	111.1	S405 Y407 E408 L411	M299-S405 WeakPolarHBondContact O-CB 3.31Å; M299-S405 PolarHBondContact O-OG 3.49Å; M299-Y407 HydrophobicContact CE-CE1 4.14Å; M299-Y407 HydrophobicContact CG-CD1 4.03Å; M299-Y407 HydrophobicContact CG-CE1 4.17Å; M299-Y407 HydrophobicContact SD-CE1 4.44Å; M299-E408 HydrophobicContact CB-CB 4.15Å; M299-E408 HydrophobicContact CB-CG 4.41Å; M299-E408 HydrophobicContact SD-CB 4.45Å; M299-E408 HydrophobicContact SD-CG 4.03Å; M299-L411 HydrophobicContact CE-CD1 4.38Å
300	S	97.2	Very high	95	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.028	27%	0.266	C	S	.	.			trans	-122.2	-179.3	170	67.4	0	0	0	0	108.8	K302 T303 Y407 L455 Q458	S300-K302 PolarHBondContact O-N 3.42Å; S300-K302 PolarHBondContact OG-N 3.24Å; S300-T303 PolarHBondContact N-O 3.37Å; S300-T303 WeakPolarHBondContact OG-CG2 3.25Å; S300-T303 PolarHBondContact OG-N 2.9Å; S300-T303 PolarHBondContact OG-O 3.02Å; S300-Y407 VanDerWaalsContact C-CD1 3.41Å; S300-Y407 VanDerWaalsContact C-CE1 3.42Å; S300-Y407 VanDerWaalsContact O-CE1 3.25Å; S300-Y407 WeakPolarHBondContact O-CE1 3.24Å; S300-L455 VanDerWaalsContact CB-O 3.31Å; S300-L455 WeakPolarHBondContact CB-O 3.43Å; S300-L455 PolarHBondContact OG-O 3.24Å; S300-L455 VanDerWaalsContact OG-O 3.05Å; S300-Q458 WeakPolarHBondContact CB-O 3.49Å
301	A	96.5	Very high	95	Very high	23 Å²	23	52.3 Å²	52.3	19%	0.19	27%	0.266	C	S	.	.	S	Bend	trans	-66.7	-22.6	173	0	0	0	0	0	112.8	Y407 Q458	A301-Y407 HydrophobicContact CB-CE2 3.9Å; A301-Q458 VanDerWaalsContact CB-O 3.26Å; A301-Q458 WeakPolarHBondContact CB-O 3.25Å; A301-Q458 PolarHBondContact N-O 3.05Å
302	K	95.3	Very high	95.1	Very high	100 Å²	100	50.5 Å²	50.5	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	-110.5	-23.4	-174.8	-59.9	-47.7	179.7	-167.5	0	115	S300 L455 Q458 E461	S300-K302 PolarHBondContact O-N 3.42Å; S300-K302 PolarHBondContact OG-N 3.24Å; K302-L455 HydrophobicContact CB-CD2 4.22Å; K302-Q458 HydrophobicContact CG-CB 4.29Å; K302-E461 PolarHBondContact NZ-O 2.88Å; K302-E461 IonicContact NZ-OE2 3.29Å; K302-E461 PolarHBondContact NZ-OE2 3.27Å
303	T	96.5	Very high	95.3	Very high	45 Å²	45	52.6 Å²	52.6	28%	0.276	26%	0.263	S	S	.	.			trans	-155.7	159.7	-175.5	-169.9	0	0	0	0	112.5	S300 I305 L455	S300-T303 PolarHBondContact N-O 3.37Å; S300-T303 WeakPolarHBondContact OG-CG2 3.25Å; S300-T303 PolarHBondContact OG-N 2.9Å; S300-T303 PolarHBondContact OG-O 3.02Å; T303-I305 HydrophobicContact CG2-CG2 3.92Å; T303-L455 HydrophobicContact CG2-CB 3.87Å
304	T	97.9	Very high	95.6	Very high	81 Å²	81	46.7 Å²	46.7	50%	0.497	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.6	166.3	-60	0	0	0	0	108.3	V297 W298	V297-T304 HydrophobicContact CG1-CG2 3.62Å; W298-T304 WeakPolarHBondContact O-CA 3.19Å
305	I	96.4	Very high	95.8	Very high	59 Å²	59	49.6 Å²	49.6	30%	0.303	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	169.9	-178.1	66	164.1	0	0	0	111.2	W298 T303 R307 E456	W298-I305 HydrophobicContact CB-CG1 4.08Å; W298-I305 PolarHBondContact N-O 2.74Å; W298-I305 PolarHBondContact O-N 3.07Å; T303-I305 HydrophobicContact CG2-CG2 3.92Å; I305-R307 HydrophobicContact CD1-CG 4.22Å; I305-E456 HydrophobicContact CD1-CB 3.6Å; I305-E456 HydrophobicContact CD1-CG 4.44Å; I305-E456 HydrophobicContact CG1-CB 4.36Å
306	Y	95.8	Very high	95.9	Very high	149 Å²	149	48.3 Å²	48.3	58%	0.584	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.9	165.1	-65.7	-78.5	0	0	0	109.8	T295 R296 V297	T295-Y306 HydrophobicContact CG2-CD1 3.85Å; T295-Y306 HydrophobicContact CG2-CG 4.39Å; R296-Y306 WeakPolarHBondContact O-CA 3.43Å; V297-Y306 HydrophobicContact CG2-CD1 4.11Å; V297-Y306 HydrophobicContact CG2-CE1 3.7Å
307	R	93.1	Very high	96	Very high	24 Å²	24	48.1 Å²	48.1	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.7	168	-71.6	-174.7	79.2	-168.8	9.3	109.6	T295 R296 W298 I305 L309 N337 D473	T295-R307 WeakPolarHBondContact CA-O 3.34Å; R296-R307 PolarHBondContact N-O 3.2Å; R296-R307 PolarHBondContact O-N 2.81Å; W298-R307 HydrophobicContact CB-CG 3.82Å; W298-R307 VanDerWaalsContact CD2-CD 3.4Å; W298-R307 HydrophobicContact CD2-CG 4.28Å; W298-R307 VanDerWaalsContact CG-CD 3.44Å; W298-R307 HydrophobicContact CG-CG 3.91Å; W298-R307 VanDerWaalsContact CH2-NH1 3.3Å; I305-R307 HydrophobicContact CD1-CG 4.22Å; R307-L309 HydrophobicContact CB-CD2 4.09Å; R307-L309 HydrophobicContact CB-CG 4.3Å; R307-N337 PolarHBondContact NH2-ND2 3.28Å; R307-N337 PolarHBondContact NH2-OD1 3.38Å; R307-D473 IonicContact CZ-OD1 2.71Å; R307-D473 IonicContact CZ-OD2 2.97Å; R307-D473 IonicContact NH1-OD1 2.8Å; R307-D473 PolarHBondContact NH1-OD1 3.49Å; R307-D473 IonicContact NH1-OD2 3.94Å; R307-D473 PolarHBondContact NH1-OD2 2.83Å; R307-D473 IonicContact NH2-OD1 2.71Å; R307-D473 PolarHBondContact NH2-OD1 2.62Å; R307-D473 IonicContact NH2-OD2 3.74Å
308	Y	91.9	Very high	96.1	Very high	172 Å²	172	46.1 Å²	46.1	68%	0.675	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.5	173.3	-58.3	-80.8	0	0	0	108.3	T295	T295-Y308 HydrophobicContact CG2-CD1 4.21Å; T295-Y308 HydrophobicContact CG2-CE1 4.02Å
309	L	92.5	Very high	96.2	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.5	-173	-52.1	176.8	0	0	0	109.8	N293 V294 R296 R307 E334 N337	N293-L309 CarbonylContact C-O 3.59Å; N293-L309 WeakPolarHBondContact CA-O 3.29Å; V294-L309 HydrophobicContact CG2-CB 3.83Å; V294-L309 PolarHBondContact N-O 2.9Å; V294-L309 PolarHBondContact O-N 3.18Å; R296-L309 HydrophobicContact CB-CD1 4.34Å; R296-L309 HydrophobicContact CG-CD1 3.46Å; R296-L309 VanDerWaalsContact CG-CD1 3.46Å; R296-L309 HydrophobicContact CG-CG 4.38Å; R307-L309 HydrophobicContact CB-CD2 4.09Å; R307-L309 HydrophobicContact CB-CG 4.3Å; L309-E334 VanDerWaalsContact CD1-CD 3.44Å; L309-E334 HydrophobicContact CD1-CG 4Å; L309-E334 WeakPolarHBondContact CD1-OE2 3.42Å; L309-N337 WeakPolarHBondContact CD2-ND2 3.26Å
310	T	91.8	Very high	96.2	Very high	44 Å²	44	49.2 Å²	49.2	27%	0.27	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.8	173	-57.7	0	0	0	0	109	L291 L335	L291-T310 HydrophobicContact CD1-CG2 3.66Å; L291-T310 HydrophobicContact CD2-CG2 3.7Å; L291-T310 HydrophobicContact CG-CG2 3.58Å; T310-L335 HydrophobicContact CG2-CD1 4.33Å; T310-L335 PolarHBondContact O-N 2.87Å
311	A	95.2	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142	-178.7	0	0	0	0	0	113.2	L291 S292 V294 V333	L291-A311 WeakPolarHBondContact CA-O 3.37Å; S292-A311 PolarHBondContact N-O 3.36Å; S292-A311 PolarHBondContact O-N 2.78Å; V294-A311 HydrophobicContact CB-CB 4.47Å; V294-A311 HydrophobicContact CG1-CB 3.78Å; V294-A311 HydrophobicContact CG2-CB 3.81Å; A311-V333 CarbonylContact C-O 3.59Å; A311-V333 VanDerWaalsContact CA-O 3.24Å; A311-V333 WeakPolarHBondContact CA-O 3.41Å; A311-V333 WeakPolarHBondContact CB-O 3.26Å
312	L	95.9	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.1	168.3	-73.3	169.1	0	0	0	109.5	F249 F254 V290 L291 I317 G332 V333 L335 F347 F374	F249-L312 HydrophobicContact CZ-CD1 4.47Å; F254-L312 HydrophobicContact CD2-CD2 4.13Å; F254-L312 HydrophobicContact CE2-CD2 4.19Å; F254-L312 HydrophobicContact CG-CD2 4.38Å; F254-L312 HydrophobicContact CZ-CD1 4.27Å; F254-L312 HydrophobicContact CZ-CD2 4.45Å; V290-L312 HydrophobicContact CG1-CD2 4.35Å; V290-L312 WeakPolarHBondContact O-CA 3.41Å; L291-L312 HydrophobicContact CD1-CD2 3.67Å; L291-L312 HydrophobicContact CD1-CG 4.01Å; L312-I317 HydrophobicContact CB-CD1 3.85Å; L312-I317 HydrophobicContact CB-CG2 4.45Å; L312-I317 HydrophobicContact CD1-CD1 3.77Å; L312-I317 HydrophobicContact CG-CD1 4.48Å; L312-G332 CarbonylContact O-C 3.59Å; L312-G332 WeakPolarHBondContact O-CA 3.34Å; L312-V333 PolarHBondContact N-O 3.26Å; L312-V333 PolarHBondContact O-N 3.43Å; L312-L335 HydrophobicContact CD1-CD2 3.75Å; L312-L335 HydrophobicContact CG-CD1 4.3Å; L312-L335 HydrophobicContact CG-CD2 4.06Å; L312-L335 HydrophobicContact CG-CG 4.33Å; L312-F347 HydrophobicContact CD1-CE1 4.27Å; L312-F374 HydrophobicContact CD1-CD2 3.81Å; L312-F374 HydrophobicContact CD1-CE2 4.11Å; L312-F374 HydrophobicContact CD2-CE2 4.48Å
313	K	95.9	Very high	96.5	Very high	67 Å²	67	51.2 Å²	51.2	29%	0.291	24%	0.244	S	C	.	.			trans	-134.9	23.7	-176.8	71.4	158.8	-172.8	-118.3	0	115.1	K288 V290 S292	K288-K313 WeakPolarHBondContact O-CE 3.26Å; K288-K313 PolarHBondContact O-NZ 2.86Å; V290-K313 PolarHBondContact O-N 3.04Å; S292-K313 VanDerWaalsContact CB-NZ 3.31Å; S292-K313 PolarHBondContact OG-NZ 3.09Å
314	T	98	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.236	C	C	.	.			trans	-63.1	158	172.8	53.6	0	0	0	0	111.1	M257 V290 M316 I317 L318 D377	M257-T314 HydrophobicContact CE-CG2 3.93Å; V290-T314 HydrophobicContact CB-CG2 4.19Å; V290-T314 HydrophobicContact CG1-CG2 4.15Å; V290-T314 HydrophobicContact CG2-CG2 4.09Å; T314-M316 PolarHBondContact O-N 3.45Å; T314-I317 VanDerWaalsContact O-CG2 3.27Å; T314-I317 WeakPolarHBondContact O-CG2 3.36Å; T314-I317 WeakPolarHBondContact OG1-CG2 2.95Å; T314-L318 VanDerWaalsContact O-CB 3.29Å; T314-L318 WeakPolarHBondContact O-CB 3.49Å; T314-L318 PolarHBondContact O-N 3.26Å; T314-L318 VanDerWaalsContact O-N 3.16Å; T314-D377 WeakPolarHBondContact CB-OD2 3.38Å; T314-D377 HydrophobicContact CG2-CB 4.26Å; T314-D377 WeakPolarHBondContact OG1-CB 3.45Å; T314-D377 PolarHBondContact OG1-OD2 3.35Å
315	P	98	Very high	96.5	Very high	69 Å²	69	46.8 Å²	46.8	45%	0.448	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-48.7	-164.4	-27.3	36.4	0	0	0	115.2	K319	P315-K319 VanDerWaalsContact O-CB 3.25Å; P315-K319 WeakPolarHBondContact O-CB 3.19Å; P315-K319 PolarHBondContact O-N 3.47Å
316	M	98.4	Very high	96.6	Very high	43 Å²	43	48.7 Å²	48.7	21%	0.212	22%	0.224	C	C	.	.	H	α-helix	trans	-75.5	-41.1	-174.9	-67.7	-56.3	-61.9	0	0	112.8	T314 L318 K319 M320 E376 D377 Y385	T314-M316 PolarHBondContact O-N 3.45Å; M316-L318 VanDerWaalsContact C-N 3.31Å; M316-L318 PolarHBondContact O-N 3.41Å; M316-K319 HydrophobicContact CE-CD 4.39Å; M316-K319 PolarHBondContact O-N 2.89Å; M316-K319 HydrophobicContact SD-CD 4.3Å; M316-M320 HydrophobicContact CE-CE 4.3Å; M316-M320 WeakPolarHBondContact O-CB 3.46Å; M316-M320 WeakPolarHBondContact O-CG 3.47Å; M316-M320 PolarHBondContact O-N 3.29Å; M316-E376 HydrophobicContact CG-CG 4.2Å; M316-D377 WeakPolarHBondContact CA-OD2 3.37Å; M316-D377 VanDerWaalsContact CB-OD1 3.31Å; M316-D377 WeakPolarHBondContact CB-OD1 3.02Å; M316-D377 WeakPolarHBondContact CG-OD1 3.49Å; M316-D377 VanDerWaalsContact N-CG 3.28Å; M316-D377 PolarHBondContact N-OD1 3.39Å; M316-D377 PolarHBondContact N-OD2 3.36Å; M316-Y385 HydrophobicContact CE-CE2 4.28Å; M316-Y385 VanDerWaalsContact CE-OH 3.32Å; M316-Y385 WeakPolarHBondContact CE-OH 3.26Å
317	I	98.1	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-44.7	175.5	-165.4	-173.7	0	0	0	110.9	L312 T314 M320 A321 V333 F347 I370 F374 D377	L312-I317 HydrophobicContact CB-CD1 3.85Å; L312-I317 HydrophobicContact CB-CG2 4.45Å; L312-I317 HydrophobicContact CD1-CD1 3.77Å; L312-I317 HydrophobicContact CG-CD1 4.48Å; T314-I317 VanDerWaalsContact O-CG2 3.27Å; T314-I317 WeakPolarHBondContact O-CG2 3.36Å; T314-I317 WeakPolarHBondContact OG1-CG2 2.95Å; I317-M320 PolarHBondContact O-N 3.25Å; I317-A321 WeakPolarHBondContact O-CB 3.24Å; I317-A321 PolarHBondContact O-N 3.23Å; I317-V333 HydrophobicContact CD1-CB 4.11Å; I317-V333 HydrophobicContact CD1-CG2 4.14Å; I317-V333 HydrophobicContact CG1-CB 4.49Å; I317-V333 HydrophobicContact CG1-CG2 3.97Å; I317-F347 HydrophobicContact CD1-CE1 3.74Å; I317-F347 HydrophobicContact CD1-CZ 3.85Å; I317-I370 HydrophobicContact CD1-CG2 4.44Å; I317-I370 HydrophobicContact CG1-CG2 3.81Å; I317-F374 HydrophobicContact CB-CB 4.45Å; I317-F374 HydrophobicContact CD1-CB 3.92Å; I317-F374 HydrophobicContact CD1-CD2 4.44Å; I317-F374 HydrophobicContact CG1-CB 4.22Å; I317-D377 PolarHBondContact N-OD2 3.06Å
318	L	98.3	Very high	97	Very high	29 Å²	29	45 Å²	45	15%	0.152	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-43.3	179.8	-176.4	57	0	0	0	110.8	T314 M316 M320 A321 K322 L330	T314-L318 VanDerWaalsContact O-CB 3.29Å; T314-L318 WeakPolarHBondContact O-CB 3.49Å; T314-L318 PolarHBondContact O-N 3.26Å; T314-L318 VanDerWaalsContact O-N 3.16Å; M316-L318 VanDerWaalsContact C-N 3.31Å; M316-L318 PolarHBondContact O-N 3.41Å; L318-M320 PolarHBondContact O-N 3.37Å; L318-A321 PolarHBondContact O-N 3.23Å; L318-K322 HydrophobicContact CD1-CG 4.34Å; L318-K322 HydrophobicContact CG-CD 4.44Å; L318-K322 HydrophobicContact CG-CG 4.49Å; L318-K322 VanDerWaalsContact O-CG 3.3Å; L318-K322 WeakPolarHBondContact O-CG 3.4Å; L318-K322 PolarHBondContact O-N 3.01Å; L318-L330 HydrophobicContact CD1-CB 4.36Å; L318-L330 HydrophobicContact CD1-CD2 4.24Å; L318-L330 HydrophobicContact CD1-CG 4.03Å
319	K	98.6	Very high	97.3	Very high	105 Å²	105	43.8 Å²	43.8	46%	0.457	22%	0.222	S	C	.	.	H	α-helix	trans	-57.4	-50.2	175.4	-178.3	-175.7	174.1	-179.2	0	111.7	P315 M316 A321 K322 E323	P315-K319 VanDerWaalsContact O-CB 3.25Å; P315-K319 WeakPolarHBondContact O-CB 3.19Å; P315-K319 PolarHBondContact O-N 3.47Å; M316-K319 HydrophobicContact CE-CD 4.39Å; M316-K319 PolarHBondContact O-N 2.89Å; M316-K319 HydrophobicContact SD-CD 4.3Å; K319-A321 VanDerWaalsContact C-N 3.3Å; K319-A321 PolarHBondContact O-N 3.37Å; K319-K322 PolarHBondContact O-N 3.15Å; K319-E323 WeakPolarHBondContact CE-OE1 3.5Å; K319-E323 WeakPolarHBondContact O-CG 3.43Å; K319-E323 PolarHBondContact O-N 3.09Å
320	M	98.4	Very high	97.6	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-37.5	-179.9	-66.2	-62.8	96.7	0	0	111.8	M316 I317 L318 E323 Y324 K369 I370 Y385	M316-M320 HydrophobicContact CE-CE 4.3Å; M316-M320 WeakPolarHBondContact O-CB 3.46Å; M316-M320 WeakPolarHBondContact O-CG 3.47Å; M316-M320 PolarHBondContact O-N 3.29Å; I317-M320 PolarHBondContact O-N 3.25Å; L318-M320 PolarHBondContact O-N 3.37Å; M320-E323 WeakPolarHBondContact CE-OE2 3.44Å; M320-Y324 WeakPolarHBondContact O-CB 3.42Å; M320-Y324 PolarHBondContact O-N 3.08Å; M320-K369 HydrophobicContact CB-CB 4.41Å; M320-K369 HydrophobicContact CG-CB 4.33Å; M320-K369 WeakPolarHBondContact CG-O 3.32Å; M320-K369 HydrophobicContact SD-CB 3.95Å; M320-K369 HydrophobicContact SD-CD 4.24Å; M320-I370 HydrophobicContact CB-CG1 4.34Å; M320-Y385 HydrophobicContact CG-CE1 4Å; M320-Y385 HydrophobicContact SD-CD1 4.17Å; M320-Y385 HydrophobicContact SD-CE1 3.76Å
321	A	98.4	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-44.7	175.4	0	0	0	0	0	112.4	I317 L318 K319 E323 Y324 F325 L330 V333 I370	I317-A321 WeakPolarHBondContact O-CB 3.24Å; I317-A321 PolarHBondContact O-N 3.23Å; L318-A321 PolarHBondContact O-N 3.23Å; K319-A321 VanDerWaalsContact C-N 3.3Å; K319-A321 PolarHBondContact O-N 3.37Å; A321-E323 VanDerWaalsContact C-N 3.33Å; A321-E323 PolarHBondContact O-N 3.48Å; A321-Y324 PolarHBondContact O-N 2.99Å; A321-F325 HydrophobicContact CB-CD2 4.16Å; A321-F325 HydrophobicContact CB-CE2 4.13Å; A321-F325 WeakPolarHBondContact O-CD2 3.13Å; A321-F325 PolarHBondContact O-N 3.26Å; A321-L330 HydrophobicContact CB-CD2 3.7Å; A321-V333 HydrophobicContact CB-CG2 3.43Å; A321-V333 VanDerWaalsContact CB-CG2 3.43Å; A321-I370 HydrophobicContact CB-CD1 4.18Å; A321-I370 HydrophobicContact CB-CG1 4.33Å
322	K	98.7	Very high	97.9	Very high	68 Å²	68	44.7 Å²	44.7	30%	0.296	23%	0.225	S	C	.	.	H	α-helix	trans	-56.1	-47.5	175.8	-74.3	-171.7	176.4	-161.8	0	111.9	L318 K319 N326 C327 P328 L330	L318-K322 HydrophobicContact CD1-CG 4.34Å; L318-K322 HydrophobicContact CG-CD 4.44Å; L318-K322 HydrophobicContact CG-CG 4.49Å; L318-K322 VanDerWaalsContact O-CG 3.3Å; L318-K322 WeakPolarHBondContact O-CG 3.4Å; L318-K322 PolarHBondContact O-N 3.01Å; K319-K322 PolarHBondContact O-N 3.15Å; K322-N326 VanDerWaalsContact O-CA 3.26Å; K322-N326 WeakPolarHBondContact O-CA 3.2Å; K322-N326 PolarHBondContact O-N 3.31Å; K322-C327 WeakPolarHBondContact CG-O 3.4Å; K322-C327 PolarHBondContact O-N 2.74Å; K322-C327 VanDerWaalsContact O-N 3.1Å; K322-P328 VanDerWaalsContact CE-O 3.25Å; K322-P328 WeakPolarHBondContact CE-O 3.36Å; K322-P328 PolarHBondContact NZ-O 2.94Å; K322-L330 WeakPolarHBondContact CE-O 3.49Å; K322-L330 HydrophobicContact CG-CB 3.96Å; K322-L330 PolarHBondContact NZ-O 3.19Å; K322-L330 VanDerWaalsContact NZ-O 3.14Å
323	E	98.2	Very high	97.9	Very high	101 Å²	101	45 Å²	45	47%	0.472	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-44.9	176.2	-71	174.7	-165.9	0	0	111.4	K319 M320 A321 N326	K319-E323 WeakPolarHBondContact CE-OE1 3.5Å; K319-E323 WeakPolarHBondContact O-CG 3.43Å; K319-E323 PolarHBondContact O-N 3.09Å; M320-E323 WeakPolarHBondContact CE-OE2 3.44Å; A321-E323 VanDerWaalsContact C-N 3.33Å; A321-E323 PolarHBondContact O-N 3.48Å; E323-N326 PolarHBondContact O-N 3.34Å
324	Y	97.8	Very high	97.9	Very high	31 Å²	31	42 Å²	42	12%	0.122	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-50.1	-178.8	-178	-102.9	0	0	0	112.7	M320 A321 N326 I352 I370 M391 Y393 K395 H396	M320-Y324 WeakPolarHBondContact O-CB 3.42Å; M320-Y324 PolarHBondContact O-N 3.08Å; A321-Y324 PolarHBondContact O-N 2.99Å; Y324-N326 VanDerWaalsContact C-N 3.35Å; Y324-I352 HydrophobicContact CD1-CG2 4.4Å; Y324-I352 HydrophobicContact CE1-CG2 3.9Å; Y324-I370 HydrophobicContact CD1-CD1 3.86Å; Y324-I370 HydrophobicContact CG-CD1 4Å; Y324-M391 HydrophobicContact CE1-CE 4.5Å; Y324-M391 HydrophobicContact CE2-CB 4.23Å; Y324-M391 HydrophobicContact CE2-CE 4.2Å; Y324-M391 WeakPolarHBondContact OH-CB 3.42Å; Y324-M391 PolarHBondContact OH-O 3.34Å; Y324-Y393 WeakPolarHBondContact CE1-O 3.3Å; Y324-Y393 PolarHBondContact OH-O 3.27Å; Y324-K395 HydrophobicContact CD2-CG 4.32Å; Y324-K395 HydrophobicContact CE1-CB 4.42Å; Y324-K395 HydrophobicContact CE2-CB 3.94Å; Y324-K395 HydrophobicContact CE2-CD 4.36Å; Y324-K395 HydrophobicContact CE2-CG 4.03Å; Y324-K395 WeakPolarHBondContact O-CA 3.42Å; Y324-H396 PolarHBondContact O-CD2 2.98Å; Y324-H396 PolarHBondContact O-N 2.92Å
325	F	98.2	Very high	97.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-80.8	-16.1	-178.5	-65.2	-63.6	0	0	0	113.3	A321 C327 L330 L351 I352 I370 G394 H396 L397 G398 F401 V402	A321-F325 HydrophobicContact CB-CD2 4.16Å; A321-F325 HydrophobicContact CB-CE2 4.13Å; A321-F325 WeakPolarHBondContact O-CD2 3.13Å; A321-F325 PolarHBondContact O-N 3.26Å; F325-C327 HydrophobicContact CB-CB 4.26Å; F325-L330 HydrophobicContact CD2-CD2 4.01Å; F325-L330 HydrophobicContact CE2-CD2 4.44Å; F325-L351 HydrophobicContact CE1-CB 4.4Å; F325-L351 WeakPolarHBondContact CE1-O 3.43Å; F325-L351 HydrophobicContact CZ-CB 3.99Å; F325-I352 HydrophobicContact CE1-CG2 4Å; F325-I352 HydrophobicContact CZ-CG2 3.62Å; F325-I370 HydrophobicContact CE2-CD1 4.28Å; F325-G394 WeakPolarHBondContact CD1-O 3.41Å; F325-H396 CarbonylContact O-C 3.54Å; F325-H396 WeakPolarHBondContact O-CA 3.4Å; F325-L397 PolarHBondContact O-N 2.91Å; F325-G398 WeakPolarHBondContact O-CA 3.49Å; F325-G398 PolarHBondContact O-N 2.85Å; F325-F401 HydrophobicContact CD1-CD1 4.49Å; F325-F401 HydrophobicContact CE1-CE1 4.38Å; F325-V402 HydrophobicContact CB-CG2 3.57Å; F325-V402 HydrophobicContact CD1-CG2 3.36Å; F325-V402 HydrophobicContact CD2-CG1 4.39Å; F325-V402 HydrophobicContact CD2-CG2 3.8Å; F325-V402 HydrophobicContact CE1-CG2 3.92Å; F325-V402 HydrophobicContact CE2-CG1 4.42Å; F325-V402 HydrophobicContact CE2-CG2 4.3Å; F325-V402 HydrophobicContact CG-CG2 3.31Å; F325-V402 HydrophobicContact CZ-CG2 4.34Å
326	N	98.3	Very high	97.2	Very high	100 Å²	100	39 Å²	39	54%	0.535	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	47.4	-165.6	-168.5	36	0	0	0	112	K322 E323 Y324 H396	K322-N326 VanDerWaalsContact O-CA 3.26Å; K322-N326 WeakPolarHBondContact O-CA 3.2Å; K322-N326 PolarHBondContact O-N 3.31Å; E323-N326 PolarHBondContact O-N 3.34Å; Y324-N326 VanDerWaalsContact C-N 3.35Å; N326-H396 HydrophobicContact CB-CB 4.22Å
327	C	98.5	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-124.9	94.1	177.7	178.1	0	0	0	0	111.3	K322 F325 E329 L330 C399	K322-C327 WeakPolarHBondContact CG-O 3.4Å; K322-C327 PolarHBondContact O-N 2.74Å; K322-C327 VanDerWaalsContact O-N 3.1Å; F325-C327 HydrophobicContact CB-CB 4.26Å; C327-E329 PolarHBondContact O-N 2.89Å; C327-L330 HydrophobicContact CB-CB 4.4Å; C327-L330 WeakPolarHBondContact O-CB 2.96Å; C327-L330 PolarHBondContact O-N 3.49Å; C327-L330 PolarHBondContact SG-N 3.25Å; C327-C399 WeakPolarHBondContact CA-SG 3.33Å; C327-C399 HydrophobicContact CB-CB 4.02Å; C327-C399 WeakPolarHBondContact CB-SG 3.49Å; C327-C399 WeakPolarHBondContact SG-CA 3.43Å; C327-C399 WeakPolarHBondContact SG-CB 3.44Å; C327-C399 CovalentContact SG-SG 2.04Å; C327-C399 PolarHBondContact SG-SG 2.98Å
328	P	98.3	Very high	95	Very high	96 Å²	96	40.7 Å²	40.7	62%	0.623	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.8	178.5	-24.9	35.5	0	0	0	114.3	K322 L330	K322-P328 VanDerWaalsContact CE-O 3.25Å; K322-P328 WeakPolarHBondContact CE-O 3.36Å; K322-P328 PolarHBondContact NZ-O 2.94Å; P328-L330 VanDerWaalsContact C-N 3.29Å; P328-L330 PolarHBondContact O-N 3.4Å
329	E	98	Very high	93.2	Very high	146 Å²	146	41.9 Å²	41.9	68%	0.682	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.9	-177.5	-62.8	175	-160.1	0	0	113.7	C327 D331 M403	C327-E329 PolarHBondContact O-N 2.89Å; E329-D331 PolarHBondContact O-N 2.77Å; E329-M403 HydrophobicContact CB-SD 4.3Å
330	L	98.1	Very high	91	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	24%	0.236	C	C	.	.			trans	-55.4	128.8	-177.9	-170.6	61.9	0	0	0	111	L318 A321 K322 F325 C327 P328 G332 V402 M403	L318-L330 HydrophobicContact CD1-CB 4.36Å; L318-L330 HydrophobicContact CD1-CD2 4.24Å; L318-L330 HydrophobicContact CD1-CG 4.03Å; A321-L330 HydrophobicContact CB-CD2 3.7Å; K322-L330 WeakPolarHBondContact CE-O 3.49Å; K322-L330 HydrophobicContact CG-CB 3.96Å; K322-L330 PolarHBondContact NZ-O 3.19Å; K322-L330 VanDerWaalsContact NZ-O 3.14Å; F325-L330 HydrophobicContact CD2-CD2 4.01Å; F325-L330 HydrophobicContact CE2-CD2 4.44Å; C327-L330 HydrophobicContact CB-CB 4.4Å; C327-L330 WeakPolarHBondContact O-CB 2.96Å; C327-L330 PolarHBondContact O-N 3.49Å; C327-L330 PolarHBondContact SG-N 3.25Å; P328-L330 VanDerWaalsContact C-N 3.29Å; P328-L330 PolarHBondContact O-N 3.4Å; L330-G332 VanDerWaalsContact CD1-O 3.27Å; L330-G332 WeakPolarHBondContact CD1-O 3.44Å; L330-G332 WeakPolarHBondContact CG-O 3.34Å; L330-V402 HydrophobicContact CD1-CG1 3.54Å; L330-M403 HydrophobicContact CD1-CG 4.39Å
331	D	96.6	Very high	88.5	Confident	63 Å²	63	50 Å²	50	34%	0.337	25%	0.251	S	S	.	.			trans	-105.1	-3	-174	59.6	-3.9	0	0	0	113.4	R296 E329	R296-D331 IonicContact CZ-OD1 2.75Å; R296-D331 VanDerWaalsContact CZ-OD1 3.23Å; R296-D331 IonicContact CZ-OD2 3.36Å; R296-D331 VanDerWaalsContact NH1-CG 3.31Å; R296-D331 IonicContact NH1-OD1 2.79Å; R296-D331 PolarHBondContact NH1-OD1 3.41Å; R296-D331 IonicContact NH1-OD2 3.83Å; R296-D331 PolarHBondContact NH1-OD2 2.99Å; R296-D331 IonicContact NH2-OD1 3.49Å; R296-D331 PolarHBondContact NH2-OD1 3.37Å; R296-D331 IonicContact NH2-OD2 3.49Å; E329-D331 PolarHBondContact O-N 2.77Å
332	G	97.3	Very high	85.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	27%	0.274	C	S	.	.			trans	172.2	165.6	176.8	0	0	0	0	0	111.8	L312 L330	L312-G332 CarbonylContact O-C 3.59Å; L312-G332 WeakPolarHBondContact O-CA 3.34Å; L330-G332 VanDerWaalsContact CD1-O 3.27Å; L330-G332 WeakPolarHBondContact CD1-O 3.44Å; L330-G332 WeakPolarHBondContact CG-O 3.34Å
333	V	96.6	Very high	83.5	Confident	6 Å²	6	53.1 Å²	53.1	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.2	170.5	-174.2	0	0	0	0	108.4	A311 L312 I317 A321 F347 I370	A311-V333 CarbonylContact C-O 3.59Å; A311-V333 VanDerWaalsContact CA-O 3.24Å; A311-V333 WeakPolarHBondContact CA-O 3.41Å; A311-V333 WeakPolarHBondContact CB-O 3.26Å; L312-V333 PolarHBondContact N-O 3.26Å; L312-V333 PolarHBondContact O-N 3.43Å; I317-V333 HydrophobicContact CD1-CB 4.11Å; I317-V333 HydrophobicContact CD1-CG2 4.14Å; I317-V333 HydrophobicContact CG1-CB 4.49Å; I317-V333 HydrophobicContact CG1-CG2 3.97Å; A321-V333 HydrophobicContact CB-CG2 3.43Å; A321-V333 VanDerWaalsContact CB-CG2 3.43Å; V333-F347 HydrophobicContact CB-CE1 4.39Å; V333-F347 HydrophobicContact CG1-CD1 3.65Å; V333-F347 HydrophobicContact CG1-CE1 3.59Å; V333-I370 HydrophobicContact CG1-CG2 4.26Å; V333-I370 HydrophobicContact CG2-CG2 4.4Å
334	E	94.9	Very high	81.8	Confident	3 Å²	3	50.3 Å²	50.3	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.5	-176.1	-65.2	168.1	-164.2	0	0	110.9	V294 R296 L309 E348 R350 L351	V294-E334 HydrophobicContact CG2-CG 4.42Å; R296-E334 IonicContact CZ-OE1 2.81Å; R296-E334 IonicContact NE-OE1 3.82Å; R296-E334 PolarHBondContact NE-OE1 3.28Å; R296-E334 IonicContact NH2-OE1 3.91Å; R296-E334 PolarHBondContact NH2-OE1 3.35Å; R296-E334 VanDerWaalsContact NH2-OE1 3.09Å; L309-E334 VanDerWaalsContact CD1-CD 3.44Å; L309-E334 HydrophobicContact CD1-CG 4Å; L309-E334 WeakPolarHBondContact CD1-OE2 3.42Å; E334-E348 HydrophobicContact CB-CB 3.72Å; E334-E348 HydrophobicContact CB-CG 4.26Å; E334-E348 WeakPolarHBondContact O-CB 3.36Å; E334-E348 PolarHBondContact O-N 2.64Å; E334-R350 IonicContact OE1-NH2 2.86Å; E334-R350 IonicContact OE2-NH2 3.64Å; E334-R350 PolarHBondContact OE2-NH2 3Å; E334-L351 HydrophobicContact CB-CD1 3.91Å; E334-L351 HydrophobicContact CG-CD1 4.14Å
335	L	92.9	Very high	80.9	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-93.8	150.7	169	-61.2	-178.8	0	0	0	109.8	F254 L291 T310 L312 N337 A343 H346 F347	F254-L335 HydrophobicContact CE2-CD1 3.81Å; L291-L335 HydrophobicContact CD1-CD1 3.68Å; T310-L335 HydrophobicContact CG2-CD1 4.33Å; T310-L335 PolarHBondContact O-N 2.87Å; L312-L335 HydrophobicContact CD1-CD2 3.75Å; L312-L335 HydrophobicContact CG-CD1 4.3Å; L312-L335 HydrophobicContact CG-CD2 4.06Å; L312-L335 HydrophobicContact CG-CG 4.33Å; L335-N337 PolarHBondContact O-N 2.72Å; L335-A343 HydrophobicContact CB-CB 3.71Å; L335-A343 HydrophobicContact CD1-CB 4.24Å; L335-H346 CarbonylContact C-O 3.56Å; L335-H346 VanDerWaalsContact CA-O 3.24Å; L335-H346 WeakPolarHBondContact CA-O 3.49Å; L335-H346 WeakPolarHBondContact CB-O 3.46Å; L335-H346 VanDerWaalsContact CD2-O 3.32Å; L335-H346 WeakPolarHBondContact CD2-O 3.44Å; L335-F347 HydrophobicContact CD2-CD1 4.21Å
336	D	88.6	Confident	80.6	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-55.8	134.5	177.5	173	61.6	0	0	0	111.7	N338 A343 H346 P359	D336-N338 WeakPolarHBondContact OD1-CB 3.28Å; D336-N338 PolarHBondContact OD1-N 2.87Å; D336-N338 PolarHBondContact OD1-ND2 3.35Å; D336-A343 WeakPolarHBondContact O-CB 3.32Å; D336-H346 HydrophobicContact CB-CB 4.09Å; D336-H346 PolarHBondContact N-O 3.02Å; D336-P359 HydrophobicContact CB-CB 4.48Å; D336-P359 HydrophobicContact CB-CG 4.03Å
337	N	80.2	Confident	80.4	Confident	54 Å²	54	44.1 Å²	44.1	29%	0.289	22%	0.219	S	C	.	.			trans	-119.4	9	-176.7	65	20.3	0	0	0	113.7	R307 L309 L335 D339	R307-N337 PolarHBondContact NH2-ND2 3.28Å; R307-N337 PolarHBondContact NH2-OD1 3.38Å; L309-N337 WeakPolarHBondContact CD2-ND2 3.26Å; L335-N337 PolarHBondContact O-N 2.72Å; N337-D339 VanDerWaalsContact C-N 3.29Å; N337-D339 PolarHBondContact O-N 3.28Å
338	N	69.3	Low	80.2	Confident	25 Å²	25	44.2 Å²	44.2	13%	0.134	22%	0.219	C	C	.	.	S	Bend	trans	-72.8	-21.1	-176.4	-77.4	-75.8	0	0	0	113.6	D336 F471	D336-N338 WeakPolarHBondContact OD1-CB 3.28Å; D336-N338 PolarHBondContact OD1-N 2.87Å; D336-N338 PolarHBondContact OD1-ND2 3.35Å; N338-F471 HydrophobicContact CB-CD1 3.98Å; N338-F471 HydrophobicContact CB-CE1 4.16Å
339	D	61.5	Low	80	Confident	53 Å²	53	39.7 Å²	39.7	28%	0.283	19%	0.19	S	C	.	.	S	Bend	trans	-108.8	129.6	174.4	-81.6	-13.4	0	0	0	110.8	N337 M341 R344	N337-D339 VanDerWaalsContact C-N 3.29Å; N337-D339 PolarHBondContact O-N 3.28Å; D339-M341 PolarHBondContact O-N 3.2Å; D339-M341 VanDerWaalsContact O-N 3.15Å; D339-R344 IonicContact OD2-CZ 3.19Å; D339-R344 IonicContact OD2-NH1 2.86Å; D339-R344 PolarHBondContact OD2-NH1 2.86Å; D339-R344 IonicContact OD2-NH2 2.72Å
340	Q	51.6	Low	79.9	Confident	210 Å²	210	32.8 Å²	32.8	98%	0.981	16%	0.157	S	C	*	.	S	Bend	trans	-61.6	-23.1	-175.7	-70	-175.9	-13.5	0	0	114.6	Y342	Q340-Y342 PolarHBondContact O-N 2.87Å
341	M	46.1	Very low	79.8	Confident	81 Å²	81	32.8 Å²	32.8	40%	0.399	16%	0.157	S	C	.	.	S	Bend	trans	-86.4	107.1	179.8	-169	75.4	75.2	0	0	108.2	D339 A343	D339-M341 PolarHBondContact O-N 3.2Å; D339-M341 VanDerWaalsContact O-N 3.15Å; M341-A343 PolarHBondContact O-N 2.86Å
342	Y	43.4	Very low	79.6	Confident	121 Å²	121	29.9 Å²	29.9	48%	0.475	14%	0.142	S	C	.	.	S	Bend	trans	1.5	91.1	174	-69.6	-66.8	0	0	0	112.3	D279 Q340 R344	D279-Y342 WeakPolarHBondContact OD2-CE2 3.36Å; D279-Y342 VanDerWaalsContact OD2-CZ 3.3Å; D279-Y342 PolarHBondContact OD2-OH 3.19Å; Q340-Y342 PolarHBondContact O-N 2.87Å; Y342-R344 PolarHBondContact O-N 2.97Å; Y342-R344 VanDerWaalsContact O-N 3.09Å
343	A	48.9	Very low	79.4	Confident	13 Å²	13	30.6 Å²	30.6	11%	0.107	15%	0.145	C	C	.	.			trans	-0.6	101	170.1	0	0	0	0	0	110.9	L335 D336 M341 G345	L335-A343 HydrophobicContact CB-CB 3.71Å; L335-A343 HydrophobicContact CD1-CB 4.24Å; D336-A343 WeakPolarHBondContact O-CB 3.32Å; M341-A343 PolarHBondContact O-N 2.86Å; A343-G345 PolarHBondContact O-N 2.91Å
344	R	62.4	Low	79.1	Confident	41 Å²	41	30.6 Å²	30.6	16%	0.155	15%	0.145	C	C	.	.			trans	-58.9	24	-166.9	-71.5	-179.4	174.2	129.6	11.7	115.4	L39 H245 D339 Y342	L39-R344 HydrophobicContact CB-CG 4.49Å; L39-R344 HydrophobicContact CD1-CB 3.84Å; L39-R344 HydrophobicContact CD1-CG 4.23Å; L39-R344 WeakPolarHBondContact CD1-O 3.29Å; L39-R344 HydrophobicContact CG-CB 4.11Å; L39-R344 HydrophobicContact CG-CG 4.3Å; H245-R344 PolarHBondContact CE1-O 3.11Å; D339-R344 IonicContact OD2-CZ 3.19Å; D339-R344 IonicContact OD2-NH1 2.86Å; D339-R344 PolarHBondContact OD2-NH1 2.86Å; D339-R344 IonicContact OD2-NH2 2.72Å; Y342-R344 PolarHBondContact O-N 2.97Å; Y342-R344 VanDerWaalsContact O-N 3.09Å
345	G	79.2	Confident	79.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	69.5	58.5	-163.4	0	0	0	0	0	109.1	H245 F249 A343	H245-G345 PolarHBondContact CE1-O 3.27Å; H245-G345 VanDerWaalsContact CE1-O 3.23Å; F249-G345 WeakPolarHBondContact CD1-O 3.43Å; F249-G345 WeakPolarHBondContact CE1-O 3.49Å; A343-G345 PolarHBondContact O-N 2.91Å
346	H	91.3	Very high	79.2	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.019	14%	0.144	C	C	.	.			trans	-126.4	145.8	166.7	-53.8	129.7	0	0	0	110.3	H241 H245 L335 D336 M357 P359	H241-H346 AromaticContact CE1-CD2 3.62Å; H241-H346 AromaticContact CE1-NE2 3.72Å; H241-H346 AromaticContact NE2-CD2 3.82Å; H241-H346 AromaticContact NE2-NE2 3.49Å; H241-H346 PolarHBondContact NE2-NE2 3.24Å; H245-H346 AromaticContact CE1-CD2 3.55Å; H245-H346 AromaticContact CE1-NE2 3.4Å; H245-H346 PolarHBondContact CE1-NE2 3.45Å; H245-H346 AromaticContact NE2-CD2 3.72Å; H245-H346 AromaticContact NE2-NE2 3.19Å; H245-H346 PolarHBondContact NE2-NE2 2.83Å; H245-H346 VanDerWaalsContact NE2-NE2 3.19Å; L335-H346 CarbonylContact C-O 3.56Å; L335-H346 VanDerWaalsContact CA-O 3.24Å; L335-H346 WeakPolarHBondContact CA-O 3.49Å; L335-H346 WeakPolarHBondContact CB-O 3.46Å; L335-H346 VanDerWaalsContact CD2-O 3.32Å; L335-H346 WeakPolarHBondContact CD2-O 3.44Å; D336-H346 HydrophobicContact CB-CB 4.09Å; D336-H346 PolarHBondContact N-O 3.02Å; H346-M357 CarbonylContact C-O 3.59Å; H346-M357 WeakPolarHBondContact CA-O 3.21Å; H346-M357 WeakPolarHBondContact CB-O 3.05Å; H346-P359 HydrophobicContact CB-CB 4.09Å; H346-P359 HydrophobicContact CB-CG 4.47Å
347	F	94.6	Very high	79.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-74.1	150.5	170.6	-72	-50.8	0	0	0	112.4	F249 L312 I317 V333 L335 K349 I352 E355 M357 T358 P359 I370 T371	F249-F347 HydrophobicContact CE2-CD2 4.43Å; F249-F347 AromaticContact CE2-CE1 3.97Å; F249-F347 HydrophobicContact CE2-CE1 3.97Å; F249-F347 AromaticContact CE2-CE2 3.62Å; F249-F347 HydrophobicContact CE2-CE2 3.62Å; F249-F347 AromaticContact CE2-CZ 3.35Å; F249-F347 HydrophobicContact CE2-CZ 3.35Å; F249-F347 AromaticContact CZ-CD1 3.93Å; F249-F347 HydrophobicContact CZ-CD1 3.93Å; F249-F347 AromaticContact CZ-CD2 3.86Å; F249-F347 HydrophobicContact CZ-CD2 3.86Å; F249-F347 AromaticContact CZ-CE1 3.54Å; F249-F347 HydrophobicContact CZ-CE1 3.54Å; F249-F347 AromaticContact CZ-CE2 3.47Å; F249-F347 HydrophobicContact CZ-CE2 3.47Å; F249-F347 VanDerWaalsContact CZ-CE2 3.47Å; F249-F347 HydrophobicContact CZ-CG 4.08Å; F249-F347 AromaticContact CZ-CZ 3.31Å; F249-F347 HydrophobicContact CZ-CZ 3.31Å; L312-F347 HydrophobicContact CD1-CE1 4.27Å; I317-F347 HydrophobicContact CD1-CE1 3.74Å; I317-F347 HydrophobicContact CD1-CZ 3.85Å; V333-F347 HydrophobicContact CB-CE1 4.39Å; V333-F347 HydrophobicContact CG1-CD1 3.65Å; V333-F347 HydrophobicContact CG1-CE1 3.59Å; L335-F347 HydrophobicContact CD2-CD1 4.21Å; F347-K349 PolarHBondContact O-N 3.32Å; F347-K349 VanDerWaalsContact O-N 3.09Å; F347-I352 HydrophobicContact CB-CD1 3.4Å; F347-I352 VanDerWaalsContact CB-CD1 3.4Å; F347-I352 HydrophobicContact CB-CG1 4.1Å; F347-I352 HydrophobicContact CD1-CD1 4.28Å; F347-I352 HydrophobicContact CD2-CD1 3.58Å; F347-I352 HydrophobicContact CE2-CD1 4.39Å; F347-I352 HydrophobicContact CG-CD1 3.51Å; F347-E355 HydrophobicContact CD2-CG 4.44Å; F347-M357 HydrophobicContact CD2-CB 3.94Å; F347-M357 HydrophobicContact CE2-CB 4.25Å; F347-M357 PolarHBondContact N-O 3.09Å; F347-T358 HydrophobicContact CB-CG2 4.47Å; F347-P359 VanDerWaalsContact O-CD 3.24Å; F347-P359 WeakPolarHBondContact O-CD 3.49Å; F347-I370 HydrophobicContact CE1-CG2 4.42Å; F347-I370 HydrophobicContact CE2-CG2 4.38Å; F347-I370 HydrophobicContact CZ-CG2 3.95Å; F347-T371 WeakPolarHBondContact CE2-OG1 3.18Å
348	E	94.2	Very high	80.1	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.129	C	C	.	.			trans	-62.2	107.1	171.4	178.4	46.3	-111.7	0	0	110.5	E334 R350 L351 I352	E334-E348 HydrophobicContact CB-CB 3.72Å; E334-E348 HydrophobicContact CB-CG 4.26Å; E334-E348 WeakPolarHBondContact O-CB 3.36Å; E334-E348 PolarHBondContact O-N 2.64Å; E348-R350 HydrophobicContact CG-CB 4.06Å; E348-R350 PolarHBondContact O-N 2.99Å; E348-R350 WeakPolarHBondContact OE1-CB 3.09Å; E348-R350 PolarHBondContact OE1-N 2.94Å; E348-L351 HydrophobicContact CB-CD1 4.28Å; E348-L351 HydrophobicContact CB-CG 4.35Å; E348-L351 HydrophobicContact CG-CD1 4.32Å; E348-L351 HydrophobicContact CG-CG 4.02Å; E348-L351 WeakPolarHBondContact O-CB 3.27Å; E348-L351 PolarHBondContact O-N 3.32Å; E348-L351 VanDerWaalsContact O-N 3.08Å; E348-I352 PolarHBondContact O-N 3.32Å
349	K	93.9	Very high	80.8	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.009	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.8	-173.3	-171.6	-179.2	176.4	68.3	0	111.9	F347 L351 I352 D353 T358 L360 S362 D469 F471 R472	F347-K349 PolarHBondContact O-N 3.32Å; F347-K349 VanDerWaalsContact O-N 3.09Å; K349-L351 PolarHBondContact O-N 3.16Å; K349-L351 VanDerWaalsContact O-N 3.13Å; K349-I352 CarbonylContact O-C 3.5Å; K349-I352 PolarHBondContact O-N 2.65Å; K349-D353 WeakPolarHBondContact CE-OD1 3.3Å; K349-D353 PolarHBondContact NZ-O 2.73Å; K349-D353 IonicContact NZ-OD1 3.76Å; K349-D353 PolarHBondContact NZ-OD1 2.59Å; K349-D353 WeakPolarHBondContact O-CA 3.39Å; K349-D353 PolarHBondContact O-N 3.45Å; K349-T358 HydrophobicContact CB-CG2 3.96Å; K349-T358 HydrophobicContact CG-CG2 4Å; K349-L360 HydrophobicContact CD-CB 4.29Å; K349-L360 WeakPolarHBondContact CE-O 3.02Å; K349-L360 PolarHBondContact NZ-O 3.48Å; K349-S362 PolarHBondContact NZ-OG 3.46Å; K349-D469 WeakPolarHBondContact CD-OD2 3.44Å; K349-D469 WeakPolarHBondContact CE-OD2 3.22Å; K349-F471 HydrophobicContact CB-CB 4.28Å; K349-F471 WeakPolarHBondContact CB-O 3.25Å; K349-F471 HydrophobicContact CD-CB 3.98Å; K349-R472 HydrophobicContact CB-CG 4.42Å; K349-R472 HydrophobicContact CD-CG 4.22Å; K349-R472 HydrophobicContact CG-CG 3.98Å
350	R	95.5	Very high	81.9	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.4	173.6	-179.3	-170.5	62.6	92.8	-7.7	112.3	E334 E348 Y393 F401 V402 K404 Y423 D473 C475	E334-R350 IonicContact OE1-NH2 2.86Å; E334-R350 IonicContact OE2-NH2 3.64Å; E334-R350 PolarHBondContact OE2-NH2 3Å; E348-R350 HydrophobicContact CG-CB 4.06Å; E348-R350 PolarHBondContact O-N 2.99Å; E348-R350 WeakPolarHBondContact OE1-CB 3.09Å; E348-R350 PolarHBondContact OE1-N 2.94Å; R350-Y393 WeakPolarHBondContact O-CE1 3.42Å; R350-Y393 PolarHBondContact O-OH 3.49Å; R350-F401 PolarHBondContact NH1-O 3.31Å; R350-V402 PolarHBondContact NH2-O 2.9Å; R350-V402 VanDerWaalsContact NH2-O 3.09Å; R350-K404 PolarHBondContact NH1-O 3.31Å; R350-Y423 WeakPolarHBondContact CG-OH 3.5Å; R350-Y423 PolarHBondContact O-OH 3.1Å; R350-D473 WeakPolarHBondContact CD-OD2 3.39Å; R350-D473 IonicContact NE-OD2 2.71Å; R350-D473 PolarHBondContact NE-OD2 3.24Å; R350-C475 HydrophobicContact CG-CB 4.48Å
351	L	95.8	Very high	83.5	Confident	3 Å²	3	15.2 Å²	15.2	2%	0.016	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-38.3	-177.3	-63.3	-176.3	0	0	0	113.1	F325 E334 E348 K349 V402	F325-L351 HydrophobicContact CE1-CB 4.4Å; F325-L351 WeakPolarHBondContact CE1-O 3.43Å; F325-L351 HydrophobicContact CZ-CB 3.99Å; E334-L351 HydrophobicContact CB-CD1 3.91Å; E334-L351 HydrophobicContact CG-CD1 4.14Å; E348-L351 HydrophobicContact CB-CD1 4.28Å; E348-L351 HydrophobicContact CB-CG 4.35Å; E348-L351 HydrophobicContact CG-CD1 4.32Å; E348-L351 HydrophobicContact CG-CG 4.02Å; E348-L351 WeakPolarHBondContact O-CB 3.27Å; E348-L351 PolarHBondContact O-N 3.32Å; E348-L351 VanDerWaalsContact O-N 3.08Å; K349-L351 PolarHBondContact O-N 3.16Å; K349-L351 VanDerWaalsContact O-N 3.13Å; L351-V402 HydrophobicContact CD1-CG1 3.94Å; L351-V402 HydrophobicContact CD2-CB 4.22Å; L351-V402 HydrophobicContact CD2-CG1 3.85Å; L351-V402 WeakPolarHBondContact CD2-O 3.49Å
352	I	93.3	Very high	85.5	Confident	3 Å²	3	12.3 Å²	12.3	2%	0.015	6%	0.058	C	C	.	.			trans	-141	72.6	-171.3	41	163.7	0	0	0	110.6	Y324 F325 F347 E348 K349 N354 E355 T358 I370 M391	Y324-I352 HydrophobicContact CD1-CG2 4.4Å; Y324-I352 HydrophobicContact CE1-CG2 3.9Å; F325-I352 HydrophobicContact CE1-CG2 4Å; F325-I352 HydrophobicContact CZ-CG2 3.62Å; F347-I352 HydrophobicContact CB-CD1 3.4Å; F347-I352 VanDerWaalsContact CB-CD1 3.4Å; F347-I352 HydrophobicContact CB-CG1 4.1Å; F347-I352 HydrophobicContact CD1-CD1 4.28Å; F347-I352 HydrophobicContact CD2-CD1 3.58Å; F347-I352 HydrophobicContact CE2-CD1 4.39Å; F347-I352 HydrophobicContact CG-CD1 3.51Å; E348-I352 PolarHBondContact O-N 3.32Å; K349-I352 CarbonylContact O-C 3.5Å; K349-I352 PolarHBondContact O-N 2.65Å; I352-N354 PolarHBondContact O-N 2.99Å; I352-E355 HydrophobicContact CB-CB 4.03Å; I352-E355 HydrophobicContact CB-CG 4.45Å; I352-E355 HydrophobicContact CD1-CB 3.84Å; I352-E355 HydrophobicContact CD1-CG 3.78Å; I352-E355 HydrophobicContact CG1-CB 4.22Å; I352-E355 WeakPolarHBondContact O-CB 3.28Å; I352-E355 PolarHBondContact O-N 3.15Å; I352-T358 WeakPolarHBondContact O-CG2 3.33Å; I352-I370 HydrophobicContact CG2-CD1 4.24Å; I352-M391 HydrophobicContact CG2-CE 4.45Å
353	D	92.4	Very high	87.3	Confident	15 Å²	15	7 Å²	7	8%	0.08	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-51.9	-169.1	179.6	83.5	0	0	0	114.3	K349 E355 S362 Y393 R472	K349-D353 WeakPolarHBondContact CE-OD1 3.3Å; K349-D353 PolarHBondContact NZ-O 2.73Å; K349-D353 IonicContact NZ-OD1 3.76Å; K349-D353 PolarHBondContact NZ-OD1 2.59Å; K349-D353 WeakPolarHBondContact O-CA 3.39Å; K349-D353 PolarHBondContact O-N 3.45Å; D353-E355 VanDerWaalsContact C-N 3.32Å; D353-E355 PolarHBondContact O-N 3.48Å; D353-S362 PolarHBondContact O-OG 2.84Å; D353-S362 PolarHBondContact OD2-OG 3.44Å; D353-Y393 HydrophobicContact CB-CD1 3.73Å; D353-Y393 HydrophobicContact CB-CD2 3.59Å; D353-Y393 HydrophobicContact CB-CE1 3.89Å; D353-Y393 HydrophobicContact CB-CE2 3.74Å; D353-Y393 HydrophobicContact CB-CG 3.59Å; D353-Y393 VanDerWaalsContact N-CD1 3.29Å; D353-R472 WeakPolarHBondContact OD1-CD 3.44Å; D353-R472 IonicContact OD1-CZ 2.67Å; D353-R472 IonicContact OD1-NE 2.91Å; D353-R472 IonicContact OD1-NH1 2.76Å; D353-R472 PolarHBondContact OD1-NH1 3.47Å
354	N	91.6	Very high	89.2	Confident	7 Å²	7	8.5 Å²	8.5	4%	0.037	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	26.6	-172.7	57.7	-1.5	0	0	0	113.2	I352 R364 S365 Y366 E438	I352-N354 PolarHBondContact O-N 2.99Å; N354-R364 WeakPolarHBondContact CB-O 3.33Å; N354-S365 CarbonylContact O-C 3.47Å; N354-S365 WeakPolarHBondContact O-CA 3.49Å; N354-Y366 HydrophobicContact CB-CD2 3.93Å; N354-Y366 HydrophobicContact CB-CE2 4.11Å; N354-Y366 WeakPolarHBondContact ND2-CE2 3.39Å; N354-Y366 WeakPolarHBondContact O-CD2 3.42Å; N354-Y366 PolarHBondContact O-N 2.89Å; N354-E438 PolarHBondContact ND2-OE1 2.95Å
355	E	94.8	Very high	90.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-85.4	138.7	174.6	-142.4	-67.6	145.7	0	0	111	F347 I352 D353 M357 T358 S368 T371 M391	F347-E355 HydrophobicContact CD2-CG 4.44Å; I352-E355 HydrophobicContact CB-CB 4.03Å; I352-E355 HydrophobicContact CB-CG 4.45Å; I352-E355 HydrophobicContact CD1-CB 3.84Å; I352-E355 HydrophobicContact CD1-CG 3.78Å; I352-E355 HydrophobicContact CG1-CB 4.22Å; I352-E355 WeakPolarHBondContact O-CB 3.28Å; I352-E355 PolarHBondContact O-N 3.15Å; D353-E355 VanDerWaalsContact C-N 3.32Å; D353-E355 PolarHBondContact O-N 3.48Å; E355-M357 VanDerWaalsContact C-N 3.3Å; E355-M357 PolarHBondContact O-N 2.85Å; E355-M357 WeakPolarHBondContact OE2-CB 3.28Å; E355-M357 PolarHBondContact OE2-N 3.31Å; E355-T358 HydrophobicContact CB-CG2 4.04Å; E355-T358 PolarHBondContact O-N 2.77Å; E355-T358 PolarHBondContact O-OG1 2.97Å; E355-S368 WeakPolarHBondContact CG-OG 3.35Å; E355-S368 WeakPolarHBondContact OE1-CB 3.35Å; E355-S368 PolarHBondContact OE1-N 3.23Å; E355-S368 VanDerWaalsContact OE1-N 3.09Å; E355-S368 PolarHBondContact OE1-OG 3.17Å; E355-T371 VanDerWaalsContact OE1-CB 3.29Å; E355-T371 WeakPolarHBondContact OE1-CB 3.24Å; E355-T371 PolarHBondContact OE1-OG1 3.16Å; E355-T371 PolarHBondContact OE2-OG1 3.44Å; E355-M391 HydrophobicContact CB-CE 4.44Å; E355-M391 HydrophobicContact CB-SD 4.2Å; E355-M391 HydrophobicContact CG-CE 3.92Å; E355-M391 HydrophobicContact CG-SD 3.95Å
356	L	95.2	Very high	91.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.4	-175	-174.5	67.8	0	0	0	113.6	W95 L237 A240 H241 T358 L361 Y366 I367	W95-L356 HydrophobicContact CZ2-CD2 3.82Å; L237-L356 HydrophobicContact CB-CD1 4.46Å; L237-L356 HydrophobicContact CD2-CD1 4.41Å; L237-L356 WeakPolarHBondContact O-CD1 3.43Å; A240-L356 HydrophobicContact CB-CD1 4.45Å; A240-L356 HydrophobicContact CB-CD2 4Å; H241-L356 HydrophobicContact CB-CD1 4.11Å; H241-L356 HydrophobicContact CB-CG 4.21Å; H241-L356 PolarHBondContact ND1-O 3.27Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 2.68Å; L356-L361 HydrophobicContact CD1-CD2 4.19Å; L356-L361 VanDerWaalsContact O-CD2 3.31Å; L356-L361 WeakPolarHBondContact O-CD2 3.43Å; L356-Y366 WeakPolarHBondContact CB-O 3.33Å; L356-Y366 PolarHBondContact N-O 2.81Å; L356-I367 HydrophobicContact CB-CG1 4.2Å; L356-I367 HydrophobicContact CD2-CD1 3.83Å; L356-I367 HydrophobicContact CD2-CG1 3.44Å; L356-I367 VanDerWaalsContact CD2-CG1 3.44Å; L356-I367 HydrophobicContact CG-CG1 4.43Å
357	M	94.3	Very high	91.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	21.9	-176	-57.3	-51.3	-50.4	0	0	113.2	W95 F249 H346 F347 E355 T371	W95-M357 HydrophobicContact CZ2-SD 4.46Å; F249-M357 HydrophobicContact CB-CE 4Å; F249-M357 HydrophobicContact CD1-CB 3.98Å; F249-M357 HydrophobicContact CD1-CE 3.64Å; F249-M357 HydrophobicContact CD1-CG 4.07Å; F249-M357 HydrophobicContact CD2-CG 4.25Å; F249-M357 HydrophobicContact CE1-CB 3.77Å; F249-M357 HydrophobicContact CE1-CE 4.45Å; F249-M357 HydrophobicContact CE1-CG 4.29Å; F249-M357 HydrophobicContact CG-CB 4.46Å; F249-M357 HydrophobicContact CG-CE 3.98Å; F249-M357 HydrophobicContact CG-CG 4.09Å; F249-M357 HydrophobicContact CZ-CB 4.1Å; H346-M357 CarbonylContact C-O 3.59Å; H346-M357 WeakPolarHBondContact CA-O 3.21Å; H346-M357 WeakPolarHBondContact CB-O 3.05Å; F347-M357 HydrophobicContact CD2-CB 3.94Å; F347-M357 HydrophobicContact CE2-CB 4.25Å; F347-M357 PolarHBondContact N-O 3.09Å; E355-M357 VanDerWaalsContact C-N 3.3Å; E355-M357 PolarHBondContact O-N 2.85Å; E355-M357 WeakPolarHBondContact OE2-CB 3.28Å; E355-M357 PolarHBondContact OE2-N 3.31Å; M357-T371 HydrophobicContact CG-CG2 4.25Å
358	T	92.5	Very high	91.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-76.4	156.1	167.9	52.5	0	0	0	0	111.2	H241 F347 K349 I352 E355 L356 L360	H241-T358 PolarHBondContact CE1-O 2.86Å; H241-T358 VanDerWaalsContact CE1-O 3.25Å; F347-T358 HydrophobicContact CB-CG2 4.47Å; K349-T358 HydrophobicContact CB-CG2 3.96Å; K349-T358 HydrophobicContact CG-CG2 4Å; I352-T358 WeakPolarHBondContact O-CG2 3.33Å; E355-T358 HydrophobicContact CB-CG2 4.04Å; E355-T358 PolarHBondContact O-N 2.77Å; E355-T358 PolarHBondContact O-OG1 2.97Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 2.68Å; T358-L360 PolarHBondContact O-N 2.04Å; T358-L360 PolarHBondContact OG1-O 2.53Å
359	P	84.8	Confident	92	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.019	7%	0.065	C	C	.	.	S	Bend	trans	-66.8	-18.3	-177.3	28.9	-39.5	0	0	0	113.9	D336 H346 F347 F471	D336-P359 HydrophobicContact CB-CB 4.48Å; D336-P359 HydrophobicContact CB-CG 4.03Å; H346-P359 HydrophobicContact CB-CB 4.09Å; H346-P359 HydrophobicContact CB-CG 4.47Å; F347-P359 VanDerWaalsContact O-CD 3.24Å; F347-P359 WeakPolarHBondContact O-CD 3.49Å; P359-F471 HydrophobicContact CB-CD1 3.72Å; P359-F471 HydrophobicContact CB-CE1 3.85Å; P359-F471 HydrophobicContact CB-CG 4.32Å; P359-F471 HydrophobicContact CG-CB 3.87Å; P359-F471 HydrophobicContact CG-CD1 3.4Å; P359-F471 VanDerWaalsContact CG-CD1 3.4Å; P359-F471 HydrophobicContact CG-CE1 4.08Å; P359-F471 HydrophobicContact CG-CG 3.76Å
360	L	84.6	Confident	92.2	Very high	20 Å²	20	13.7 Å²	13.7	11%	0.105	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-135.3	117.6	177.8	175.5	61.6	0	0	0	109	T34 K349 T358 S362 F471	T34-L360 VanDerWaalsContact CA-CD1 3.5Å; T34-L360 HydrophobicContact CG2-CD1 3.71Å; T34-L360 HydrophobicContact CG2-CD2 4.28Å; K349-L360 HydrophobicContact CD-CB 4.29Å; K349-L360 WeakPolarHBondContact CE-O 3.02Å; K349-L360 PolarHBondContact NZ-O 3.48Å; T358-L360 PolarHBondContact O-N 2.04Å; T358-L360 PolarHBondContact OG1-O 2.53Å; L360-S362 PolarHBondContact O-N 2.91Å; L360-F471 HydrophobicContact CB-CD2 3.62Å; L360-F471 HydrophobicContact CB-CE2 4.04Å; L360-F471 HydrophobicContact CB-CG 4.23Å; L360-F471 HydrophobicContact CD2-CD2 3.88Å; L360-F471 HydrophobicContact CD2-CE2 4.37Å; L360-F471 HydrophobicContact CG-CD2 4.35Å
361	L	85.3	Confident	92.3	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.031	7%	0.065	C	C	.	.			trans	-64.7	130.6	178.1	-63.9	-175.5	0	0	0	111.4	S35 M234 L237 T238 H241 L356	S35-L361 VanDerWaalsContact OG-CD1 3.32Å; S35-L361 WeakPolarHBondContact OG-CD1 3.44Å; S35-L361 WeakPolarHBondContact OG-CG 3.3Å; M234-L361 HydrophobicContact CE-CB 4.02Å; L237-L361 HydrophobicContact CB-CD1 4Å; T238-L361 WeakPolarHBondContact OG1-CD1 3.33Å; H241-L361 HydrophobicContact CB-CD2 4.3Å; L356-L361 HydrophobicContact CD1-CD2 4.19Å; L356-L361 VanDerWaalsContact O-CD2 3.31Å; L356-L361 WeakPolarHBondContact O-CD2 3.43Å
362	S	86.8	Confident	92.4	Very high	20 Å²	20	13.5 Å²	13.5	14%	0.14	6%	0.064	C	C	.	.			trans	-74.6	160.8	163.1	-68.9	0	0	0	0	109.6	K349 D353 L360 R364 S365	K349-S362 PolarHBondContact NZ-OG 3.46Å; D353-S362 PolarHBondContact O-OG 2.84Å; D353-S362 PolarHBondContact OD2-OG 3.44Å; L360-S362 PolarHBondContact O-N 2.91Å; S362-R364 VanDerWaalsContact C-N 3.33Å; S362-R364 CarbonylContact C-O 3.48Å; S362-R364 VanDerWaalsContact CB-O 3.3Å; S362-R364 WeakPolarHBondContact CB-O 3.48Å; S362-R364 CarbonylContact O-C 3.52Å; S362-R364 PolarHBondContact O-N 3.09Å; S362-S365 PolarHBondContact N-OG 2.9Å; S362-S365 PolarHBondContact O-OG 2.63Å
363	S	82.2	Confident	92.7	Very high	9 Å²	9	13.4 Å²	13.4	6%	0.063	6%	0.064	C	C	.	.	S	Bend	trans	-48.6	-55.2	178.8	-94.1	0	0	0	0	111.5	R233 L237 T482	R233-S363 PolarHBondContact NH1-O 2.94Å; R233-S363 PolarHBondContact NH2-O 3.09Å; L237-S363 WeakPolarHBondContact CD1-O 3.46Å; S363-T482 WeakPolarHBondContact OG-CB 3.17Å; S363-T482 WeakPolarHBondContact OG-CG2 3.16Å
364	R	88.1	Confident	93	Very high	45 Å²	45	12.7 Å²	12.7	17%	0.17	6%	0.06	C	C	.	.	S	Bend	trans	-95.2	134.7	160.5	-68.8	-176	-178.2	176.3	-2.3	109	N354 S362 Y366 E438 Y490 N492	N354-R364 WeakPolarHBondContact CB-O 3.33Å; S362-R364 VanDerWaalsContact C-N 3.33Å; S362-R364 CarbonylContact C-O 3.48Å; S362-R364 VanDerWaalsContact CB-O 3.3Å; S362-R364 WeakPolarHBondContact CB-O 3.48Å; S362-R364 CarbonylContact O-C 3.52Å; S362-R364 PolarHBondContact O-N 3.09Å; R364-Y366 HydrophobicContact CB-CE1 4.33Å; R364-Y366 HydrophobicContact CB-CE2 3.99Å; R364-Y366 WeakPolarHBondContact CB-OH 3.27Å; R364-Y366 VanDerWaalsContact CD-OH 3.23Å; R364-Y366 WeakPolarHBondContact CD-OH 3.11Å; R364-E438 PolarHBondContact NH1-O 3.4Å; R364-Y490 HydrophobicContact CB-CE1 4.41Å; R364-Y490 HydrophobicContact CG-CD1 4.43Å; R364-Y490 HydrophobicContact CG-CE1 3.73Å; R364-Y490 HydrophobicContact CG-CE2 4.23Å; R364-Y490 WeakPolarHBondContact CG-OH 3.42Å; R364-Y490 PolarHBondContact N-OH 2.94Å; R364-Y490 VanDerWaalsContact NE-CD1 3.27Å; R364-N492 PolarHBondContact NH1-OD1 2.96Å; R364-N492 PolarHBondContact NH2-OD1 2.92Å
365	S	92.5	Very high	93.3	Very high	6 Å²	6	12.3 Å²	12.3	4%	0.042	6%	0.058	C	C	.	.			trans	-131	141	174.5	-64	0	0	0	0	109	L237 N354 S362	L237-S365 WeakPolarHBondContact CD2-O 3.24Å; N354-S365 CarbonylContact O-C 3.47Å; N354-S365 WeakPolarHBondContact O-CA 3.49Å; S362-S365 PolarHBondContact N-OG 2.9Å; S362-S365 PolarHBondContact O-OG 2.63Å
366	Y	95	Very high	93.5	Very high	33 Å²	33	15.3 Å²	15.3	13%	0.129	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-127.9	142	-163.2	-65	-63.6	0	0	0	111.2	N354 L356 R364 S368 N389 M391 E438	N354-Y366 HydrophobicContact CB-CD2 3.93Å; N354-Y366 HydrophobicContact CB-CE2 4.11Å; N354-Y366 WeakPolarHBondContact ND2-CE2 3.39Å; N354-Y366 WeakPolarHBondContact O-CD2 3.42Å; N354-Y366 PolarHBondContact O-N 2.89Å; L356-Y366 WeakPolarHBondContact CB-O 3.33Å; L356-Y366 PolarHBondContact N-O 2.81Å; R364-Y366 HydrophobicContact CB-CE1 4.33Å; R364-Y366 HydrophobicContact CB-CE2 3.99Å; R364-Y366 WeakPolarHBondContact CB-OH 3.27Å; R364-Y366 VanDerWaalsContact CD-OH 3.23Å; R364-Y366 WeakPolarHBondContact CD-OH 3.11Å; Y366-S368 PolarHBondContact O-N 3.43Å; Y366-N389 HydrophobicContact CD1-CB 3.63Å; Y366-N389 HydrophobicContact CG-CB 3.95Å; Y366-M391 HydrophobicContact CD2-CG 3.82Å; Y366-M391 HydrophobicContact CD2-SD 4.36Å; Y366-M391 HydrophobicContact CG-CG 3.97Å; Y366-M391 HydrophobicContact CG-SD 4.49Å; Y366-E438 WeakPolarHBondContact CE2-OE1 3.34Å; Y366-E438 PolarHBondContact OH-OE2 2.78Å
367	I	97.6	Very high	93.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.			trans	-85.9	102.8	169.5	-58.6	174.3	0	0	0	108	M94 W95 L98 L356 T371 L372 N389	M94-I367 HydrophobicContact CB-CD1 4.27Å; M94-I367 HydrophobicContact CE-CD1 3.97Å; M94-I367 HydrophobicContact CE-CG1 4.39Å; W95-I367 HydrophobicContact CD2-CD1 4.25Å; W95-I367 HydrophobicContact CE3-CD1 4.38Å; W95-I367 HydrophobicContact CH2-CD1 4.13Å; W95-I367 HydrophobicContact CH2-CG1 4.46Å; W95-I367 HydrophobicContact CH2-CG2 4.33Å; W95-I367 HydrophobicContact CZ2-CD1 4.02Å; W95-I367 HydrophobicContact CZ3-CD1 4.31Å; W95-I367 HydrophobicContact CZ3-CG2 4.32Å; L98-I367 HydrophobicContact CD1-CB 4.02Å; L98-I367 HydrophobicContact CD1-CD1 3.64Å; L98-I367 HydrophobicContact CD1-CG1 4.42Å; L98-I367 HydrophobicContact CD1-CG2 3.7Å; L356-I367 HydrophobicContact CB-CG1 4.2Å; L356-I367 HydrophobicContact CD2-CD1 3.83Å; L356-I367 HydrophobicContact CD2-CG1 3.44Å; L356-I367 VanDerWaalsContact CD2-CG1 3.44Å; L356-I367 HydrophobicContact CG-CG1 4.43Å; I367-T371 HydrophobicContact CG2-CG2 3.95Å; I367-L372 HydrophobicContact CG2-CD2 4Å; I367-L372 HydrophobicContact CG2-CG 4.27Å; I367-N389 PolarHBondContact N-OD1 2.86Å; I367-N389 PolarHBondContact O-N 3.36Å
368	S	97.3	Very high	93.8	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.021	7%	0.073	C	C	.	.			trans	-80.9	167.4	-175.3	69.6	0	0	0	0	113.4	E355 Y366 I370 T371 L372	E355-S368 WeakPolarHBondContact CG-OG 3.35Å; E355-S368 WeakPolarHBondContact OE1-CB 3.35Å; E355-S368 PolarHBondContact OE1-N 3.23Å; E355-S368 VanDerWaalsContact OE1-N 3.09Å; E355-S368 PolarHBondContact OE1-OG 3.17Å; Y366-S368 PolarHBondContact O-N 3.43Å; S368-I370 PolarHBondContact O-N 2.79Å; S368-I370 WeakPolarHBondContact OG-CB 3.26Å; S368-I370 PolarHBondContact OG-N 2.73Å; S368-T371 PolarHBondContact O-N 3.49Å; S368-T371 PolarHBondContact OG-N 3.11Å; S368-T371 VanDerWaalsContact OG-N 3.11Å; S368-L372 WeakPolarHBondContact O-CG 3.19Å; S368-L372 PolarHBondContact O-N 2.53Å; S368-L372 VanDerWaalsContact O-N 3.1Å
369	K	98	Very high	94	Very high	113 Å²	113	15.8 Å²	15.8	49%	0.491	8%	0.076	S	C	.	.	H	α-helix	trans	-61.2	-26.3	166.7	-68.1	-170.8	177.3	-179.5	0	112.5	M320 L372 G373 Y385 A388	M320-K369 HydrophobicContact CB-CB 4.41Å; M320-K369 HydrophobicContact CG-CB 4.33Å; M320-K369 WeakPolarHBondContact CG-O 3.32Å; M320-K369 HydrophobicContact SD-CB 3.95Å; M320-K369 HydrophobicContact SD-CD 4.24Å; K369-L372 PolarHBondContact O-N 3.23Å; K369-G373 PolarHBondContact O-N 2.73Å; K369-Y385 HydrophobicContact CB-CD1 4.2Å; K369-Y385 HydrophobicContact CD-CD1 4.47Å; K369-Y385 HydrophobicContact CG-CD1 4.11Å; K369-A388 HydrophobicContact CG-CB 3.61Å
370	I	98.2	Very high	94.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-66.4	-49.5	176.7	-58.8	174.6	0	0	0	109.4	I317 M320 A321 Y324 F325 V333 F347 I352 S368 L372 G373 F374	I317-I370 HydrophobicContact CD1-CG2 4.44Å; I317-I370 HydrophobicContact CG1-CG2 3.81Å; M320-I370 HydrophobicContact CB-CG1 4.34Å; A321-I370 HydrophobicContact CB-CD1 4.18Å; A321-I370 HydrophobicContact CB-CG1 4.33Å; Y324-I370 HydrophobicContact CD1-CD1 3.86Å; Y324-I370 HydrophobicContact CG-CD1 4Å; F325-I370 HydrophobicContact CE2-CD1 4.28Å; V333-I370 HydrophobicContact CG1-CG2 4.26Å; V333-I370 HydrophobicContact CG2-CG2 4.4Å; F347-I370 HydrophobicContact CE1-CG2 4.42Å; F347-I370 HydrophobicContact CE2-CG2 4.38Å; F347-I370 HydrophobicContact CZ-CG2 3.95Å; I352-I370 HydrophobicContact CG2-CD1 4.24Å; S368-I370 PolarHBondContact O-N 2.79Å; S368-I370 WeakPolarHBondContact OG-CB 3.26Å; S368-I370 PolarHBondContact OG-N 2.73Å; I370-L372 VanDerWaalsContact C-N 3.33Å; I370-L372 PolarHBondContact O-N 2.95Å; I370-G373 WeakPolarHBondContact O-CA 3.44Å; I370-G373 PolarHBondContact O-N 3.46Å; I370-G373 VanDerWaalsContact O-N 3.11Å; I370-F374 PolarHBondContact O-N 2.73Å
371	T	98.2	Very high	95.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.3	-42.8	173.6	-74.2	0	0	0	0	112.3	W95 F347 E355 M357 I367 S368 G373 F374 F375	W95-T371 HydrophobicContact CH2-CG2 3.81Å; W95-T371 HydrophobicContact CZ3-CG2 4.26Å; F347-T371 WeakPolarHBondContact CE2-OG1 3.18Å; E355-T371 VanDerWaalsContact OE1-CB 3.29Å; E355-T371 WeakPolarHBondContact OE1-CB 3.24Å; E355-T371 PolarHBondContact OE1-OG1 3.16Å; E355-T371 PolarHBondContact OE2-OG1 3.44Å; M357-T371 HydrophobicContact CG-CG2 4.25Å; I367-T371 HydrophobicContact CG2-CG2 3.95Å; S368-T371 PolarHBondContact O-N 3.49Å; S368-T371 PolarHBondContact OG-N 3.11Å; S368-T371 VanDerWaalsContact OG-N 3.11Å; T371-G373 VanDerWaalsContact C-N 3.33Å; T371-G373 PolarHBondContact O-N 3.09Å; T371-F374 WeakPolarHBondContact O-CB 3.34Å; T371-F374 PolarHBondContact O-N 2.94Å; T371-F375 HydrophobicContact CG2-CD2 3.84Å; T371-F375 HydrophobicContact CG2-CE2 3.75Å; T371-F375 VanDerWaalsContact O-CD2 3.29Å; T371-F375 WeakPolarHBondContact O-CD2 3.48Å; T371-F375 PolarHBondContact O-N 3.2Å
372	L	98.7	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.9	-36.4	176	-63.6	-175.9	0	0	0	112.5	L98 L99 I367 S368 K369 I370 F374 F375 E376 V383 N384 Y385 A388	L98-L372 HydrophobicContact CB-CD2 4.03Å; L98-L372 HydrophobicContact CD1-CD2 4.22Å; L98-L372 HydrophobicContact CD2-CD1 4.28Å; L99-L372 HydrophobicContact CD2-CD2 4.44Å; I367-L372 HydrophobicContact CG2-CD2 4Å; I367-L372 HydrophobicContact CG2-CG 4.27Å; S368-L372 WeakPolarHBondContact O-CG 3.19Å; S368-L372 PolarHBondContact O-N 2.53Å; S368-L372 VanDerWaalsContact O-N 3.1Å; K369-L372 PolarHBondContact O-N 3.23Å; I370-L372 VanDerWaalsContact C-N 3.33Å; I370-L372 PolarHBondContact O-N 2.95Å; L372-F374 VanDerWaalsContact C-N 3.31Å; L372-F374 PolarHBondContact O-N 2.94Å; L372-F375 PolarHBondContact O-N 3.09Å; L372-E376 PolarHBondContact O-N 3.28Å; L372-V383 HydrophobicContact CB-CB 4.19Å; L372-V383 HydrophobicContact CB-CG2 4.12Å; L372-V383 HydrophobicContact CD2-CB 4.45Å; L372-V383 WeakPolarHBondContact O-CG1 3.47Å; L372-N384 WeakPolarHBondContact CD1-O 3.47Å; L372-Y385 HydrophobicContact CB-CD1 4.02Å; L372-Y385 HydrophobicContact CB-CE1 3.79Å; L372-Y385 HydrophobicContact CD1-CD1 4.29Å; L372-A388 HydrophobicContact CD1-CB 3.87Å
373	G	98.5	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.9	-42.1	172.4	0	0	0	0	0	112.2	K369 I370 T371 E376 D377 Y385	K369-G373 PolarHBondContact O-N 2.73Å; I370-G373 WeakPolarHBondContact O-CA 3.44Å; I370-G373 PolarHBondContact O-N 3.46Å; I370-G373 VanDerWaalsContact O-N 3.11Å; T371-G373 VanDerWaalsContact C-N 3.33Å; T371-G373 PolarHBondContact O-N 3.09Å; G373-E376 PolarHBondContact O-N 2.91Å; G373-D377 WeakPolarHBondContact O-CB 3.46Å; G373-D377 PolarHBondContact O-N 2.91Å; G373-Y385 WeakPolarHBondContact CA-OH 3.29Å
374	F	98.3	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.7	-52.7	170.8	169.5	-90.9	0	0	0	111.6	G248 F249 F254 M257 L312 I317 I370 T371 L372 E376 D377 T378	G248-F374 WeakPolarHBondContact O-CZ 3.01Å; F249-F374 HydrophobicContact CB-CD1 4.38Å; F249-F374 HydrophobicContact CB-CE1 3.86Å; F249-F374 HydrophobicContact CB-CZ 4.42Å; F249-F374 HydrophobicContact CD2-CB 4.26Å; F249-F374 AromaticContact CD2-CD1 3.23Å; F249-F374 HydrophobicContact CD2-CD1 3.23Å; F249-F374 HydrophobicContact CD2-CD2 4.11Å; F249-F374 AromaticContact CD2-CE1 3.46Å; F249-F374 HydrophobicContact CD2-CE1 3.46Å; F249-F374 VanDerWaalsContact CD2-CE1 3.46Å; F249-F374 HydrophobicContact CD2-CE2 4.3Å; F249-F374 AromaticContact CD2-CG 3.58Å; F249-F374 HydrophobicContact CD2-CG 3.58Å; F249-F374 HydrophobicContact CD2-CZ 4Å; F249-F374 HydrophobicContact CE2-CB 4.02Å; F249-F374 AromaticContact CE2-CD1 3.82Å; F249-F374 HydrophobicContact CE2-CD1 3.82Å; F249-F374 AromaticContact CE2-CD2 3.98Å; F249-F374 HydrophobicContact CE2-CD2 3.98Å; F249-F374 HydrophobicContact CE2-CE1 4.29Å; F249-F374 HydrophobicContact CE2-CE2 4.43Å; F249-F374 AromaticContact CE2-CG 3.63Å; F249-F374 HydrophobicContact CE2-CG 3.63Å; F249-F374 HydrophobicContact CG-CD1 4.2Å; F249-F374 HydrophobicContact CG-CE1 4.01Å; F249-F374 HydrophobicContact CG-CZ 4.41Å; F254-F374 AromaticContact CD1-CE2 3.66Å; F254-F374 HydrophobicContact CD1-CE2 3.66Å; F254-F374 AromaticContact CD1-CZ 3.72Å; F254-F374 HydrophobicContact CD1-CZ 3.72Å; F254-F374 AromaticContact CE1-CE2 3.39Å; F254-F374 HydrophobicContact CE1-CE2 3.39Å; F254-F374 AromaticContact CE1-CZ 3.41Å; F254-F374 HydrophobicContact CE1-CZ 3.41Å; F254-F374 VanDerWaalsContact CE1-CZ 3.41Å; F254-F374 HydrophobicContact CZ-CE2 4.3Å; M257-F374 HydrophobicContact CE-CD2 4.39Å; M257-F374 HydrophobicContact CE-CE2 4.09Å; M257-F374 HydrophobicContact SD-CE2 3.99Å; M257-F374 HydrophobicContact SD-CZ 4.45Å; L312-F374 HydrophobicContact CD1-CD2 3.81Å; L312-F374 HydrophobicContact CD1-CE2 4.11Å; L312-F374 HydrophobicContact CD2-CE2 4.48Å; I317-F374 HydrophobicContact CB-CB 4.45Å; I317-F374 HydrophobicContact CD1-CB 3.92Å; I317-F374 HydrophobicContact CD1-CD2 4.44Å; I317-F374 HydrophobicContact CG1-CB 4.22Å; I370-F374 PolarHBondContact O-N 2.73Å; T371-F374 WeakPolarHBondContact O-CB 3.34Å; T371-F374 PolarHBondContact O-N 2.94Å; L372-F374 VanDerWaalsContact C-N 3.31Å; L372-F374 PolarHBondContact O-N 2.94Å; F374-E376 VanDerWaalsContact C-N 3.27Å; F374-E376 PolarHBondContact O-N 2.88Å; F374-D377 PolarHBondContact O-N 2.98Å; F374-D377 VanDerWaalsContact O-N 3.07Å; F374-T378 HydrophobicContact CD1-CG2 4.25Å; F374-T378 HydrophobicContact CE1-CG2 3.77Å; F374-T378 HydrophobicContact CZ-CG2 3.99Å; F374-T378 WeakPolarHBondContact O-CG2 3.05Å; F374-T378 PolarHBondContact O-N 2.76Å; F374-T378 VanDerWaalsContact O-N 3.1Å
375	F	98.6	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-32.2	-176.5	-83.3	-70.4	0	0	0	112.7	W95 L99 L247 F249 T371 L372 T378 Y381 V383	W95-F375 HydrophobicContact CE3-CE2 4.38Å; W95-F375 HydrophobicContact CH2-CD2 4.15Å; W95-F375 AromaticContact CH2-CE2 3.37Å; W95-F375 HydrophobicContact CH2-CE2 3.37Å; W95-F375 AromaticContact CH2-CZ 3.99Å; W95-F375 HydrophobicContact CH2-CZ 3.99Å; W95-F375 HydrophobicContact CZ2-CE2 4.43Å; W95-F375 AromaticContact CZ3-CD2 3.73Å; W95-F375 HydrophobicContact CZ3-CD2 3.73Å; W95-F375 AromaticContact CZ3-CE2 3.32Å; W95-F375 HydrophobicContact CZ3-CE2 3.32Å; W95-F375 AromaticContact CZ3-CZ 3.96Å; W95-F375 HydrophobicContact CZ3-CZ 3.96Å; L99-F375 HydrophobicContact CD1-CD1 4.3Å; L99-F375 HydrophobicContact CD1-CG 4.46Å; L99-F375 HydrophobicContact CD2-CB 3.97Å; L99-F375 HydrophobicContact CD2-CG 4.26Å; L247-F375 HydrophobicContact CB-CE1 3.57Å; L247-F375 HydrophobicContact CB-CZ 3.94Å; F249-F375 HydrophobicContact CB-CE2 4.42Å; F249-F375 HydrophobicContact CB-CZ 3.96Å; T371-F375 HydrophobicContact CG2-CD2 3.84Å; T371-F375 HydrophobicContact CG2-CE2 3.75Å; T371-F375 VanDerWaalsContact O-CD2 3.29Å; T371-F375 WeakPolarHBondContact O-CD2 3.48Å; T371-F375 PolarHBondContact O-N 3.2Å; L372-F375 PolarHBondContact O-N 3.09Å; F375-T378 PolarHBondContact O-OG1 2.81Å; F375-Y381 HydrophobicContact CB-CD2 4.36Å; F375-Y381 AromaticContact CD1-CD2 3.76Å; F375-Y381 HydrophobicContact CD1-CD2 3.76Å; F375-Y381 AromaticContact CD1-CE2 3.83Å; F375-Y381 HydrophobicContact CD1-CE2 3.83Å; F375-Y381 HydrophobicContact CE1-CE2 4.3Å; F375-V383 HydrophobicContact CB-CG1 4Å
376	E	98.3	Very high	97.9	Very high	62 Å²	62	25.4 Å²	25.4	29%	0.29	14%	0.137	S	C	.	.	H	α-helix	trans	-65.9	-45.5	171.2	-175	160.6	-151.6	0	0	111.8	M316 L372 G373 F374 T378 G379 V383 Y385	M316-E376 HydrophobicContact CG-CG 4.2Å; L372-E376 PolarHBondContact O-N 3.28Å; G373-E376 PolarHBondContact O-N 2.91Å; F374-E376 VanDerWaalsContact C-N 3.27Å; F374-E376 PolarHBondContact O-N 2.88Å; E376-T378 PolarHBondContact O-N 3.05Å; E376-G379 PolarHBondContact O-N 3.37Å; E376-G379 VanDerWaalsContact O-N 3.07Å; E376-V383 HydrophobicContact CB-CG1 4.05Å; E376-V383 HydrophobicContact CB-CG2 4.02Å; E376-Y385 WeakPolarHBondContact OE2-CE2 3.39Å; E376-Y385 PolarHBondContact OE2-OH 2.79Å
377	D	98.4	Very high	98	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-16.2	-179.5	-79	-27.1	0	0	0	114.3	M257 R258 R265 T314 M316 I317 G373 F374 G379	M257-D377 VanDerWaalsContact CE-C 3.46Å; M257-D377 HydrophobicContact CE-CB 3.93Å; M257-D377 WeakPolarHBondContact CE-O 3.23Å; R258-D377 VanDerWaalsContact O-O 3.06Å; R265-D377 PolarHBondContact NE-O 2.82Å; T314-D377 WeakPolarHBondContact CB-OD2 3.38Å; T314-D377 HydrophobicContact CG2-CB 4.26Å; T314-D377 WeakPolarHBondContact OG1-CB 3.45Å; T314-D377 PolarHBondContact OG1-OD2 3.35Å; M316-D377 WeakPolarHBondContact CA-OD2 3.37Å; M316-D377 VanDerWaalsContact CB-OD1 3.31Å; M316-D377 WeakPolarHBondContact CB-OD1 3.02Å; M316-D377 WeakPolarHBondContact CG-OD1 3.49Å; M316-D377 VanDerWaalsContact N-CG 3.28Å; M316-D377 PolarHBondContact N-OD1 3.39Å; M316-D377 PolarHBondContact N-OD2 3.36Å; I317-D377 PolarHBondContact N-OD2 3.06Å; G373-D377 WeakPolarHBondContact O-CB 3.46Å; G373-D377 PolarHBondContact O-N 2.91Å; F374-D377 PolarHBondContact O-N 2.98Å; F374-D377 VanDerWaalsContact O-N 3.07Å; D377-G379 PolarHBondContact O-N 2.89Å
378	T	98	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.3	171.1	67.5	0	0	0	0	112.5	M257 R258 F374 F375 E376 W380	M257-T378 HydrophobicContact CE-CG2 4.16Å; M257-T378 HydrophobicContact CG-CG2 4.43Å; R258-T378 PolarHBondContact N-O 3.3Å; R258-T378 CarbonylContact O-C 3.58Å; F374-T378 HydrophobicContact CD1-CG2 4.25Å; F374-T378 HydrophobicContact CE1-CG2 3.77Å; F374-T378 HydrophobicContact CZ-CG2 3.99Å; F374-T378 WeakPolarHBondContact O-CG2 3.05Å; F374-T378 PolarHBondContact O-N 2.76Å; F374-T378 VanDerWaalsContact O-N 3.1Å; F375-T378 PolarHBondContact O-OG1 2.81Å; E376-T378 PolarHBondContact O-N 3.05Å; T378-W380 HydrophobicContact CG2-CD2 4.4Å; T378-W380 HydrophobicContact CG2-CE3 3.69Å; T378-W380 HydrophobicContact CG2-CZ3 3.77Å; T378-W380 PolarHBondContact O-N 2.89Å; T378-W380 WeakPolarHBondContact OG1-CB 2.97Å; T378-W380 PolarHBondContact OG1-N 3.41Å; T378-W380 VanDerWaalsContact OG1-N 3.15Å
379	G	96.8	Very high	97.8	Very high	7 Å²	7	29.1 Å²	29.1	7%	0.072	17%	0.169	C	C	.	.	S	Bend	trans	78.7	-9.3	-172.7	0	0	0	0	0	113.8	R258 E376 D377	R258-G379 PolarHBondContact O-N 2.71Å; E376-G379 PolarHBondContact O-N 3.37Å; E376-G379 VanDerWaalsContact O-N 3.07Å; D377-G379 PolarHBondContact O-N 2.89Å
380	W	97.3	Very high	97.5	Very high	2 Å²	2	29 Å²	29	1%	0.008	18%	0.18	C	C	.	.	S	Bend	trans	-84.9	-30	-177.4	-53.9	-33.8	0	0	0	113.5	K102 T210 D211 R212 P213 A253 T378	K102-W380 PolarHBondContact N-O 3.46Å; T210-W380 VanDerWaalsContact O-CD1 3.28Å; T210-W380 PolarHBondContact O-NE1 3Å; D211-W380 WeakPolarHBondContact O-CZ2 3.44Å; R212-W380 HydrophobicContact CB-CB 4.06Å; R212-W380 HydrophobicContact CB-CD2 4.13Å; R212-W380 HydrophobicContact CB-CG 3.71Å; R212-W380 HydrophobicContact CG-CB 3.8Å; R212-W380 HydrophobicContact CG-CD2 4.19Å; R212-W380 HydrophobicContact CG-CG 3.86Å; P213-W380 HydrophobicContact CG-CH2 4.35Å; P213-W380 HydrophobicContact CG-CZ3 4.16Å; A253-W380 HydrophobicContact CB-CH2 3.99Å; A253-W380 HydrophobicContact CB-CZ3 4.48Å; T378-W380 HydrophobicContact CG2-CD2 4.4Å; T378-W380 HydrophobicContact CG2-CE3 3.69Å; T378-W380 HydrophobicContact CG2-CZ3 3.77Å; T378-W380 PolarHBondContact O-N 2.89Å; T378-W380 WeakPolarHBondContact OG1-CB 2.97Å; T378-W380 PolarHBondContact OG1-N 3.41Å; T378-W380 VanDerWaalsContact OG1-N 3.15Å
381	Y	98.3	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.3	-171.5	-55.4	-74.4	0	0	0	112.2	L99 K100 V101 L247 F375	L99-Y381 HydrophobicContact CB-CD1 4.04Å; L99-Y381 HydrophobicContact CD1-CD1 4.21Å; L99-Y381 HydrophobicContact CD1-CE1 4.29Å; L99-Y381 HydrophobicContact CD1-CG 4.34Å; L99-Y381 HydrophobicContact CD2-CG 4.41Å; K100-Y381 CarbonylContact O-C 3.56Å; K100-Y381 WeakPolarHBondContact O-CA 2.99Å; V101-Y381 HydrophobicContact CG2-CD1 4.24Å; V101-Y381 HydrophobicContact CG2-CE1 4Å; L247-Y381 HydrophobicContact CD2-CE1 4.45Å; L247-Y381 WeakPolarHBondContact CD2-OH 3.47Å; L247-Y381 PolarHBondContact O-OH 3.4Å; F375-Y381 HydrophobicContact CB-CD2 4.36Å; F375-Y381 AromaticContact CD1-CD2 3.76Å; F375-Y381 HydrophobicContact CD1-CD2 3.76Å; F375-Y381 AromaticContact CD1-CE2 3.83Å; F375-Y381 HydrophobicContact CD1-CE2 3.83Å; F375-Y381 HydrophobicContact CE1-CE2 4.3Å
382	Q	97.7	Very high	96.8	Very high	73 Å²	73	30 Å²	30	34%	0.341	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.9	153	177.4	-177.4	65.2	0	0	107	I61 K100 K102	I61-Q382 HydrophobicContact CG2-CB 4.36Å; K100-Q382 HydrophobicContact CB-CB 4.36Å; K100-Q382 PolarHBondContact N-O 3.49Å; K100-Q382 PolarHBondContact O-N 3.13Å; K102-Q382 HydrophobicContact CG-CB 4.44Å
383	V	98.4	Very high	96.6	Very high	18 Å²	18	30.7 Å²	30.7	11%	0.109	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	154.1	-173.2	-54.5	0	0	0	0	112.5	L98 L99 L372 F375 E376 Y385	L98-V383 CarbonylContact O-C 3.43Å; L98-V383 WeakPolarHBondContact O-CA 3.29Å; L99-V383 HydrophobicContact CD2-CB 4.45Å; L99-V383 HydrophobicContact CD2-CG1 3.72Å; L372-V383 HydrophobicContact CB-CB 4.19Å; L372-V383 HydrophobicContact CB-CG2 4.12Å; L372-V383 HydrophobicContact CD2-CB 4.45Å; L372-V383 WeakPolarHBondContact O-CG1 3.47Å; F375-V383 HydrophobicContact CB-CG1 4Å; E376-V383 HydrophobicContact CB-CG1 4.05Å; E376-V383 HydrophobicContact CB-CG2 4.02Å; V383-Y385 HydrophobicContact CG2-CD1 4.39Å; V383-Y385 HydrophobicContact CG2-CD2 3.73Å; V383-Y385 HydrophobicContact CG2-CE1 4.01Å; V383-Y385 HydrophobicContact CG2-CE2 3.26Å; V383-Y385 HydrophobicContact CG2-CG 4.27Å; V383-Y385 VanDerWaalsContact CG2-CZ 3.42Å
384	N	98.4	Very high	96.4	Very high	70 Å²	70	30.7 Å²	30.7	37%	0.374	19%	0.19	S	C	.	.			trans	-103.5	89.3	173.1	177.8	18.2	0	0	0	110.8	L98 L372 A386 G387	L98-N384 PolarHBondContact O-N 3.11Å; L372-N384 WeakPolarHBondContact CD1-O 3.47Å; N384-A386 PolarHBondContact O-N 3.04Å; N384-A386 PolarHBondContact OD1-N 3.48Å; N384-G387 PolarHBondContact O-N 2.91Å; N384-G387 VanDerWaalsContact O-N 3.07Å
385	Y	98.1	Very high	96.3	Very high	51 Å²	51	34.8 Å²	34.8	20%	0.2	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.6	179.3	-72	-74.5	0	0	0	114.7	M316 M320 K369 L372 G373 E376 V383 G387 A388	M316-Y385 HydrophobicContact CE-CE2 4.28Å; M316-Y385 VanDerWaalsContact CE-OH 3.32Å; M316-Y385 WeakPolarHBondContact CE-OH 3.26Å; M320-Y385 HydrophobicContact CG-CE1 4Å; M320-Y385 HydrophobicContact SD-CD1 4.17Å; M320-Y385 HydrophobicContact SD-CE1 3.76Å; K369-Y385 HydrophobicContact CB-CD1 4.2Å; K369-Y385 HydrophobicContact CD-CD1 4.47Å; K369-Y385 HydrophobicContact CG-CD1 4.11Å; L372-Y385 HydrophobicContact CB-CD1 4.02Å; L372-Y385 HydrophobicContact CB-CE1 3.79Å; L372-Y385 HydrophobicContact CD1-CD1 4.29Å; G373-Y385 WeakPolarHBondContact CA-OH 3.29Å; E376-Y385 WeakPolarHBondContact OE2-CE2 3.39Å; E376-Y385 PolarHBondContact OE2-OH 2.79Å; V383-Y385 HydrophobicContact CG2-CD1 4.39Å; V383-Y385 HydrophobicContact CG2-CD2 3.73Å; V383-Y385 HydrophobicContact CG2-CE1 4.01Å; V383-Y385 HydrophobicContact CG2-CE2 3.26Å; V383-Y385 HydrophobicContact CG2-CG 4.27Å; V383-Y385 VanDerWaalsContact CG2-CZ 3.42Å; Y385-G387 PolarHBondContact O-N 3.32Å; Y385-A388 WeakPolarHBondContact O-CB 3.03Å; Y385-A388 PolarHBondContact O-N 2.85Å
386	A	97.7	Very high	96.2	Very high	98 Å²	98	40.2 Å²	40.2	81%	0.81	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-69.4	-20.5	177.2	0	0	0	0	0	112.3	N384	N384-A386 PolarHBondContact O-N 3.04Å; N384-A386 PolarHBondContact OD1-N 3.48Å
387	G	96.8	Very high	96.2	Very high	34 Å²	34	39.6 Å²	39.6	35%	0.351	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-86.6	-3.7	174.7	0	0	0	0	0	114.5	N384 Y385	N384-G387 PolarHBondContact O-N 2.91Å; N384-G387 VanDerWaalsContact O-N 3.07Å; Y385-G387 PolarHBondContact O-N 3.32Å
388	A	97.1	Very high	96.1	Very high	20 Å²	20	40.2 Å²	40.2	17%	0.165	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.9	140.9	179.1	0	0	0	0	0	111.3	K369 L372 Y385	K369-A388 HydrophobicContact CG-CB 3.61Å; L372-A388 HydrophobicContact CD1-CB 3.87Å; Y385-A388 WeakPolarHBondContact O-CB 3.03Å; Y385-A388 PolarHBondContact O-N 2.85Å
389	N	95	Very high	96.2	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-71.6	142.1	175	-65.7	113.8	0	0	0	110.9	Y366 I367	Y366-N389 HydrophobicContact CD1-CB 3.63Å; Y366-N389 HydrophobicContact CG-CB 3.95Å; I367-N389 PolarHBondContact N-OD1 2.86Å; I367-N389 PolarHBondContact O-N 3.36Å
390	P	91.3	Very high	96.2	Very high	111 Å²	111	43.4 Å²	43.4	72%	0.721	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-71.1	141	168.7	30.8	-33.3	0	0	0	110.2
391	M	90.5	Very high	96.3	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.044	26%	0.256	C	S	.	.			trans	-133.8	144.4	175.3	-58.9	-169.6	-45.1	0	0	110.4	Y324 I352 E355 Y366	Y324-M391 HydrophobicContact CE1-CE 4.5Å; Y324-M391 HydrophobicContact CE2-CB 4.23Å; Y324-M391 HydrophobicContact CE2-CE 4.2Å; Y324-M391 WeakPolarHBondContact OH-CB 3.42Å; Y324-M391 PolarHBondContact OH-O 3.34Å; I352-M391 HydrophobicContact CG2-CE 4.45Å; E355-M391 HydrophobicContact CB-CE 4.44Å; E355-M391 HydrophobicContact CB-SD 4.2Å; E355-M391 HydrophobicContact CG-CE 3.92Å; E355-M391 HydrophobicContact CG-SD 3.95Å; Y366-M391 HydrophobicContact CD2-CG 3.82Å; Y366-M391 HydrophobicContact CD2-SD 4.36Å; Y366-M391 HydrophobicContact CG-CG 3.97Å; Y366-M391 HydrophobicContact CG-SD 4.49Å
392	G	90	Very high	96.2	Very high	11 Å²	11	43.3 Å²	43.3	11%	0.113	26%	0.256	C	S	.	.			trans	-102.1	-33.5	-179.5	0	0	0	0	0	115.8	G394 K395	G392-G394 PolarHBondContact O-N 3.14Å; G392-K395 WeakPolarHBondContact O-CB 3.18Å; G392-K395 PolarHBondContact O-N 3.33Å
393	Y	94.3	Very high	96.2	Very high	16 Å²	16	41.8 Å²	41.8	6%	0.063	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	122.5	-173.9	-176.8	-76.7	0	0	0	111.5	Y324 R350 D353 K395 F401 P422 Y423 A477	Y324-Y393 WeakPolarHBondContact CE1-O 3.3Å; Y324-Y393 PolarHBondContact OH-O 3.27Å; R350-Y393 WeakPolarHBondContact O-CE1 3.42Å; R350-Y393 PolarHBondContact O-OH 3.49Å; D353-Y393 HydrophobicContact CB-CD1 3.73Å; D353-Y393 HydrophobicContact CB-CD2 3.59Å; D353-Y393 HydrophobicContact CB-CE1 3.89Å; D353-Y393 HydrophobicContact CB-CE2 3.74Å; D353-Y393 HydrophobicContact CB-CG 3.59Å; D353-Y393 VanDerWaalsContact N-CD1 3.29Å; Y393-K395 PolarHBondContact O-N 3.3Å; Y393-F401 HydrophobicContact CD1-CZ 4.49Å; Y393-F401 AromaticContact CE1-CZ 3.81Å; Y393-F401 HydrophobicContact CE1-CZ 3.81Å; Y393-P422 HydrophobicContact CD2-CB 3.63Å; Y393-P422 HydrophobicContact CD2-CG 3.53Å; Y393-P422 HydrophobicContact CE1-CG 4.38Å; Y393-P422 HydrophobicContact CE2-CB 3.64Å; Y393-P422 HydrophobicContact CE2-CG 3.31Å; Y393-P422 HydrophobicContact CG-CG 4.16Å; Y393-Y423 WeakPolarHBondContact OH-CE1 3.43Å; Y393-A477 HydrophobicContact CE2-CB 4.12Å
394	G	95.5	Very high	96.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-13.5	-178.9	0	0	0	0	0	115	F325 G392 H396 L397	F325-G394 WeakPolarHBondContact CD1-O 3.41Å; G392-G394 PolarHBondContact O-N 3.14Å; G394-H396 PolarHBondContact O-N 3.45Å; G394-L397 PolarHBondContact O-N 3.08Å
395	K	95.9	Very high	96.2	Very high	85 Å²	85	40.1 Å²	40.1	37%	0.37	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	126.3	-174.8	-170.9	179.8	178.6	-175.1	0	112.1	Y324 G392 Y393 L397	Y324-K395 HydrophobicContact CD2-CG 4.32Å; Y324-K395 HydrophobicContact CE1-CB 4.42Å; Y324-K395 HydrophobicContact CE2-CB 3.94Å; Y324-K395 HydrophobicContact CE2-CD 4.36Å; Y324-K395 HydrophobicContact CE2-CG 4.03Å; Y324-K395 WeakPolarHBondContact O-CA 3.42Å; G392-K395 WeakPolarHBondContact O-CB 3.18Å; G392-K395 PolarHBondContact O-N 3.33Å; Y393-K395 PolarHBondContact O-N 3.3Å; K395-L397 PolarHBondContact O-N 2.8Å
396	H	96.8	Very high	96.1	Very high	115 Å²	115	37.7 Å²	37.7	53%	0.532	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	27.4	179.3	-51.6	158.9	0	0	0	115.3	Y324 F325 N326 G394 G398	Y324-H396 PolarHBondContact O-CD2 2.98Å; Y324-H396 PolarHBondContact O-N 2.92Å; F325-H396 CarbonylContact O-C 3.54Å; F325-H396 WeakPolarHBondContact O-CA 3.4Å; N326-H396 HydrophobicContact CB-CB 4.22Å; G394-H396 PolarHBondContact O-N 3.45Å; H396-G398 VanDerWaalsContact C-N 3.35Å
397	L	97.2	Very high	96.2	Very high	48 Å²	48	34.7 Å²	34.7	25%	0.251	20%	0.195	S	C	.	.			trans	-87.6	-1.6	179.7	-60.2	-175.7	0	0	0	114.3	F325 G394 K395 F401 P422	F325-L397 PolarHBondContact O-N 2.91Å; G394-L397 PolarHBondContact O-N 3.08Å; K395-L397 PolarHBondContact O-N 2.8Å; L397-F401 HydrophobicContact CB-CB 3.54Å; L397-F401 HydrophobicContact CB-CD1 4.07Å; L397-F401 HydrophobicContact CB-CD2 4.07Å; L397-F401 HydrophobicContact CB-CG 3.62Å; L397-F401 HydrophobicContact CD1-CD1 4.27Å; L397-F401 HydrophobicContact CD1-CD2 3.56Å; L397-F401 HydrophobicContact CD1-CE1 4.36Å; L397-F401 HydrophobicContact CD1-CE2 3.64Å; L397-F401 HydrophobicContact CD1-CG 3.89Å; L397-F401 HydrophobicContact CD1-CZ 4.07Å; L397-F401 HydrophobicContact CG-CD2 4.48Å; L397-F401 HydrophobicContact CG-CG 4.41Å; L397-P422 VanDerWaalsContact CD1-CD 3.44Å; L397-P422 HydrophobicContact CD1-CG 4.46Å
398	G	98	Very high	96.3	Very high	16 Å²	16	34.7 Å²	34.7	17%	0.165	19%	0.186	C	C	.	.	H	α-helix	trans	78.7	-179.9	171.6	0	0	0	0	0	114.8	F325 H396 D400 F401 V402	F325-G398 WeakPolarHBondContact O-CA 3.49Å; F325-G398 PolarHBondContact O-N 2.85Å; H396-G398 VanDerWaalsContact C-N 3.35Å; G398-D400 VanDerWaalsContact C-N 3.31Å; G398-D400 PolarHBondContact O-N 2.9Å; G398-F401 PolarHBondContact O-N 2.8Å; G398-V402 PolarHBondContact O-N 2.87Å
399	C	98.3	Very high	96.3	Very high	27 Å²	27	33.9 Å²	33.9	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-31.8	-176.7	-61.4	0	0	0	0	113.3	C327 F401 V402 M403	C327-C399 WeakPolarHBondContact CA-SG 3.33Å; C327-C399 HydrophobicContact CB-CB 4.02Å; C327-C399 WeakPolarHBondContact CB-SG 3.49Å; C327-C399 WeakPolarHBondContact SG-CA 3.43Å; C327-C399 WeakPolarHBondContact SG-CB 3.44Å; C327-C399 CovalentContact SG-SG 2.04Å; C327-C399 PolarHBondContact SG-SG 2.98Å; C399-F401 PolarHBondContact O-N 3.1Å; C399-V402 PolarHBondContact O-N 3.44Å; C399-M403 HydrophobicContact CB-SD 4.08Å; C399-M403 WeakPolarHBondContact O-CB 3.31Å; C399-M403 PolarHBondContact O-N 2.98Å
400	D	98	Very high	96.5	Very high	48 Å²	48	31.2 Å²	31.2	26%	0.257	17%	0.165	S	C	.	.	H	α-helix	trans	-59	-36.1	175.8	-72.7	-30	0	0	0	111.7	G398 K404 Y409 I412 K416	G398-D400 VanDerWaalsContact C-N 3.31Å; G398-D400 PolarHBondContact O-N 2.9Å; D400-K404 HydrophobicContact CB-CD 4.22Å; D400-K404 VanDerWaalsContact O-CB 3.26Å; D400-K404 WeakPolarHBondContact O-CB 3.38Å; D400-K404 WeakPolarHBondContact OD1-CE 3.36Å; D400-Y409 HydrophobicContact CB-CD2 4.13Å; D400-I412 HydrophobicContact CB-CD1 4.34Å; D400-K416 IonicContact OD2-NZ 2.9Å; D400-K416 PolarHBondContact OD2-NZ 3.05Å
401	F	98.2	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72	-45.1	178.1	176.7	-95.4	0	0	0	112.1	F325 R350 Y393 L397 G398 C399 Y409 P422 Y423	F325-F401 HydrophobicContact CD1-CD1 4.49Å; F325-F401 HydrophobicContact CE1-CE1 4.38Å; R350-F401 PolarHBondContact NH1-O 3.31Å; Y393-F401 HydrophobicContact CD1-CZ 4.49Å; Y393-F401 AromaticContact CE1-CZ 3.81Å; Y393-F401 HydrophobicContact CE1-CZ 3.81Å; L397-F401 HydrophobicContact CB-CB 3.54Å; L397-F401 HydrophobicContact CB-CD1 4.07Å; L397-F401 HydrophobicContact CB-CD2 4.07Å; L397-F401 HydrophobicContact CB-CG 3.62Å; L397-F401 HydrophobicContact CD1-CD1 4.27Å; L397-F401 HydrophobicContact CD1-CD2 3.56Å; L397-F401 HydrophobicContact CD1-CE1 4.36Å; L397-F401 HydrophobicContact CD1-CE2 3.64Å; L397-F401 HydrophobicContact CD1-CG 3.89Å; L397-F401 HydrophobicContact CD1-CZ 4.07Å; L397-F401 HydrophobicContact CG-CD2 4.48Å; L397-F401 HydrophobicContact CG-CG 4.41Å; G398-F401 PolarHBondContact O-N 2.8Å; C399-F401 PolarHBondContact O-N 3.1Å; F401-Y409 HydrophobicContact CB-CD2 3.85Å; F401-Y409 HydrophobicContact CB-CE2 3.7Å; F401-Y409 HydrophobicContact CD2-CD1 4.32Å; F401-Y409 HydrophobicContact CD2-CD2 4.36Å; F401-Y409 HydrophobicContact CD2-CE1 4.07Å; F401-Y409 HydrophobicContact CD2-CE2 4.13Å; F401-Y409 HydrophobicContact CD2-CG 4.43Å; F401-Y409 AromaticContact CD2-CZ 3.97Å; F401-Y409 HydrophobicContact CG-CE2 4.43Å; F401-P422 HydrophobicContact CE2-CG 4.19Å; F401-P422 HydrophobicContact CZ-CG 4.44Å; F401-Y423 HydrophobicContact CD2-CD2 4.49Å; F401-Y423 AromaticContact CD2-CE2 3.7Å; F401-Y423 HydrophobicContact CD2-CE2 3.7Å; F401-Y423 HydrophobicContact CE2-CD2 4.14Å; F401-Y423 AromaticContact CE2-CE2 3.33Å; F401-Y423 HydrophobicContact CE2-CE2 3.33Å; F401-Y423 AromaticContact CE2-CZ 3.56Å; F401-Y423 HydrophobicContact CZ-CE2 4.33Å
402	V	97.6	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-80.2	-42.7	-170.7	-175.5	0	0	0	0	111.8	F325 L330 R350 L351 G398 C399	F325-V402 HydrophobicContact CB-CG2 3.57Å; F325-V402 HydrophobicContact CD1-CG2 3.36Å; F325-V402 HydrophobicContact CD2-CG1 4.39Å; F325-V402 HydrophobicContact CD2-CG2 3.8Å; F325-V402 HydrophobicContact CE1-CG2 3.92Å; F325-V402 HydrophobicContact CE2-CG1 4.42Å; F325-V402 HydrophobicContact CE2-CG2 4.3Å; F325-V402 HydrophobicContact CG-CG2 3.31Å; F325-V402 HydrophobicContact CZ-CG2 4.34Å; L330-V402 HydrophobicContact CD1-CG1 3.54Å; R350-V402 PolarHBondContact NH2-O 2.9Å; R350-V402 VanDerWaalsContact NH2-O 3.09Å; L351-V402 HydrophobicContact CD1-CG1 3.94Å; L351-V402 HydrophobicContact CD2-CB 4.22Å; L351-V402 HydrophobicContact CD2-CG1 3.85Å; L351-V402 WeakPolarHBondContact CD2-O 3.49Å; G398-V402 PolarHBondContact O-N 2.87Å; C399-V402 PolarHBondContact O-N 3.44Å
403	M	97.6	Very high	97.5	Very high	41 Å²	41	28.5 Å²	28.5	20%	0.202	14%	0.141	C	C	.	.	H	α-helix	trans	-98.1	-4.3	-167.8	-58	178.3	69.7	0	0	113.7	R296 E329 L330 C399	R296-M403 WeakPolarHBondContact CD-O 3.47Å; E329-M403 HydrophobicContact CB-SD 4.3Å; L330-M403 HydrophobicContact CD1-CG 4.39Å; C399-M403 HydrophobicContact CB-SD 4.08Å; C399-M403 WeakPolarHBondContact O-CB 3.31Å; C399-M403 PolarHBondContact O-N 2.98Å
404	K	97.9	Very high	97.7	Very high	53 Å²	53	32.8 Å²	32.8	23%	0.23	16%	0.157	C	C	.	.	S	Bend	trans	-118.4	167.3	176.7	-53	175.7	166.4	-68.7	0	110.7	R350 D400 E408 I412	R350-K404 PolarHBondContact NH1-O 3.31Å; D400-K404 HydrophobicContact CB-CD 4.22Å; D400-K404 VanDerWaalsContact O-CB 3.26Å; D400-K404 WeakPolarHBondContact O-CB 3.38Å; D400-K404 WeakPolarHBondContact OD1-CE 3.36Å; K404-E408 HydrophobicContact CB-CB 4.19Å; K404-E408 HydrophobicContact CD-CG 4.14Å; K404-E408 WeakPolarHBondContact CE-OE1 3.44Å; K404-E408 IonicContact NZ-OE1 3.13Å; K404-E408 PolarHBondContact NZ-OE1 3.48Å; K404-E408 IonicContact NZ-OE2 3.08Å; K404-E408 PolarHBondContact NZ-OE2 2.71Å; K404-I412 HydrophobicContact CD-CD1 3.74Å
405	S	97.7	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.			trans	-65.7	157.4	170.2	69	0	0	0	0	110.9	M299 Y407 E408 Y409	M299-S405 WeakPolarHBondContact O-CB 3.31Å; M299-S405 PolarHBondContact O-OG 3.49Å; S405-Y407 PolarHBondContact O-N 3.49Å; S405-E408 PolarHBondContact O-N 2.91Å; S405-E408 PolarHBondContact OG-N 3.4Å; S405-E408 VanDerWaalsContact OG-N 3.15Å; S405-Y409 WeakPolarHBondContact O-CB 3.42Å; S405-Y409 PolarHBondContact O-N 3.08Å
406	C	97.9	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-31.8	173.4	52.3	0	0	0	0	112.4	M410 Y423 Y459 C475	C406-M410 WeakPolarHBondContact O-CB 2.81Å; C406-M410 WeakPolarHBondContact O-CG 3.34Å; C406-M410 PolarHBondContact O-N 2.98Å; C406-Y423 HydrophobicContact CB-CD1 3.99Å; C406-Y423 HydrophobicContact CB-CD2 3.79Å; C406-Y423 HydrophobicContact CB-CE1 3.71Å; C406-Y423 HydrophobicContact CB-CE2 3.47Å; C406-Y423 VanDerWaalsContact CB-CE2 3.47Å; C406-Y423 HydrophobicContact CB-CG 4.03Å; C406-Y423 VanDerWaalsContact CB-CZ 3.43Å; C406-Y459 VanDerWaalsContact SG-CD2 3.55Å; C406-Y459 WeakPolarHBondContact SG-CE2 3.23Å; C406-Y459 VanDerWaalsContact SG-CZ 3.51Å; C406-C475 HydrophobicContact CB-CB 3.56Å; C406-C475 WeakPolarHBondContact CB-SG 3.3Å; C406-C475 VanDerWaalsContact SG-CA 3.5Å; C406-C475 WeakPolarHBondContact SG-CB 3.43Å; C406-C475 CovalentContact SG-SG 2.03Å; C406-C475 PolarHBondContact SG-SG 3.41Å
407	Y	98.3	Very high	97.9	Very high	34 Å²	34	48.9 Å²	48.9	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-51.2	175.3	177.2	-104.4	0	0	0	112.7	M299 S300 A301 S405 Y409 M410 L411 Y459	M299-Y407 HydrophobicContact CE-CE1 4.14Å; M299-Y407 HydrophobicContact CG-CD1 4.03Å; M299-Y407 HydrophobicContact CG-CE1 4.17Å; M299-Y407 HydrophobicContact SD-CE1 4.44Å; S300-Y407 VanDerWaalsContact C-CD1 3.41Å; S300-Y407 VanDerWaalsContact C-CE1 3.42Å; S300-Y407 VanDerWaalsContact O-CE1 3.25Å; S300-Y407 WeakPolarHBondContact O-CE1 3.24Å; A301-Y407 HydrophobicContact CB-CE2 3.9Å; S405-Y407 PolarHBondContact O-N 3.49Å; Y407-Y409 VanDerWaalsContact C-N 3.33Å; Y407-Y409 PolarHBondContact O-N 3.45Å; Y407-M410 PolarHBondContact O-N 3.19Å; Y407-L411 HydrophobicContact CD1-CD1 4.09Å; Y407-L411 HydrophobicContact CE1-CD1 3.47Å; Y407-L411 VanDerWaalsContact CE1-CD1 3.47Å; Y407-L411 HydrophobicContact CE1-CG 4.25Å; Y407-L411 HydrophobicContact CE2-CD1 4.39Å; Y407-L411 HydrophobicContact CE2-CG 4.44Å; Y407-L411 WeakPolarHBondContact O-CG 3.44Å; Y407-L411 PolarHBondContact O-N 2.73Å; Y407-Y459 WeakPolarHBondContact CD2-O 3.32Å; Y407-Y459 WeakPolarHBondContact CE2-O 2.82Å; Y407-Y459 HydrophobicContact CG-CD1 4.46Å
408	E	98.3	Very high	97.9	Very high	34 Å²	34	51.9 Å²	51.9	16%	0.159	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-43.5	179	-162.2	-176.7	164.8	0	0	110.9	M299 K404 S405 M410 L411 I412	M299-E408 HydrophobicContact CB-CB 4.15Å; M299-E408 HydrophobicContact CB-CG 4.41Å; M299-E408 HydrophobicContact SD-CB 4.45Å; M299-E408 HydrophobicContact SD-CG 4.03Å; K404-E408 HydrophobicContact CB-CB 4.19Å; K404-E408 HydrophobicContact CD-CG 4.14Å; K404-E408 WeakPolarHBondContact CE-OE1 3.44Å; K404-E408 IonicContact NZ-OE1 3.13Å; K404-E408 PolarHBondContact NZ-OE1 3.48Å; K404-E408 IonicContact NZ-OE2 3.08Å; K404-E408 PolarHBondContact NZ-OE2 2.71Å; S405-E408 PolarHBondContact O-N 2.91Å; S405-E408 PolarHBondContact OG-N 3.4Å; S405-E408 VanDerWaalsContact OG-N 3.15Å; E408-M410 PolarHBondContact O-N 3.05Å; E408-L411 WeakPolarHBondContact O-CB 3.35Å; E408-L411 PolarHBondContact O-N 3.09Å; E408-I412 HydrophobicContact CG-CD1 4.09Å; E408-I412 VanDerWaalsContact O-CG1 3.3Å; E408-I412 WeakPolarHBondContact O-CG1 3.3Å; E408-I412 PolarHBondContact O-N 3.01Å
409	Y	98.5	Very high	97.7	Very high	3 Å²	3	55 Å²	55	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-48.8	174.7	173.4	-96.8	0	0	0	111.8	D400 F401 S405 Y407 L411 I412 Q413 F420 Y423	D400-Y409 HydrophobicContact CB-CD2 4.13Å; F401-Y409 HydrophobicContact CB-CD2 3.85Å; F401-Y409 HydrophobicContact CB-CE2 3.7Å; F401-Y409 HydrophobicContact CD2-CD1 4.32Å; F401-Y409 HydrophobicContact CD2-CD2 4.36Å; F401-Y409 HydrophobicContact CD2-CE1 4.07Å; F401-Y409 HydrophobicContact CD2-CE2 4.13Å; F401-Y409 HydrophobicContact CD2-CG 4.43Å; F401-Y409 AromaticContact CD2-CZ 3.97Å; F401-Y409 HydrophobicContact CG-CE2 4.43Å; S405-Y409 WeakPolarHBondContact O-CB 3.42Å; S405-Y409 PolarHBondContact O-N 3.08Å; Y407-Y409 VanDerWaalsContact C-N 3.33Å; Y407-Y409 PolarHBondContact O-N 3.45Å; Y409-L411 VanDerWaalsContact C-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.22Å; Y409-I412 PolarHBondContact O-N 2.97Å; Y409-Q413 HydrophobicContact CD1-CG 4.26Å; Y409-Q413 HydrophobicContact CD2-CG 4.19Å; Y409-Q413 HydrophobicContact CE1-CG 3.86Å; Y409-Q413 HydrophobicContact CE2-CG 3.77Å; Y409-Q413 HydrophobicContact CG-CG 4.43Å; Y409-Q413 WeakPolarHBondContact O-CG 3.39Å; Y409-Q413 PolarHBondContact O-N 2.91Å; Y409-F420 HydrophobicContact CD1-CB 4.39Å; Y409-F420 HydrophobicContact CE1-CB 3.99Å; Y409-Y423 AromaticContact CD1-CD2 3.6Å; Y409-Y423 HydrophobicContact CD1-CD2 3.6Å; Y409-Y423 AromaticContact CD1-CE2 3.85Å; Y409-Y423 HydrophobicContact CD1-CE2 3.85Å; Y409-Y423 AromaticContact CE1-CD2 3.91Å; Y409-Y423 HydrophobicContact CE1-CD2 3.91Å; Y409-Y423 HydrophobicContact CE1-CE2 4.31Å
410	M	98.1	Very high	97.6	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-40.7	177.5	-73	167.9	71.8	0	0	111.8	C406 Y407 E408 R414 F420 Y423 D425	C406-M410 WeakPolarHBondContact O-CB 2.81Å; C406-M410 WeakPolarHBondContact O-CG 3.34Å; C406-M410 PolarHBondContact O-N 2.98Å; Y407-M410 PolarHBondContact O-N 3.19Å; E408-M410 PolarHBondContact O-N 3.05Å; M410-R414 WeakPolarHBondContact O-CB 3.43Å; M410-R414 VanDerWaalsContact O-CG 3.26Å; M410-R414 WeakPolarHBondContact O-CG 3.38Å; M410-R414 PolarHBondContact O-N 3Å; M410-F420 HydrophobicContact CB-CB 4.4Å; M410-F420 HydrophobicContact CB-CG 4.39Å; M410-F420 HydrophobicContact CE-CD2 3.97Å; M410-F420 HydrophobicContact CE-CE2 3.73Å; M410-F420 HydrophobicContact CE-CZ 4.3Å; M410-F420 HydrophobicContact CG-CB 3.98Å; M410-F420 HydrophobicContact CG-CD2 3.8Å; M410-F420 HydrophobicContact CG-CG 3.95Å; M410-F420 HydrophobicContact SD-CD2 4.45Å; M410-Y423 HydrophobicContact CG-CD2 4.48Å; M410-D425 HydrophobicContact CE-CB 3.86Å
411	L	97.9	Very high	97.4	Very high	35 Å²	35	54.6 Å²	54.6	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-45.2	174.6	-71.3	-176.4	0	0	0	112.3	M299 Y407 E408 Y409 R414 R415	M299-L411 HydrophobicContact CE-CD1 4.38Å; Y407-L411 HydrophobicContact CD1-CD1 4.09Å; Y407-L411 HydrophobicContact CE1-CD1 3.47Å; Y407-L411 VanDerWaalsContact CE1-CD1 3.47Å; Y407-L411 HydrophobicContact CE1-CG 4.25Å; Y407-L411 HydrophobicContact CE2-CD1 4.39Å; Y407-L411 HydrophobicContact CE2-CG 4.44Å; Y407-L411 WeakPolarHBondContact O-CG 3.44Å; Y407-L411 PolarHBondContact O-N 2.73Å; E408-L411 WeakPolarHBondContact O-CB 3.35Å; E408-L411 PolarHBondContact O-N 3.09Å; Y409-L411 VanDerWaalsContact C-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.22Å; L411-R414 PolarHBondContact O-N 3.3Å; L411-R415 WeakPolarHBondContact O-CG 3.34Å; L411-R415 PolarHBondContact O-N 3.33Å
412	I	98.3	Very high	97.3	Very high	24 Å²	24	54.7 Å²	54.7	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-48.7	178.1	-70.5	166.4	0	0	0	110.3	D400 K404 E408 Y409 R414 R415 K416	D400-I412 HydrophobicContact CB-CD1 4.34Å; K404-I412 HydrophobicContact CD-CD1 3.74Å; E408-I412 HydrophobicContact CG-CD1 4.09Å; E408-I412 VanDerWaalsContact O-CG1 3.3Å; E408-I412 WeakPolarHBondContact O-CG1 3.3Å; E408-I412 PolarHBondContact O-N 3.01Å; Y409-I412 PolarHBondContact O-N 2.97Å; I412-R414 PolarHBondContact O-N 2.84Å; I412-R415 PolarHBondContact O-N 3.44Å; I412-K416 HydrophobicContact CG2-CD 3.99Å; I412-K416 VanDerWaalsContact CG2-CE 3.49Å; I412-K416 VanDerWaalsContact CG2-NZ 3.34Å; I412-K416 WeakPolarHBondContact O-CG 3.36Å; I412-K416 PolarHBondContact O-N 3.15Å
413	Q	98.2	Very high	97.2	Very high	16 Å²	16	54.7 Å²	54.7	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-40.2	-179.6	-66.4	-54.3	90.4	0	0	112.1	Y409 R415 K416 R417 Q418 S419 F420	Y409-Q413 HydrophobicContact CD1-CG 4.26Å; Y409-Q413 HydrophobicContact CD2-CG 4.19Å; Y409-Q413 HydrophobicContact CE1-CG 3.86Å; Y409-Q413 HydrophobicContact CE2-CG 3.77Å; Y409-Q413 HydrophobicContact CG-CG 4.43Å; Y409-Q413 WeakPolarHBondContact O-CG 3.39Å; Y409-Q413 PolarHBondContact O-N 2.91Å; Q413-R415 PolarHBondContact O-N 2.9Å; Q413-K416 CarbonylContact O-C 3.58Å; Q413-K416 PolarHBondContact O-N 3.32Å; Q413-R417 PolarHBondContact O-N 3.11Å; Q413-Q418 VanDerWaalsContact NE2-OE1 3.11Å; Q413-Q418 PolarHBondContact O-N 3.39Å; Q413-S419 PolarHBondContact NE2-O 3.37Å; Q413-F420 HydrophobicContact CB-CB 3.83Å; Q413-F420 HydrophobicContact CG-CB 4.18Å
414	R	96.9	Very high	97.1	Very high	105 Å²	105	52.8 Å²	52.8	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-45	173.2	-77.4	177.3	-176.3	149.7	-1.6	112.1	M410 L411 I412 K416 R417 F420 D425	M410-R414 WeakPolarHBondContact O-CB 3.43Å; M410-R414 VanDerWaalsContact O-CG 3.26Å; M410-R414 WeakPolarHBondContact O-CG 3.38Å; M410-R414 PolarHBondContact O-N 3Å; L411-R414 PolarHBondContact O-N 3.3Å; I412-R414 PolarHBondContact O-N 2.84Å; R414-K416 VanDerWaalsContact C-N 3.29Å; R414-K416 PolarHBondContact O-N 3.45Å; R414-R417 PolarHBondContact O-N 3.24Å; R414-F420 HydrophobicContact CG-CD1 4.19Å; R414-F420 HydrophobicContact CG-CE1 4.25Å; R414-D425 IonicContact CZ-OD2 2.74Å; R414-D425 IonicContact NE-OD2 2.68Å; R414-D425 IonicContact NH2-OD2 3.8Å; R414-D425 PolarHBondContact NH2-OD2 3.37Å
415	R	98.1	Very high	96.9	Very high	195 Å²	195	52.8 Å²	52.8	74%	0.736	23%	0.231	S	C	*	.	H	α-helix	trans	-61.2	-38.5	176.2	-71.9	173.4	-173.5	167.5	3.4	112	L411 I412 Q413 R417	L411-R415 WeakPolarHBondContact O-CG 3.34Å; L411-R415 PolarHBondContact O-N 3.33Å; I412-R415 PolarHBondContact O-N 3.44Å; Q413-R415 PolarHBondContact O-N 2.9Å; R415-R417 PolarHBondContact O-N 3.33Å
416	K	97.8	Very high	96.4	Very high	106 Å²	106	56.6 Å²	56.6	46%	0.461	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-2.6	174.8	-67	173.5	-176.7	168	0	113.5	D400 I412 Q413 R414 Q418	D400-K416 IonicContact OD2-NZ 2.9Å; D400-K416 PolarHBondContact OD2-NZ 3.05Å; I412-K416 HydrophobicContact CG2-CD 3.99Å; I412-K416 VanDerWaalsContact CG2-CE 3.49Å; I412-K416 VanDerWaalsContact CG2-NZ 3.34Å; I412-K416 WeakPolarHBondContact O-CG 3.36Å; I412-K416 PolarHBondContact O-N 3.15Å; Q413-K416 CarbonylContact O-C 3.58Å; Q413-K416 PolarHBondContact O-N 3.32Å; R414-K416 VanDerWaalsContact C-N 3.29Å; R414-K416 PolarHBondContact O-N 3.45Å; K416-Q418 HydrophobicContact CB-CB 4.39Å; K416-Q418 HydrophobicContact CB-CG 4.06Å; K416-Q418 PolarHBondContact O-N 2.99Å
417	R	97.1	Very high	95.5	Very high	238 Å²	238	61.8 Å²	61.8	90%	0.898	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	35.8	-171.4	-57.4	-178.7	179	176.7	-0.8	112.7	Q413 R414 R415	Q413-R417 PolarHBondContact O-N 3.11Å; R414-R417 PolarHBondContact O-N 3.24Å; R415-R417 PolarHBondContact O-N 3.33Å
418	Q	96.7	Very high	94.1	Very high	110 Å²	110	61.2 Å²	61.2	51%	0.514	28%	0.28	S	S	.	.			trans	-107.5	158.1	177.5	-70.5	-178.6	-7.4	0	0	110.7	Q413 K416	Q413-Q418 VanDerWaalsContact NE2-OE1 3.11Å; Q413-Q418 PolarHBondContact O-N 3.39Å; K416-Q418 HydrophobicContact CB-CB 4.39Å; K416-Q418 HydrophobicContact CB-CG 4.06Å; K416-Q418 PolarHBondContact O-N 2.99Å
419	S	93.8	Very high	92.8	Very high	82 Å²	82	65.3 Å²	65.3	57%	0.573	30%	0.298	S	S	*	.			trans	-63.6	139.8	169.8	-176.7	0	0	0	0	110.3	Q413 Y421	Q413-S419 PolarHBondContact NE2-O 3.37Å; S419-Y421 WeakPolarHBondContact OG-CB 3.48Å; S419-Y421 PolarHBondContact OG-N 3.33Å
420	F	96	Very high	91.5	Very high	31 Å²	31	67.8 Å²	67.8	14%	0.136	32%	0.316	C	S	.	.			trans	-100.6	16.4	169.7	53.9	-96	0	0	0	112.6	Y409 M410 Q413 R414 Y423 D425	Y409-F420 HydrophobicContact CD1-CB 4.39Å; Y409-F420 HydrophobicContact CE1-CB 3.99Å; M410-F420 HydrophobicContact CB-CB 4.4Å; M410-F420 HydrophobicContact CB-CG 4.39Å; M410-F420 HydrophobicContact CE-CD2 3.97Å; M410-F420 HydrophobicContact CE-CE2 3.73Å; M410-F420 HydrophobicContact CE-CZ 4.3Å; M410-F420 HydrophobicContact CG-CB 3.98Å; M410-F420 HydrophobicContact CG-CD2 3.8Å; M410-F420 HydrophobicContact CG-CG 3.95Å; M410-F420 HydrophobicContact SD-CD2 4.45Å; Q413-F420 HydrophobicContact CB-CB 3.83Å; Q413-F420 HydrophobicContact CG-CB 4.18Å; R414-F420 HydrophobicContact CG-CD1 4.19Å; R414-F420 HydrophobicContact CG-CE1 4.25Å; F420-Y423 VanDerWaalsContact CD2-O 3.25Å; F420-Y423 WeakPolarHBondContact CD2-O 3Å; F420-Y423 WeakPolarHBondContact CE2-O 3.37Å; F420-Y423 WeakPolarHBondContact O-CB 3.2Å; F420-Y423 PolarHBondContact O-N 3.07Å; F420-D425 HydrophobicContact CZ-CB 4.41Å; F420-D425 WeakPolarHBondContact CZ-OD2 3.36Å
421	Y	94.6	Very high	90.7	Very high	35 Å²	35	70 Å²	70	14%	0.137	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	135.7	168.8	179.9	-81.6	0	0	0	109.9	S419 L433 K436 Y478	S419-Y421 WeakPolarHBondContact OG-CB 3.48Å; S419-Y421 PolarHBondContact OG-N 3.33Å; Y421-L433 HydrophobicContact CE2-CD1 4.22Å; Y421-K436 HydrophobicContact CD1-CD 4Å; Y421-K436 HydrophobicContact CE1-CB 4Å; Y421-K436 HydrophobicContact CE1-CD 3.86Å; Y421-K436 HydrophobicContact CE1-CG 4.01Å; Y421-K436 PolarHBondContact OH-N 3.19Å; Y421-Y478 AromaticContact CD2-CD2 3.96Å; Y421-Y478 HydrophobicContact CD2-CD2 3.96Å; Y421-Y478 HydrophobicContact CE2-CD2 4.24Å
422	P	95.4	Very high	90.2	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.013	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-6.7	16.3	34.1	-37.9	0	0	0	115.5	Y393 L397 F401 A477 Y478	Y393-P422 HydrophobicContact CD2-CB 3.63Å; Y393-P422 HydrophobicContact CD2-CG 3.53Å; Y393-P422 HydrophobicContact CE1-CG 4.38Å; Y393-P422 HydrophobicContact CE2-CB 3.64Å; Y393-P422 HydrophobicContact CE2-CG 3.31Å; Y393-P422 HydrophobicContact CG-CG 4.16Å; L397-P422 VanDerWaalsContact CD1-CD 3.44Å; L397-P422 HydrophobicContact CD1-CG 4.46Å; F401-P422 HydrophobicContact CE2-CG 4.19Å; F401-P422 HydrophobicContact CZ-CG 4.44Å; P422-A477 VanDerWaalsContact O-CA 3.28Å; P422-A477 WeakPolarHBondContact O-CA 3.46Å; P422-A477 WeakPolarHBondContact O-CB 3.45Å; P422-Y478 PolarHBondContact O-N 2.03Å
423	Y	96.6	Very high	89.8	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-68.7	159.2	178.8	-58.9	-55.5	0	0	0	111.9	R350 Y393 F401 C406 Y409 M410 F420 C475 P476 A477	R350-Y423 WeakPolarHBondContact CG-OH 3.5Å; R350-Y423 PolarHBondContact O-OH 3.1Å; Y393-Y423 WeakPolarHBondContact OH-CE1 3.43Å; F401-Y423 HydrophobicContact CD2-CD2 4.49Å; F401-Y423 AromaticContact CD2-CE2 3.7Å; F401-Y423 HydrophobicContact CD2-CE2 3.7Å; F401-Y423 HydrophobicContact CE2-CD2 4.14Å; F401-Y423 AromaticContact CE2-CE2 3.33Å; F401-Y423 HydrophobicContact CE2-CE2 3.33Å; F401-Y423 AromaticContact CE2-CZ 3.56Å; F401-Y423 HydrophobicContact CZ-CE2 4.33Å; C406-Y423 HydrophobicContact CB-CD1 3.99Å; C406-Y423 HydrophobicContact CB-CD2 3.79Å; C406-Y423 HydrophobicContact CB-CE1 3.71Å; C406-Y423 HydrophobicContact CB-CE2 3.47Å; C406-Y423 VanDerWaalsContact CB-CE2 3.47Å; C406-Y423 HydrophobicContact CB-CG 4.03Å; C406-Y423 VanDerWaalsContact CB-CZ 3.43Å; Y409-Y423 AromaticContact CD1-CD2 3.6Å; Y409-Y423 HydrophobicContact CD1-CD2 3.6Å; Y409-Y423 AromaticContact CD1-CE2 3.85Å; Y409-Y423 HydrophobicContact CD1-CE2 3.85Å; Y409-Y423 AromaticContact CE1-CD2 3.91Å; Y409-Y423 HydrophobicContact CE1-CD2 3.91Å; Y409-Y423 HydrophobicContact CE1-CE2 4.31Å; M410-Y423 HydrophobicContact CG-CD2 4.48Å; F420-Y423 VanDerWaalsContact CD2-O 3.25Å; F420-Y423 WeakPolarHBondContact CD2-O 3Å; F420-Y423 WeakPolarHBondContact CE2-O 3.37Å; F420-Y423 WeakPolarHBondContact O-CB 3.2Å; F420-Y423 PolarHBondContact O-N 3.07Å; Y423-C475 HydrophobicContact CD1-CB 3.96Å; Y423-C475 HydrophobicContact CE1-CB 3.48Å; Y423-C475 VanDerWaalsContact CE1-CB 3.48Å; Y423-P476 CarbonylContact C-O 3.47Å; Y423-P476 WeakPolarHBondContact CA-O 3.47Å; Y423-P476 WeakPolarHBondContact CB-O 3.33Å; Y423-P476 WeakPolarHBondContact CD1-O 3.47Å; Y423-A477 HydrophobicContact CD1-CB 4.4Å
424	C	95.3	Very high	89.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.329	C	S	.	.			trans	-144.1	158.8	-175.5	65.7	0	0	0	0	111.2	C444 P476 A477 Y478	C424-C444 HydrophobicContact CB-CB 3.59Å; C424-C444 WeakPolarHBondContact CB-SG 3.36Å; C424-C444 WeakPolarHBondContact SG-CA 3.29Å; C424-C444 WeakPolarHBondContact SG-CB 3.31Å; C424-C444 CovalentContact SG-SG 2.01Å; C424-C444 PolarHBondContact SG-SG 3.28Å; C424-P476 PolarHBondContact N-O 3.18Å; C424-P476 VanDerWaalsContact O-CG 3.23Å; C424-P476 WeakPolarHBondContact O-CG 3.41Å; C424-P476 VanDerWaalsContact SG-C 3.59Å; C424-A477 PolarHBondContact SG-N 3.23Å; C424-Y478 HydrophobicContact CB-CD2 3.76Å; C424-Y478 HydrophobicContact CB-CE1 4.24Å; C424-Y478 HydrophobicContact CB-CE2 3.43Å; C424-Y478 VanDerWaalsContact CB-CE2 3.43Å; C424-Y478 HydrophobicContact CB-CG 4.29Å
425	D	93.6	Very high	89.3	Confident	53 Å²	53	65.1 Å²	65.1	28%	0.283	31%	0.312	S	S	.	.			trans	-133.9	5.3	-177.6	59.5	-5.5	0	0	0	113.5	M410 R414 F420 F460	M410-D425 HydrophobicContact CE-CB 3.86Å; R414-D425 IonicContact CZ-OD2 2.74Å; R414-D425 IonicContact NE-OD2 2.68Å; R414-D425 IonicContact NH2-OD2 3.8Å; R414-D425 PolarHBondContact NH2-OD2 3.37Å; F420-D425 HydrophobicContact CZ-CB 4.41Å; F420-D425 WeakPolarHBondContact CZ-OD2 3.36Å; D425-F460 HydrophobicContact CB-CE1 3.87Å
426	Q	86.1	Confident	88.6	Confident	80 Å²	80	61.7 Å²	61.7	37%	0.374	30%	0.302	S	S	.	.			trans	-95.6	126.2	-176.9	-62.7	-174	-1.8	0	0	110.4	N431 C444	Q426-N431 PolarHBondContact OE1-ND2 2.95Å; Q426-C444 VanDerWaalsContact O-CB 3.28Å; Q426-C444 WeakPolarHBondContact O-CB 3.48Å; Q426-C444 PolarHBondContact O-SG 2.72Å
427	I	79.3	Confident	87.9	Confident	110 Å²	110	63.1 Å²	63.1	56%	0.564	31%	0.31	S	S	*	.			trans	-80.5	133.8	172.1	-60.1	172.9	0	0	0	108.6	L446 L465	I427-L446 HydrophobicContact CG1-CD2 3.66Å; I427-L446 HydrophobicContact CG1-CG 4.03Å; I427-L465 HydrophobicContact CD1-CD1 3.93Å; I427-L465 HydrophobicContact CD1-CD2 3.58Å; I427-L465 HydrophobicContact CD1-CG 4.43Å; I427-L465 HydrophobicContact CG1-CD2 4.24Å
428	G	70	Confident	87.6	Confident	22 Å²	22	52.6 Å²	52.6	23%	0.227	27%	0.271	C	S	.	.	S	Bend	trans	119.7	151.4	171.7	0	0	0	0	0	113.1	S430	G428-S430 VanDerWaalsContact C-N 3.33Å
429	F	71.5	Confident	87.4	Confident	120 Å²	120	49.6 Å²	49.6	53%	0.526	26%	0.259	S	S	.	.	S	Bend	trans	-87.3	-6.1	-177.7	-55.4	-79.9	0	0	0	113.1	F443	F429-F443 AromaticContact CD1-CD2 3.38Å; F429-F443 HydrophobicContact CD1-CD2 3.38Å; F429-F443 AromaticContact CD1-CE2 3.52Å; F429-F443 HydrophobicContact CD1-CE2 3.52Å; F429-F443 HydrophobicContact CD1-CG 4.02Å; F429-F443 HydrophobicContact CD1-CZ 4.22Å; F429-F443 AromaticContact CE1-CD2 3.78Å; F429-F443 HydrophobicContact CE1-CD2 3.78Å; F429-F443 AromaticContact CE1-CE2 3.45Å; F429-F443 HydrophobicContact CE1-CE2 3.45Å; F429-F443 VanDerWaalsContact CE1-CE2 3.45Å; F429-F443 HydrophobicContact CE1-CZ 4.18Å
430	S	70.6	Confident	87.3	Confident	55 Å²	55	45.7 Å²	45.7	39%	0.385	23%	0.231	S	C	.	.	S	Bend	trans	-75.8	-40.6	-173.8	44.6	0	0	0	0	112.6	G428 T432 A539	G428-S430 VanDerWaalsContact C-N 3.33Å; S430-T432 PolarHBondContact O-N 3.11Å; S430-A539 WeakPolarHBondContact O-CB 3.35Å
431	N	80.6	Confident	87.1	Confident	50 Å²	50	44.4 Å²	44.4	27%	0.267	23%	0.226	S	C	.	.			trans	-80	88.1	-179.7	-70.6	-23.3	0	0	0	110.8	Q426	Q426-N431 PolarHBondContact OE1-ND2 2.95Å
432	T	87.3	Confident	86.9	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.043	22%	0.219	C	C	.	.			trans	-94.7	152.7	176	65.4	0	0	0	0	112.2	S430 G442 F481 P540 K541 S542	S430-T432 PolarHBondContact O-N 3.11Å; T432-G442 CarbonylContact C-O 3.48Å; T432-G442 WeakPolarHBondContact CA-O 3.37Å; T432-G442 WeakPolarHBondContact CB-O 3.3Å; T432-F481 HydrophobicContact CG2-CE2 3.61Å; T432-F481 HydrophobicContact CG2-CZ 3.92Å; T432-P540 HydrophobicContact CG2-CB 3.75Å; T432-P540 WeakPolarHBondContact OG1-CB 3.27Å; T432-K541 PolarHBondContact OG1-N 3.06Å; T432-S542 VanDerWaalsContact CB-OG 3.31Å; T432-S542 WeakPolarHBondContact CB-OG 3.37Å; T432-S542 PolarHBondContact OG1-N 3.43Å; T432-S542 PolarHBondContact OG1-OG 3.35Å
433	L	90.3	Very high	86.6	Confident	41 Å²	41	44 Å²	44	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.8	170.5	60.9	79.9	0	0	0	110.6	Y421 L435 Y441 G442 Y478 N519	Y421-L433 HydrophobicContact CE2-CD1 4.22Å; L433-L435 HydrophobicContact CD1-CD2 4.09Å; L433-L435 PolarHBondContact O-N 2.96Å; L433-Y441 CarbonylContact O-C 3.51Å; L433-Y441 VanDerWaalsContact O-CA 3.28Å; L433-Y441 WeakPolarHBondContact O-CA 3.15Å; L433-G442 PolarHBondContact N-O 2.99Å; L433-G442 PolarHBondContact O-N 2.02Å; L433-Y478 HydrophobicContact CD1-CD1 4.24Å; L433-Y478 HydrophobicContact CD1-CG 4.21Å; L433-Y478 HydrophobicContact CD2-CD1 3.86Å; L433-Y478 HydrophobicContact CD2-CD2 4.1Å; L433-Y478 HydrophobicContact CD2-CE1 3.49Å; L433-Y478 VanDerWaalsContact CD2-CE1 3.49Å; L433-Y478 HydrophobicContact CD2-CE2 3.75Å; L433-Y478 HydrophobicContact CD2-CG 4.15Å; L433-Y478 VanDerWaalsContact CD2-CZ 3.43Å; L433-Y478 HydrophobicContact CG-CD1 3.85Å; L433-Y478 HydrophobicContact CG-CE1 3.87Å; L433-Y478 HydrophobicContact CG-CG 4.27Å; L433-N519 WeakPolarHBondContact CA-OD1 3.49Å
434	C	92.8	Very high	86.5	Confident	22 Å²	22	44.1 Å²	44.1	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117	170.4	-62.6	0	0	0	0	111	K436 A440 C517 I518 N519	C434-K436 PolarHBondContact O-N 2.96Å; C434-A440 CarbonylContact C-O 3.55Å; C434-A440 WeakPolarHBondContact CA-O 3.46Å; C434-C517 WeakPolarHBondContact CA-SG 3.47Å; C434-C517 HydrophobicContact CB-CB 3.72Å; C434-C517 WeakPolarHBondContact CB-SG 3.29Å; C434-C517 WeakPolarHBondContact SG-CB 3.49Å; C434-C517 PolarHBondContact SG-O 2.88Å; C434-C517 VanDerWaalsContact SG-O 3.39Å; C434-C517 CovalentContact SG-SG 2.04Å; C434-C517 PolarHBondContact SG-SG 3.01Å; C434-I518 PolarHBondContact SG-N 2.95Å; C434-N519 PolarHBondContact N-OD1 2.84Å; C434-N519 PolarHBondContact SG-N 2.97Å; C434-N519 VanDerWaalsContact SG-N 3.45Å; C434-N519 PolarHBondContact SG-OD1 2.99Å
435	L	92.7	Very high	86.3	Confident	8 Å²	8	44.5 Å²	44.5	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	124.3	175.6	-58.4	-179	0	0	0	109.6	L433 H437 E438 A440 Y478 P480	L433-L435 HydrophobicContact CD1-CD2 4.09Å; L433-L435 PolarHBondContact O-N 2.96Å; L435-H437 PolarHBondContact O-N 3.07Å; L435-E438 HydrophobicContact CB-CB 3.97Å; L435-E438 HydrophobicContact CB-CG 4.3Å; L435-E438 HydrophobicContact CD1-CB 4.45Å; L435-E438 PolarHBondContact O-N 2.69Å; L435-A440 WeakPolarHBondContact CB-O 3.47Å; L435-A440 HydrophobicContact CD1-CB 4.36Å; L435-A440 PolarHBondContact N-O 3.19Å; L435-Y478 VanDerWaalsContact CD2-CB 3.48Å; L435-P480 HydrophobicContact CD1-CB 3.78Å; L435-P480 HydrophobicContact CD1-CG 4.19Å
436	K	82.9	Confident	86.4	Confident	122 Å²	122	42.3 Å²	42.3	53%	0.53	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.1	178	-62.9	-176.4	-178.1	177.6	0	109.4	Y421 C434 E438	Y421-K436 HydrophobicContact CD1-CD 4Å; Y421-K436 HydrophobicContact CE1-CB 4Å; Y421-K436 HydrophobicContact CE1-CD 3.86Å; Y421-K436 HydrophobicContact CE1-CG 4.01Å; Y421-K436 PolarHBondContact OH-N 3.19Å; C434-K436 PolarHBondContact O-N 2.96Å; K436-E438 PolarHBondContact O-N 3.18Å; K436-E438 VanDerWaalsContact O-N 3.14Å
437	H	83.6	Confident	86.7	Confident	137 Å²	137	43.8 Å²	43.8	63%	0.634	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	-16.9	178.4	-54.7	-75.1	0	0	0	117.8	L435	L435-H437 PolarHBondContact O-N 3.07Å
438	E	88.9	Confident	87.4	Confident	16 Å²	16	43.3 Å²	43.3	8%	0.075	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-17.5	179	-68.8	-58.1	144.1	0	0	113.8	N354 R364 Y366 L435 K436 A440 Y490	N354-E438 PolarHBondContact ND2-OE1 2.95Å; R364-E438 PolarHBondContact NH1-O 3.4Å; Y366-E438 WeakPolarHBondContact CE2-OE1 3.34Å; Y366-E438 PolarHBondContact OH-OE2 2.78Å; L435-E438 HydrophobicContact CB-CB 3.97Å; L435-E438 HydrophobicContact CB-CG 4.3Å; L435-E438 HydrophobicContact CD1-CB 4.45Å; L435-E438 PolarHBondContact O-N 2.69Å; K436-E438 PolarHBondContact O-N 3.18Å; K436-E438 VanDerWaalsContact O-N 3.14Å; E438-A440 VanDerWaalsContact C-N 3.27Å; E438-A440 HydrophobicContact CB-CB 4.18Å; E438-A440 PolarHBondContact O-N 2.91Å; E438-Y490 HydrophobicContact CB-CE1 4.15Å
439	N	92.7	Very high	88.6	Confident	47 Å²	47	43.9 Å²	43.9	25%	0.251	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	48.2	-169.6	-169.1	31.5	0	0	0	112.1	C491 S515 M516 C517	N439-C491 PolarHBondContact O-N 3.08Å; N439-S515 PolarHBondContact ND2-O 2.99Å; N439-M516 WeakPolarHBondContact OD1-CA 3.14Å; N439-M516 WeakPolarHBondContact OD1-CB 3.21Å; N439-C517 PolarHBondContact OD1-N 3.45Å
440	A	93.1	Very high	89.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.7	-178.4	0	0	0	0	0	110	C434 L435 E438 P480 S489 Y490	C434-A440 CarbonylContact C-O 3.55Å; C434-A440 WeakPolarHBondContact CA-O 3.46Å; L435-A440 WeakPolarHBondContact CB-O 3.47Å; L435-A440 HydrophobicContact CD1-CB 4.36Å; L435-A440 PolarHBondContact N-O 3.19Å; E438-A440 VanDerWaalsContact C-N 3.27Å; E438-A440 HydrophobicContact CB-CB 4.18Å; E438-A440 PolarHBondContact O-N 2.91Å; A440-P480 HydrophobicContact CB-CB 4.29Å; A440-S489 WeakPolarHBondContact CA-O 2.99Å; A440-S489 WeakPolarHBondContact CB-O 3.16Å; A440-Y490 HydrophobicContact CB-CD1 3.62Å; A440-Y490 HydrophobicContact CB-CE1 3.95Å; A440-Y490 HydrophobicContact CB-CG 4.1Å
441	Y	91.1	Very high	91	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	151.1	163.9	59.9	-84.1	0	0	0	110.5	L433 F481 N486 Y488 S489 H509 S542	L433-Y441 CarbonylContact O-C 3.51Å; L433-Y441 VanDerWaalsContact O-CA 3.28Å; L433-Y441 WeakPolarHBondContact O-CA 3.15Å; Y441-F481 AromaticContact CD2-CD2 3.64Å; Y441-F481 HydrophobicContact CD2-CD2 3.64Å; Y441-F481 AromaticContact CD2-CE2 3.8Å; Y441-F481 HydrophobicContact CD2-CE2 3.8Å; Y441-F481 AromaticContact CE2-CD2 3.5Å; Y441-F481 HydrophobicContact CE2-CD2 3.5Å; Y441-F481 AromaticContact CE2-CE2 3.87Å; Y441-F481 HydrophobicContact CE2-CE2 3.87Å; Y441-F481 HydrophobicContact CE2-CG 4.36Å; Y441-N486 PolarHBondContact OH-O 3.28Å; Y441-Y488 PolarHBondContact OH-O 3.04Å; Y441-S489 VanDerWaalsContact CE1-CB 3.43Å; Y441-S489 VanDerWaalsContact CZ-CB 3.43Å; Y441-S489 PolarHBondContact N-O 2.87Å; Y441-S489 WeakPolarHBondContact O-CB 3.31Å; Y441-S489 PolarHBondContact O-OG 3.01Å; Y441-H509 AromaticContact CD1-CE1 3.95Å; Y441-H509 AromaticContact CE1-CE1 3.3Å; Y441-H509 WeakPolarHBondContact CE1-CE1 3.45Å; Y441-H509 AromaticContact CE1-ND1 3.45Å; Y441-H509 WeakPolarHBondContact CE1-ND1 3.38Å; Y441-H509 AromaticContact CZ-CE1 3.41Å; Y441-H509 VanDerWaalsContact CZ-CE1 3.41Å; Y441-H509 AromaticContact CZ-ND1 3.9Å; Y441-S542 WeakPolarHBondContact CB-OG 3.4Å
442	G	90.9	Very high	91.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.6	-177.5	0	0	0	0	0	112.4	T432 L433 V479	T432-G442 CarbonylContact C-O 3.48Å; T432-G442 WeakPolarHBondContact CA-O 3.37Å; T432-G442 WeakPolarHBondContact CB-O 3.3Å; L433-G442 PolarHBondContact N-O 2.99Å; L433-G442 PolarHBondContact O-N 2.02Å; G442-V479 CarbonylContact C-O 3.53Å; G442-V479 WeakPolarHBondContact CA-O 3.32Å
443	F	89.5	Confident	92.3	Very high	28 Å²	28	55.5 Å²	55.5	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.5	-176.8	66.9	-82.5	0	0	0	110	F429 D445 Y478 V479 F481	F429-F443 AromaticContact CD1-CD2 3.38Å; F429-F443 HydrophobicContact CD1-CD2 3.38Å; F429-F443 AromaticContact CD1-CE2 3.52Å; F429-F443 HydrophobicContact CD1-CE2 3.52Å; F429-F443 HydrophobicContact CD1-CG 4.02Å; F429-F443 HydrophobicContact CD1-CZ 4.22Å; F429-F443 AromaticContact CE1-CD2 3.78Å; F429-F443 HydrophobicContact CE1-CD2 3.78Å; F429-F443 AromaticContact CE1-CE2 3.45Å; F429-F443 HydrophobicContact CE1-CE2 3.45Å; F429-F443 VanDerWaalsContact CE1-CE2 3.45Å; F429-F443 HydrophobicContact CE1-CZ 4.18Å; F443-D445 HydrophobicContact CE2-CB 4.12Å; F443-D445 PolarHBondContact O-N 3.22Å; F443-Y478 CarbonylContact O-C 3.56Å; F443-Y478 VanDerWaalsContact O-CA 3.3Å; F443-Y478 WeakPolarHBondContact O-CA 3.41Å; F443-V479 HydrophobicContact CD1-CG2 4.22Å; F443-V479 HydrophobicContact CD2-CG2 4.47Å; F443-V479 HydrophobicContact CE1-CG2 3.69Å; F443-V479 HydrophobicContact CE2-CG2 3.95Å; F443-V479 HydrophobicContact CZ-CG2 3.53Å; F443-V479 PolarHBondContact N-O 3.18Å; F443-V479 PolarHBondContact O-N 3.14Å; F443-F481 HydrophobicContact CB-CE1 4.42Å; F443-F481 HydrophobicContact CB-CE2 3.97Å; F443-F481 HydrophobicContact CB-CZ 3.69Å; F443-F481 AromaticContact CD1-CD1 3.66Å; F443-F481 HydrophobicContact CD1-CD1 3.66Å; F443-F481 AromaticContact CD1-CD2 3.82Å; F443-F481 HydrophobicContact CD1-CD2 3.82Å; F443-F481 AromaticContact CD1-CE1 3.43Å; F443-F481 HydrophobicContact CD1-CE1 3.43Å; F443-F481 VanDerWaalsContact CD1-CE1 3.43Å; F443-F481 AromaticContact CD1-CE2 3.59Å; F443-F481 HydrophobicContact CD1-CE2 3.59Å; F443-F481 AromaticContact CD1-CG 3.85Å; F443-F481 HydrophobicContact CD1-CG 3.85Å; F443-F481 AromaticContact CD1-CZ 3.41Å; F443-F481 HydrophobicContact CD1-CZ 3.41Å; F443-F481 VanDerWaalsContact CD1-CZ 3.41Å; F443-F481 AromaticContact CE1-CD1 3.75Å; F443-F481 HydrophobicContact CE1-CD1 3.75Å; F443-F481 HydrophobicContact CE1-CD2 4.46Å; F443-F481 AromaticContact CE1-CE1 3.88Å; F443-F481 HydrophobicContact CE1-CE1 3.88Å; F443-F481 HydrophobicContact CE1-CG 4.06Å; F443-F481 HydrophobicContact CE1-CZ 4.3Å; F443-F481 HydrophobicContact CG-CE1 4.03Å; F443-F481 HydrophobicContact CG-CE2 4.19Å; F443-F481 AromaticContact CG-CZ 3.78Å; F443-F481 HydrophobicContact CG-CZ 3.78Å
444	C	93.2	Very high	92.5	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.3	173.2	-177.4	0	0	0	0	110.2	C424 Q426 L446 Y478	C424-C444 HydrophobicContact CB-CB 3.59Å; C424-C444 WeakPolarHBondContact CB-SG 3.36Å; C424-C444 WeakPolarHBondContact SG-CA 3.29Å; C424-C444 WeakPolarHBondContact SG-CB 3.31Å; C424-C444 CovalentContact SG-SG 2.01Å; C424-C444 PolarHBondContact SG-SG 3.28Å; Q426-C444 VanDerWaalsContact O-CB 3.28Å; Q426-C444 WeakPolarHBondContact O-CB 3.48Å; Q426-C444 PolarHBondContact O-SG 2.72Å; C444-L446 PolarHBondContact O-N 3.08Å; C444-L446 VanDerWaalsContact O-N 3.08Å; C444-L446 VanDerWaalsContact SG-CB 3.53Å; C444-Y478 HydrophobicContact CB-CD1 4.43Å; C444-Y478 HydrophobicContact CB-CE1 4.17Å
445	D	92.5	Very high	92.7	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.043	28%	0.284	C	S	.	.			trans	-81.1	18.3	-177.4	88.2	-49.5	0	0	0	114.3	F443 R447 S467 A468 D469 R472 P476 A477 V479	F443-D445 HydrophobicContact CE2-CB 4.12Å; F443-D445 PolarHBondContact O-N 3.22Å; D445-R447 PolarHBondContact O-N 2.91Å; D445-S467 VanDerWaalsContact CG-OG 3.26Å; D445-S467 PolarHBondContact OD1-OG 3.29Å; D445-S467 PolarHBondContact OD2-OG 3.22Å; D445-A468 HydrophobicContact CB-CB 4.31Å; D445-A468 WeakPolarHBondContact O-CB 3.27Å; D445-A468 PolarHBondContact O-N 3.1Å; D445-A468 PolarHBondContact OD2-N 3.07Å; D445-D469 PolarHBondContact OD2-N 3.05Å; D445-R472 IonicContact OD1-NH2 2.8Å; D445-R472 PolarHBondContact OD1-NH2 3.06Å; D445-R472 IonicContact OD2-CZ 2.69Å; D445-R472 IonicContact OD2-NH2 3.05Å; D445-R472 PolarHBondContact OD2-NH2 3.39Å; D445-P476 VanDerWaalsContact OD1-CA 3.29Å; D445-P476 WeakPolarHBondContact OD1-CA 3.35Å; D445-A477 PolarHBondContact N-O 3.48Å; D445-A477 VanDerWaalsContact N-O 3.15Å; D445-A477 PolarHBondContact OD1-N 3.3Å; D445-A477 VanDerWaalsContact OD1-O 3.1Å; D445-V479 HydrophobicContact CB-CG1 4.34Å; D445-V479 HydrophobicContact CB-CG2 3.76Å
446	L	94.8	Very high	92.8	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.2	174.7	-178.8	57.9	0	0	0	110.1	I427 C444 F460 L465 P476	I427-L446 HydrophobicContact CG1-CD2 3.66Å; I427-L446 HydrophobicContact CG1-CG 4.03Å; C444-L446 PolarHBondContact O-N 3.08Å; C444-L446 VanDerWaalsContact O-N 3.08Å; C444-L446 VanDerWaalsContact SG-CB 3.53Å; L446-F460 HydrophobicContact CD1-CD2 4.2Å; L446-F460 HydrophobicContact CD1-CE2 3.65Å; L446-F460 HydrophobicContact CD1-CZ 4Å; L446-F460 HydrophobicContact CD2-CE1 4.21Å; L446-F460 HydrophobicContact CD2-CE2 4.47Å; L446-F460 HydrophobicContact CD2-CZ 4.04Å; L446-L465 HydrophobicContact CD1-CB 4Å; L446-L465 HydrophobicContact CD1-CD2 4.48Å; L446-P476 HydrophobicContact CB-CB 3.9Å; L446-P476 HydrophobicContact CD1-CB 4.07Å; L446-P476 HydrophobicContact CD1-CG 4.08Å
447	R	92.6	Very high	93.4	Very high	111 Å²	111	57.4 Å²	57.4	42%	0.419	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	163.1	179.4	72	169.5	-177.8	-165.2	-9.3	112.6	D445 Y449 G466 A468	D445-R447 PolarHBondContact O-N 2.91Å; R447-Y449 HydrophobicContact CG-CD2 4.05Å; R447-Y449 HydrophobicContact CG-CE2 3.65Å; R447-Y449 PolarHBondContact NE-OH 3.05Å; R447-Y449 VanDerWaalsContact NE-OH 3.13Å; R447-Y449 PolarHBondContact NH2-OH 2.68Å; R447-G466 PolarHBondContact N-O 2.88Å; R447-G466 PolarHBondContact O-N 2.8Å; R447-A468 HydrophobicContact CG-CB 4.31Å; R447-A468 PolarHBondContact NH2-O 2.8Å
448	H	94.3	Very high	94.1	Very high	100 Å²	100	51.6 Å²	51.6	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.3	173.6	-162.7	-86.6	0	0	0	110.8	D462 R464 L465	H448-D462 IonicContact CD2-OD2 2.73Å; H448-D462 IonicContact NE2-OD2 3.08Å; H448-D462 PolarHBondContact NE2-OD2 3.45Å; H448-D462 VanDerWaalsContact NE2-OD2 3.12Å; H448-R464 PolarHBondContact CE1-NE 3.43Å; H448-R464 VanDerWaalsContact CE1-NE 3.34Å; H448-R464 VanDerWaalsContact NE2-CZ 3.26Å; H448-R464 PolarHBondContact NE2-NE 2.91Å; H448-R464 PolarHBondContact NE2-NH2 2.9Å; H448-L465 HydrophobicContact CB-CD2 4.37Å
449	Y	94.8	Very high	94.5	Very high	34 Å²	34	51.1 Å²	51.1	13%	0.133	25%	0.245	C	C	.	.			trans	-90.7	149.1	177.5	-75.7	-100	0	0	0	111.7	R447 R451 L453 R464 S467 Y474	R447-Y449 HydrophobicContact CG-CD2 4.05Å; R447-Y449 HydrophobicContact CG-CE2 3.65Å; R447-Y449 PolarHBondContact NE-OH 3.05Å; R447-Y449 VanDerWaalsContact NE-OH 3.13Å; R447-Y449 PolarHBondContact NH2-OH 2.68Å; Y449-R451 WeakPolarHBondContact CB-O 3.5Å; Y449-R451 PolarHBondContact O-N 2.87Å; Y449-L453 HydrophobicContact CD1-CD2 4.07Å; Y449-L453 HydrophobicContact CD2-CD1 4.41Å; Y449-L453 HydrophobicContact CD2-CD2 3.94Å; Y449-L453 HydrophobicContact CD2-CG 4.39Å; Y449-L453 HydrophobicContact CE1-CD2 4.17Å; Y449-L453 HydrophobicContact CE2-CD1 4.41Å; Y449-L453 HydrophobicContact CE2-CD2 4.06Å; Y449-L453 HydrophobicContact CG-CD2 3.95Å; Y449-R464 WeakPolarHBondContact CB-O 3.04Å; Y449-R464 WeakPolarHBondContact CD2-O 3.21Å; Y449-R464 PolarHBondContact N-O 2.79Å; Y449-R464 WeakPolarHBondContact O-CB 3.13Å; Y449-S467 WeakPolarHBondContact CE2-O 3.35Å; Y449-S467 PolarHBondContact OH-O 2.76Å; Y449-Y474 HydrophobicContact CE1-CD1 4.48Å; Y449-Y474 AromaticContact CE1-CE1 3.9Å; Y449-Y474 HydrophobicContact CE1-CE1 3.9Å; Y449-Y474 HydrophobicContact CE2-CD1 4.09Å; Y449-Y474 HydrophobicContact CE2-CE1 4.32Å; Y449-Y474 AromaticContact CZ-CD1 3.7Å; Y449-Y474 AromaticContact CZ-CE1 3.55Å; Y449-Y474 WeakPolarHBondContact OH-CD1 3.5Å; Y449-Y474 VanDerWaalsContact OH-CE1 3.24Å; Y449-Y474 WeakPolarHBondContact OH-CE1 3.5Å
450	L	96	Very high	94.7	Very high	177 Å²	177	50.1 Å²	50.1	93%	0.927	24%	0.238	S	C	*	.	S	Bend	trans	-64.6	-29.8	176	-64.7	176.8	0	0	0	113
451	R	97	Very high	94.7	Very high	205 Å²	205	56.7 Å²	56.7	77%	0.774	27%	0.269	S	S	*	.	S	Bend	trans	-124.5	150.2	-179.8	-64.6	-176.5	-177.2	179	0.4	109.9	Y449	Y449-R451 WeakPolarHBondContact CB-O 3.5Å; Y449-R451 PolarHBondContact O-N 2.87Å
452	P	97.4	Very high	94.9	Very high	84 Å²	84	58.6 Å²	58.6	55%	0.545	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-51.9	141.2	171.1	-27.3	36.2	0	0	0	111.9	P463 R464	P452-P463 WeakPolarHBondContact CA-O 3.07Å; P452-P463 HydrophobicContact CB-CB 4.17Å; P452-P463 HydrophobicContact CB-CG 4.38Å; P452-R464 HydrophobicContact CG-CG 4.4Å
453	L	96.6	Very high	95.2	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.052	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-71.3	159.4	171.4	-63.1	178.4	0	0	0	110.5	Y449 F457 Q458 P463 L465 Y474	Y449-L453 HydrophobicContact CD1-CD2 4.07Å; Y449-L453 HydrophobicContact CD2-CD1 4.41Å; Y449-L453 HydrophobicContact CD2-CD2 3.94Å; Y449-L453 HydrophobicContact CD2-CG 4.39Å; Y449-L453 HydrophobicContact CE1-CD2 4.17Å; Y449-L453 HydrophobicContact CE2-CD1 4.41Å; Y449-L453 HydrophobicContact CE2-CD2 4.06Å; Y449-L453 HydrophobicContact CG-CD2 3.95Å; L453-F457 HydrophobicContact CB-CB 4.38Å; L453-Q458 HydrophobicContact CB-CG 4.25Å; L453-Q458 PolarHBondContact O-NE2 2.9Å; L453-P463 PolarHBondContact N-O 3.34Å; L453-L465 WeakPolarHBondContact CD1-O 3.36Å; L453-Y474 HydrophobicContact CD1-CD1 3.91Å; L453-Y474 HydrophobicContact CD1-CG 4.08Å; L453-Y474 HydrophobicContact CD2-CD1 3.65Å; L453-Y474 HydrophobicContact CD2-CE1 3.52Å; L453-Y474 HydrophobicContact CD2-CG 4.3Å; L453-Y474 HydrophobicContact CG-CD1 4.44Å
454	P	95.4	Very high	95.6	Very high	58 Å²	58	63.6 Å²	63.6	38%	0.377	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-51.4	146.1	167.3	-25.8	35.4	0	0	0	111.7	E456 F457 Q458	P454-E456 VanDerWaalsContact CB-CD 3.45Å; P454-E456 HydrophobicContact CB-CG 4.32Å; P454-E456 VanDerWaalsContact CB-OE2 3.31Å; P454-E456 WeakPolarHBondContact CB-OE2 3.39Å; P454-E456 PolarHBondContact O-N 3.41Å; P454-E456 VanDerWaalsContact O-N 3.15Å; P454-F457 HydrophobicContact CB-CD2 3.9Å; P454-F457 HydrophobicContact CG-CD2 3.93Å; P454-F457 HydrophobicContact CG-CE2 4.48Å; P454-F457 WeakPolarHBondContact O-CA 3.43Å; P454-F457 PolarHBondContact O-N 3.48Å; P454-Q458 WeakPolarHBondContact O-CG 3.14Å; P454-Q458 PolarHBondContact O-N 3.04Å
455	L	96.5	Very high	95.7	Very high	96 Å²	96	64.3 Å²	64.3	50%	0.503	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-54.7	-39.3	-170.7	-70.1	173.2	0	0	0	112.5	S300 K302 T303 F457 Q458	S300-L455 VanDerWaalsContact CB-O 3.31Å; S300-L455 WeakPolarHBondContact CB-O 3.43Å; S300-L455 PolarHBondContact OG-O 3.24Å; S300-L455 VanDerWaalsContact OG-O 3.05Å; K302-L455 HydrophobicContact CB-CD2 4.22Å; T303-L455 HydrophobicContact CG2-CB 3.87Å; L455-F457 PolarHBondContact O-N 2.89Å; L455-Q458 PolarHBondContact O-N 3.01Å
456	E	95.2	Very high	95.9	Very high	60 Å²	60	64 Å²	64	28%	0.28	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64.1	-17.5	178	64	-90.1	-147.4	0	0	114.5	W298 I305 P454 Y459	W298-E456 PolarHBondContact NE1-O 2.97Å; I305-E456 HydrophobicContact CD1-CB 3.6Å; I305-E456 HydrophobicContact CD1-CG 4.44Å; I305-E456 HydrophobicContact CG1-CB 4.36Å; P454-E456 VanDerWaalsContact CB-CD 3.45Å; P454-E456 HydrophobicContact CB-CG 4.32Å; P454-E456 VanDerWaalsContact CB-OE2 3.31Å; P454-E456 WeakPolarHBondContact CB-OE2 3.39Å; P454-E456 PolarHBondContact O-N 3.41Å; P454-E456 VanDerWaalsContact O-N 3.15Å; E456-Y459 WeakPolarHBondContact O-CE1 3.29Å
457	F	96.4	Very high	95.9	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.079	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-112.2	6.9	-178.9	-58.2	-42.3	0	0	0	113.1	L453 P454 L455 Y459 D473 Y474	L453-F457 HydrophobicContact CB-CB 4.38Å; P454-F457 HydrophobicContact CB-CD2 3.9Å; P454-F457 HydrophobicContact CG-CD2 3.93Å; P454-F457 HydrophobicContact CG-CE2 4.48Å; P454-F457 WeakPolarHBondContact O-CA 3.43Å; P454-F457 PolarHBondContact O-N 3.48Å; L455-F457 PolarHBondContact O-N 2.89Å; F457-Y459 WeakPolarHBondContact CD1-OH 3.43Å; F457-Y459 PolarHBondContact O-N 2.62Å; F457-D473 HydrophobicContact CD1-CB 4.16Å; F457-D473 WeakPolarHBondContact CD1-O 3.3Å; F457-D473 HydrophobicContact CE1-CB 3.74Å; F457-Y474 HydrophobicContact CB-CD2 3.82Å; F457-Y474 HydrophobicContact CB-CG 4.26Å; F457-Y474 HydrophobicContact CD1-CD2 4.31Å; F457-Y474 AromaticContact CD2-CD2 3.56Å; F457-Y474 HydrophobicContact CD2-CD2 3.56Å; F457-Y474 AromaticContact CD2-CE2 3.72Å; F457-Y474 HydrophobicContact CD2-CE2 3.72Å; F457-Y474 HydrophobicContact CE2-CD2 4.16Å; F457-Y474 HydrophobicContact CE2-CE2 4.11Å; F457-Y474 AromaticContact CG-CD2 3.64Å; F457-Y474 HydrophobicContact CG-CD2 3.64Å; F457-Y474 HydrophobicContact CG-CE2 4.29Å
458	Q	97.1	Very high	95.8	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.07	30%	0.299	C	S	.	.			trans	-84.8	88.7	175.9	-66.9	179.7	18.7	0	0	110.4	S300 A301 K302 L453 P454 L455 P463	S300-Q458 WeakPolarHBondContact CB-O 3.49Å; A301-Q458 VanDerWaalsContact CB-O 3.26Å; A301-Q458 WeakPolarHBondContact CB-O 3.25Å; A301-Q458 PolarHBondContact N-O 3.05Å; K302-Q458 HydrophobicContact CG-CB 4.29Å; L453-Q458 HydrophobicContact CB-CG 4.25Å; L453-Q458 PolarHBondContact O-NE2 2.9Å; P454-Q458 WeakPolarHBondContact O-CG 3.14Å; P454-Q458 PolarHBondContact O-N 3.04Å; L455-Q458 PolarHBondContact O-N 3.01Å; Q458-P463 VanDerWaalsContact CD-CB 3.42Å; Q458-P463 HydrophobicContact CG-CB 4.03Å
459	Y	97.2	Very high	95.6	Very high	6 Å²	6	56.6 Å²	56.6	2%	0.024	28%	0.283	C	S	.	.			trans	-91.3	1.4	-177.2	-50.5	-49.3	0	0	0	114.4	C406 Y407 E456 F457 D473 C475	C406-Y459 VanDerWaalsContact SG-CD2 3.55Å; C406-Y459 WeakPolarHBondContact SG-CE2 3.23Å; C406-Y459 VanDerWaalsContact SG-CZ 3.51Å; Y407-Y459 WeakPolarHBondContact CD2-O 3.32Å; Y407-Y459 WeakPolarHBondContact CE2-O 2.82Å; Y407-Y459 HydrophobicContact CG-CD1 4.46Å; E456-Y459 WeakPolarHBondContact O-CE1 3.29Å; F457-Y459 WeakPolarHBondContact CD1-OH 3.43Å; F457-Y459 PolarHBondContact O-N 2.62Å; Y459-D473 WeakPolarHBondContact CE2-O 3.26Å; Y459-D473 PolarHBondContact OH-O 2.84Å; Y459-C475 HydrophobicContact CE2-CB 4.38Å; Y459-C475 VanDerWaalsContact CE2-SG 3.58Å
460	F	96.4	Very high	95.4	Very high	26 Å²	26	60.3 Å²	60.3	11%	0.114	30%	0.296	C	S	.	.	S	Bend	trans	-134	164.8	-177.2	-59	-85.6	0	0	0	110.1	D425 L446 D462 L465 P476	D425-F460 HydrophobicContact CB-CE1 3.87Å; L446-F460 HydrophobicContact CD1-CD2 4.2Å; L446-F460 HydrophobicContact CD1-CE2 3.65Å; L446-F460 HydrophobicContact CD1-CZ 4Å; L446-F460 HydrophobicContact CD2-CE1 4.21Å; L446-F460 HydrophobicContact CD2-CE2 4.47Å; L446-F460 HydrophobicContact CD2-CZ 4.04Å; F460-D462 VanDerWaalsContact C-N 3.35Å; F460-D462 PolarHBondContact O-N 2.84Å; F460-L465 HydrophobicContact CB-CB 3.98Å; F460-L465 HydrophobicContact CB-CD1 4.08Å; F460-L465 HydrophobicContact CD2-CB 3.77Å; F460-L465 HydrophobicContact CG-CB 4.01Å; F460-L465 HydrophobicContact CG-CD1 4.31Å; F460-P476 HydrophobicContact CE2-CG 3.72Å; F460-P476 HydrophobicContact CZ-CG 3.58Å
461	E	94	Very high	95.1	Very high	139 Å²	139	52.8 Å²	52.8	65%	0.65	26%	0.256	S	S	*	.	S	Bend	trans	-63.8	-39.8	177.7	-69.9	-55.4	155.1	0	0	112.7	K302 P463	K302-E461 PolarHBondContact NZ-O 2.88Å; K302-E461 IonicContact NZ-OE2 3.29Å; K302-E461 PolarHBondContact NZ-OE2 3.27Å; E461-P463 WeakPolarHBondContact O-CD 3.44Å
462	D	95.9	Very high	94.9	Very high	44 Å²	44	43.2 Å²	43.2	24%	0.235	22%	0.22	C	C	.	.	S	Bend	trans	-75.2	114.7	167.6	-173.8	-19.9	0	0	0	108.7	H448 F460 R464 L465	H448-D462 IonicContact CD2-OD2 2.73Å; H448-D462 IonicContact NE2-OD2 3.08Å; H448-D462 PolarHBondContact NE2-OD2 3.45Å; H448-D462 VanDerWaalsContact NE2-OD2 3.12Å; F460-D462 VanDerWaalsContact C-N 3.35Å; F460-D462 PolarHBondContact O-N 2.84Å; D462-R464 PolarHBondContact O-N 2.98Å; D462-R464 VanDerWaalsContact OD1-CB 3.29Å; D462-R464 WeakPolarHBondContact OD1-CB 3.46Å; D462-R464 IonicContact OD1-CZ 3.18Å; D462-R464 PolarHBondContact OD1-N 3.16Å; D462-R464 IonicContact OD1-NE 3.6Å; D462-R464 PolarHBondContact OD1-NE 2.98Å; D462-R464 IonicContact OD1-NH2 3.51Å; D462-R464 IonicContact OD2-CZ 3.82Å; D462-R464 IonicContact OD2-NE 3.79Å; D462-R464 IonicContact OD2-NH2 3.76Å; D462-R464 PolarHBondContact OD2-NH2 2.49Å; D462-L465 HydrophobicContact CB-CD1 3.91Å; D462-L465 HydrophobicContact CB-CG 3.98Å; D462-L465 PolarHBondContact O-N 3.16Å; D462-L465 VanDerWaalsContact O-N 3.14Å
463	P	96.9	Very high	94.8	Very high	38 Å²	38	39.2 Å²	39.2	25%	0.247	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.2	-175.9	32.6	-39.7	0	0	0	113.6	P452 L453 Q458 E461	P452-P463 WeakPolarHBondContact CA-O 3.07Å; P452-P463 HydrophobicContact CB-CB 4.17Å; P452-P463 HydrophobicContact CB-CG 4.38Å; L453-P463 PolarHBondContact N-O 3.34Å; Q458-P463 VanDerWaalsContact CD-CB 3.42Å; Q458-P463 HydrophobicContact CG-CB 4.03Å; E461-P463 WeakPolarHBondContact O-CD 3.44Å
464	R	97.1	Very high	94.7	Very high	96 Å²	96	40.3 Å²	40.3	36%	0.362	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.8	177.5	-62.1	168.9	-63.7	174.7	7.7	112.9	H448 Y449 P452 D462	H448-R464 PolarHBondContact CE1-NE 3.43Å; H448-R464 VanDerWaalsContact CE1-NE 3.34Å; H448-R464 VanDerWaalsContact NE2-CZ 3.26Å; H448-R464 PolarHBondContact NE2-NE 2.91Å; H448-R464 PolarHBondContact NE2-NH2 2.9Å; Y449-R464 WeakPolarHBondContact CB-O 3.04Å; Y449-R464 WeakPolarHBondContact CD2-O 3.21Å; Y449-R464 PolarHBondContact N-O 2.79Å; Y449-R464 WeakPolarHBondContact O-CB 3.13Å; P452-R464 HydrophobicContact CG-CG 4.4Å; D462-R464 PolarHBondContact O-N 2.98Å; D462-R464 VanDerWaalsContact OD1-CB 3.29Å; D462-R464 WeakPolarHBondContact OD1-CB 3.46Å; D462-R464 IonicContact OD1-CZ 3.18Å; D462-R464 PolarHBondContact OD1-N 3.16Å; D462-R464 IonicContact OD1-NE 3.6Å; D462-R464 PolarHBondContact OD1-NE 2.98Å; D462-R464 IonicContact OD1-NH2 3.51Å; D462-R464 IonicContact OD2-CZ 3.82Å; D462-R464 IonicContact OD2-NE 3.79Å; D462-R464 IonicContact OD2-NH2 3.76Å; D462-R464 PolarHBondContact OD2-NH2 2.49Å
465	L	96.7	Very high	94.8	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.094	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.6	177.7	-69.1	176.7	0	0	0	111.4	I427 L446 H448 L453 F460 D462	I427-L465 HydrophobicContact CD1-CD1 3.93Å; I427-L465 HydrophobicContact CD1-CD2 3.58Å; I427-L465 HydrophobicContact CD1-CG 4.43Å; I427-L465 HydrophobicContact CG1-CD2 4.24Å; L446-L465 HydrophobicContact CD1-CB 4Å; L446-L465 HydrophobicContact CD1-CD2 4.48Å; H448-L465 HydrophobicContact CB-CD2 4.37Å; L453-L465 WeakPolarHBondContact CD1-O 3.36Å; F460-L465 HydrophobicContact CB-CB 3.98Å; F460-L465 HydrophobicContact CB-CD1 4.08Å; F460-L465 HydrophobicContact CD2-CB 3.77Å; F460-L465 HydrophobicContact CG-CB 4.01Å; F460-L465 HydrophobicContact CG-CD1 4.31Å; D462-L465 HydrophobicContact CB-CD1 3.91Å; D462-L465 HydrophobicContact CB-CG 3.98Å; D462-L465 PolarHBondContact O-N 3.16Å; D462-L465 VanDerWaalsContact O-N 3.14Å
466	G	96.3	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	174.7	169.5	0	0	0	0	0	111.5	R447	R447-G466 PolarHBondContact N-O 2.88Å; R447-G466 PolarHBondContact O-N 2.8Å
467	S	94.4	Very high	94.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	147.9	175.8	-172.2	0	0	0	0	111.9	D445 Y449 D469 R472 Y474 C475	D445-S467 VanDerWaalsContact CG-OG 3.26Å; D445-S467 PolarHBondContact OD1-OG 3.29Å; D445-S467 PolarHBondContact OD2-OG 3.22Å; Y449-S467 WeakPolarHBondContact CE2-O 3.35Å; Y449-S467 PolarHBondContact OH-O 2.76Å; S467-D469 PolarHBondContact OG-N 3.31Å; S467-D469 PolarHBondContact OG-O 3.47Å; S467-R472 PolarHBondContact OG-NH2 3.19Å; S467-Y474 WeakPolarHBondContact CB-O 3.26Å; S467-Y474 PolarHBondContact N-O 2.88Å; S467-C475 WeakPolarHBondContact CB-O 3.18Å; S467-C475 PolarHBondContact OG-O 2.64Å
468	A	90.1	Very high	94.7	Very high	43 Å²	43	31 Å²	31	36%	0.355	15%	0.146	S	C	.	.	S	Bend	trans	-64.9	-32.1	167.7	0	0	0	0	0	111.9	D445 R447	D445-A468 HydrophobicContact CB-CB 4.31Å; D445-A468 WeakPolarHBondContact O-CB 3.27Å; D445-A468 PolarHBondContact O-N 3.1Å; D445-A468 PolarHBondContact OD2-N 3.07Å; R447-A468 HydrophobicContact CG-CB 4.31Å; R447-A468 PolarHBondContact NH2-O 2.8Å
469	D	90	Very high	94.4	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.112	15%	0.149	C	C	.	.			trans	-87.4	109.4	175	-170.1	-7.6	0	0	0	112	K349 D445 S467 F471 R472	K349-D469 WeakPolarHBondContact CD-OD2 3.44Å; K349-D469 WeakPolarHBondContact CE-OD2 3.22Å; D445-D469 PolarHBondContact OD2-N 3.05Å; S467-D469 PolarHBondContact OG-N 3.31Å; S467-D469 PolarHBondContact OG-O 3.47Å; D469-F471 VanDerWaalsContact C-N 3.29Å; D469-F471 PolarHBondContact O-N 3.46Å; D469-F471 WeakPolarHBondContact OD1-CB 3.2Å; D469-F471 PolarHBondContact OD1-N 3.45Å; D469-R472 PolarHBondContact O-N 2.51Å
470	R	90.3	Very high	94.1	Very high	113 Å²	113	32 Å²	32	43%	0.426	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-69.4	-24.6	177.3	66	175	-68.3	-168.1	-6.2	113.5	R472 D473 Y474	R470-R472 PolarHBondContact O-N 3.26Å; R470-D473 PolarHBondContact O-N 2.94Å; R470-Y474 HydrophobicContact CB-CE1 3.97Å; R470-Y474 HydrophobicContact CB-CE2 4.24Å
471	F	90.5	Very high	93.6	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.079	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-75.3	-10.6	-177.7	-66.2	-77.7	0	0	0	112.7	V36 N338 K349 P359 L360 D469 D473	V36-F471 HydrophobicContact CG1-CZ 4.5Å; V36-F471 HydrophobicContact CG2-CE2 4.28Å; V36-F471 HydrophobicContact CG2-CZ 4.34Å; N338-F471 HydrophobicContact CB-CD1 3.98Å; N338-F471 HydrophobicContact CB-CE1 4.16Å; K349-F471 HydrophobicContact CB-CB 4.28Å; K349-F471 WeakPolarHBondContact CB-O 3.25Å; K349-F471 HydrophobicContact CD-CB 3.98Å; P359-F471 HydrophobicContact CB-CD1 3.72Å; P359-F471 HydrophobicContact CB-CE1 3.85Å; P359-F471 HydrophobicContact CB-CG 4.32Å; P359-F471 HydrophobicContact CG-CB 3.87Å; P359-F471 HydrophobicContact CG-CD1 3.4Å; P359-F471 VanDerWaalsContact CG-CD1 3.4Å; P359-F471 HydrophobicContact CG-CE1 4.08Å; P359-F471 HydrophobicContact CG-CG 3.76Å; L360-F471 HydrophobicContact CB-CD2 3.62Å; L360-F471 HydrophobicContact CB-CE2 4.04Å; L360-F471 HydrophobicContact CB-CG 4.23Å; L360-F471 HydrophobicContact CD2-CD2 3.88Å; L360-F471 HydrophobicContact CD2-CE2 4.37Å; L360-F471 HydrophobicContact CG-CD2 4.35Å; D469-F471 VanDerWaalsContact C-N 3.29Å; D469-F471 PolarHBondContact O-N 3.46Å; D469-F471 WeakPolarHBondContact OD1-CB 3.2Å; D469-F471 PolarHBondContact OD1-N 3.45Å; F471-D473 PolarHBondContact O-N 2.82Å
472	R	93.5	Very high	92.8	Very high	4 Å²	4	28 Å²	28	2%	0.015	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-87.9	27	166.4	-72	-162.8	-61.1	-114.9	-1.5	113	K349 D353 D445 S467 D469 R470 Y474 C475 V479	K349-R472 HydrophobicContact CB-CG 4.42Å; K349-R472 HydrophobicContact CD-CG 4.22Å; K349-R472 HydrophobicContact CG-CG 3.98Å; D353-R472 WeakPolarHBondContact OD1-CD 3.44Å; D353-R472 IonicContact OD1-CZ 2.67Å; D353-R472 IonicContact OD1-NE 2.91Å; D353-R472 IonicContact OD1-NH1 2.76Å; D353-R472 PolarHBondContact OD1-NH1 3.47Å; D445-R472 IonicContact OD1-NH2 2.8Å; D445-R472 PolarHBondContact OD1-NH2 3.06Å; D445-R472 IonicContact OD2-CZ 2.69Å; D445-R472 IonicContact OD2-NH2 3.05Å; D445-R472 PolarHBondContact OD2-NH2 3.39Å; S467-R472 PolarHBondContact OG-NH2 3.19Å; D469-R472 PolarHBondContact O-N 2.51Å; R470-R472 PolarHBondContact O-N 3.26Å; R472-Y474 PolarHBondContact O-N 2.93Å; R472-Y474 VanDerWaalsContact O-N 3.14Å; R472-C475 PolarHBondContact NE-O 2.91Å; R472-C475 WeakPolarHBondContact O-CB 3.04Å; R472-C475 PolarHBondContact O-N 2.66Å; R472-V479 VanDerWaalsContact NH1-CG1 3.29Å
473	D	94.4	Very high	91.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.2	-172.7	-71.3	-43.8	0	0	0	112.2	W298 R307 R350 F457 Y459 R470 F471 C475	W298-D473 HydrophobicContact CZ2-CB 4.31Å; R307-D473 IonicContact CZ-OD1 2.71Å; R307-D473 IonicContact CZ-OD2 2.97Å; R307-D473 IonicContact NH1-OD1 2.8Å; R307-D473 PolarHBondContact NH1-OD1 3.49Å; R307-D473 IonicContact NH1-OD2 3.94Å; R307-D473 PolarHBondContact NH1-OD2 2.83Å; R307-D473 IonicContact NH2-OD1 2.71Å; R307-D473 PolarHBondContact NH2-OD1 2.62Å; R307-D473 IonicContact NH2-OD2 3.74Å; R350-D473 WeakPolarHBondContact CD-OD2 3.39Å; R350-D473 IonicContact NE-OD2 2.71Å; R350-D473 PolarHBondContact NE-OD2 3.24Å; F457-D473 HydrophobicContact CD1-CB 4.16Å; F457-D473 WeakPolarHBondContact CD1-O 3.3Å; F457-D473 HydrophobicContact CE1-CB 3.74Å; Y459-D473 WeakPolarHBondContact CE2-O 3.26Å; Y459-D473 PolarHBondContact OH-O 2.84Å; R470-D473 PolarHBondContact O-N 2.94Å; F471-D473 PolarHBondContact O-N 2.82Å; D473-C475 PolarHBondContact O-N 3.15Å; D473-C475 VanDerWaalsContact O-N 3.13Å
474	Y	95.3	Very high	89.5	Confident	33 Å²	33	28.9 Å²	28.9	13%	0.129	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	14	-174.2	-58.3	-91.2	0	0	0	115.8	Y449 L453 F457 S467 R470 R472 P476	Y449-Y474 HydrophobicContact CE1-CD1 4.48Å; Y449-Y474 AromaticContact CE1-CE1 3.9Å; Y449-Y474 HydrophobicContact CE1-CE1 3.9Å; Y449-Y474 HydrophobicContact CE2-CD1 4.09Å; Y449-Y474 HydrophobicContact CE2-CE1 4.32Å; Y449-Y474 AromaticContact CZ-CD1 3.7Å; Y449-Y474 AromaticContact CZ-CE1 3.55Å; Y449-Y474 WeakPolarHBondContact OH-CD1 3.5Å; Y449-Y474 VanDerWaalsContact OH-CE1 3.24Å; Y449-Y474 WeakPolarHBondContact OH-CE1 3.5Å; L453-Y474 HydrophobicContact CD1-CD1 3.91Å; L453-Y474 HydrophobicContact CD1-CG 4.08Å; L453-Y474 HydrophobicContact CD2-CD1 3.65Å; L453-Y474 HydrophobicContact CD2-CE1 3.52Å; L453-Y474 HydrophobicContact CD2-CG 4.3Å; L453-Y474 HydrophobicContact CG-CD1 4.44Å; F457-Y474 HydrophobicContact CB-CD2 3.82Å; F457-Y474 HydrophobicContact CB-CG 4.26Å; F457-Y474 HydrophobicContact CD1-CD2 4.31Å; F457-Y474 AromaticContact CD2-CD2 3.56Å; F457-Y474 HydrophobicContact CD2-CD2 3.56Å; F457-Y474 AromaticContact CD2-CE2 3.72Å; F457-Y474 HydrophobicContact CD2-CE2 3.72Å; F457-Y474 HydrophobicContact CE2-CD2 4.16Å; F457-Y474 HydrophobicContact CE2-CE2 4.11Å; F457-Y474 AromaticContact CG-CD2 3.64Å; F457-Y474 HydrophobicContact CG-CD2 3.64Å; F457-Y474 HydrophobicContact CG-CE2 4.29Å; S467-Y474 WeakPolarHBondContact CB-O 3.26Å; S467-Y474 PolarHBondContact N-O 2.88Å; R470-Y474 HydrophobicContact CB-CE1 3.97Å; R470-Y474 HydrophobicContact CB-CE2 4.24Å; R472-Y474 PolarHBondContact O-N 2.93Å; R472-Y474 VanDerWaalsContact O-N 3.14Å; Y474-P476 WeakPolarHBondContact O-CD 3.38Å
475	C	97.2	Very high	87.6	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.			trans	-74.6	111.2	176.5	-69.1	0	0	0	0	111.1	R350 C406 Y423 Y459 S467 R472 D473	R350-C475 HydrophobicContact CG-CB 4.48Å; C406-C475 HydrophobicContact CB-CB 3.56Å; C406-C475 WeakPolarHBondContact CB-SG 3.3Å; C406-C475 VanDerWaalsContact SG-CA 3.5Å; C406-C475 WeakPolarHBondContact SG-CB 3.43Å; C406-C475 CovalentContact SG-SG 2.03Å; C406-C475 PolarHBondContact SG-SG 3.41Å; Y423-C475 HydrophobicContact CD1-CB 3.96Å; Y423-C475 HydrophobicContact CE1-CB 3.48Å; Y423-C475 VanDerWaalsContact CE1-CB 3.48Å; Y459-C475 HydrophobicContact CE2-CB 4.38Å; Y459-C475 VanDerWaalsContact CE2-SG 3.58Å; S467-C475 WeakPolarHBondContact CB-O 3.18Å; S467-C475 PolarHBondContact OG-O 2.64Å; R472-C475 PolarHBondContact NE-O 2.91Å; R472-C475 WeakPolarHBondContact O-CB 3.04Å; R472-C475 PolarHBondContact O-N 2.66Å; D473-C475 PolarHBondContact O-N 3.15Å; D473-C475 VanDerWaalsContact O-N 3.13Å
476	P	96.2	Very high	85.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.			trans	-71.7	135.8	-176.4	28.5	-34.2	0	0	0	111.2	Y423 C424 D445 L446 F460 Y474	Y423-P476 CarbonylContact C-O 3.47Å; Y423-P476 WeakPolarHBondContact CA-O 3.47Å; Y423-P476 WeakPolarHBondContact CB-O 3.33Å; Y423-P476 WeakPolarHBondContact CD1-O 3.47Å; C424-P476 PolarHBondContact N-O 3.18Å; C424-P476 VanDerWaalsContact O-CG 3.23Å; C424-P476 WeakPolarHBondContact O-CG 3.41Å; C424-P476 VanDerWaalsContact SG-C 3.59Å; D445-P476 VanDerWaalsContact OD1-CA 3.29Å; D445-P476 WeakPolarHBondContact OD1-CA 3.35Å; L446-P476 HydrophobicContact CB-CB 3.9Å; L446-P476 HydrophobicContact CD1-CB 4.07Å; L446-P476 HydrophobicContact CD1-CG 4.08Å; F460-P476 HydrophobicContact CE2-CG 3.72Å; F460-P476 HydrophobicContact CZ-CG 3.58Å; Y474-P476 WeakPolarHBondContact O-CD 3.38Å
477	A	95.1	Very high	84.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-138.4	161.1	-178.2	0	0	0	0	0	111.5	Y393 P422 Y423 C424 D445 V479	Y393-A477 HydrophobicContact CE2-CB 4.12Å; P422-A477 VanDerWaalsContact O-CA 3.28Å; P422-A477 WeakPolarHBondContact O-CA 3.46Å; P422-A477 WeakPolarHBondContact O-CB 3.45Å; Y423-A477 HydrophobicContact CD1-CB 4.4Å; C424-A477 PolarHBondContact SG-N 3.23Å; D445-A477 PolarHBondContact N-O 3.48Å; D445-A477 VanDerWaalsContact N-O 3.15Å; D445-A477 PolarHBondContact OD1-N 3.3Å; D445-A477 VanDerWaalsContact OD1-O 3.1Å; A477-V479 PolarHBondContact O-N 2.98Å
478	Y	93.7	Very high	83.9	Confident	37 Å²	37	28.4 Å²	28.4	15%	0.145	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.1	170.4	-71.3	-79	0	0	0	110.4	Y421 P422 C424 L433 L435 F443 C444	Y421-Y478 AromaticContact CD2-CD2 3.96Å; Y421-Y478 HydrophobicContact CD2-CD2 3.96Å; Y421-Y478 HydrophobicContact CE2-CD2 4.24Å; P422-Y478 PolarHBondContact O-N 2.03Å; C424-Y478 HydrophobicContact CB-CD2 3.76Å; C424-Y478 HydrophobicContact CB-CE1 4.24Å; C424-Y478 HydrophobicContact CB-CE2 3.43Å; C424-Y478 VanDerWaalsContact CB-CE2 3.43Å; C424-Y478 HydrophobicContact CB-CG 4.29Å; L433-Y478 HydrophobicContact CD1-CD1 4.24Å; L433-Y478 HydrophobicContact CD1-CG 4.21Å; L433-Y478 HydrophobicContact CD2-CD1 3.86Å; L433-Y478 HydrophobicContact CD2-CD2 4.1Å; L433-Y478 HydrophobicContact CD2-CE1 3.49Å; L433-Y478 VanDerWaalsContact CD2-CE1 3.49Å; L433-Y478 HydrophobicContact CD2-CE2 3.75Å; L433-Y478 HydrophobicContact CD2-CG 4.15Å; L433-Y478 VanDerWaalsContact CD2-CZ 3.43Å; L433-Y478 HydrophobicContact CG-CD1 3.85Å; L433-Y478 HydrophobicContact CG-CE1 3.87Å; L433-Y478 HydrophobicContact CG-CG 4.27Å; L435-Y478 VanDerWaalsContact CD2-CB 3.48Å; F443-Y478 CarbonylContact O-C 3.56Å; F443-Y478 VanDerWaalsContact O-CA 3.3Å; F443-Y478 WeakPolarHBondContact O-CA 3.41Å; C444-Y478 HydrophobicContact CB-CD1 4.43Å; C444-Y478 HydrophobicContact CB-CE1 4.17Å
479	V	91.1	Very high	83.9	Confident	22 Å²	22	26.4 Å²	26.4	13%	0.133	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.8	-178.9	-60	0	0	0	0	111	G442 F443 D445 R472 A477	G442-V479 CarbonylContact C-O 3.53Å; G442-V479 WeakPolarHBondContact CA-O 3.32Å; F443-V479 HydrophobicContact CD1-CG2 4.22Å; F443-V479 HydrophobicContact CD2-CG2 4.47Å; F443-V479 HydrophobicContact CE1-CG2 3.69Å; F443-V479 HydrophobicContact CE2-CG2 3.95Å; F443-V479 HydrophobicContact CZ-CG2 3.53Å; F443-V479 PolarHBondContact N-O 3.18Å; F443-V479 PolarHBondContact O-N 3.14Å; D445-V479 HydrophobicContact CB-CG1 4.34Å; D445-V479 HydrophobicContact CB-CG2 3.76Å; R472-V479 VanDerWaalsContact NH1-CG1 3.29Å; A477-V479 PolarHBondContact O-N 2.98Å
480	P	90.8	Very high	84	Confident	20 Å²	20	25.5 Å²	25.5	13%	0.13	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	158.9	178.1	29	-34	0	0	0	111.1	L435 A440 T482 S489 Y490	L435-P480 HydrophobicContact CD1-CB 3.78Å; L435-P480 HydrophobicContact CD1-CG 4.19Å; A440-P480 HydrophobicContact CB-CB 4.29Å; P480-T482 HydrophobicContact CG-CG2 4.44Å; P480-T482 WeakPolarHBondContact O-CG2 3.39Å; P480-S489 WeakPolarHBondContact CB-OG 3.38Å; P480-Y490 HydrophobicContact CB-CE2 4.04Å; P480-Y490 HydrophobicContact CG-CE2 4.11Å; P480-Y490 WeakPolarHBondContact CG-OH 3.37Å
481	F	86.9	Confident	84.2	Confident	36 Å²	36	20.1 Å²	20.1	16%	0.158	12%	0.116	C	C	.	.			trans	-81.6	132.5	165.5	-62.8	-95.1	0	0	0	110	T432 Y441 F443 T487 S489	T432-F481 HydrophobicContact CG2-CE2 3.61Å; T432-F481 HydrophobicContact CG2-CZ 3.92Å; Y441-F481 AromaticContact CD2-CD2 3.64Å; Y441-F481 HydrophobicContact CD2-CD2 3.64Å; Y441-F481 AromaticContact CD2-CE2 3.8Å; Y441-F481 HydrophobicContact CD2-CE2 3.8Å; Y441-F481 AromaticContact CE2-CD2 3.5Å; Y441-F481 HydrophobicContact CE2-CD2 3.5Å; Y441-F481 AromaticContact CE2-CE2 3.87Å; Y441-F481 HydrophobicContact CE2-CE2 3.87Å; Y441-F481 HydrophobicContact CE2-CG 4.36Å; F443-F481 HydrophobicContact CB-CE1 4.42Å; F443-F481 HydrophobicContact CB-CE2 3.97Å; F443-F481 HydrophobicContact CB-CZ 3.69Å; F443-F481 AromaticContact CD1-CD1 3.66Å; F443-F481 HydrophobicContact CD1-CD1 3.66Å; F443-F481 AromaticContact CD1-CD2 3.82Å; F443-F481 HydrophobicContact CD1-CD2 3.82Å; F443-F481 AromaticContact CD1-CE1 3.43Å; F443-F481 HydrophobicContact CD1-CE1 3.43Å; F443-F481 VanDerWaalsContact CD1-CE1 3.43Å; F443-F481 AromaticContact CD1-CE2 3.59Å; F443-F481 HydrophobicContact CD1-CE2 3.59Å; F443-F481 AromaticContact CD1-CG 3.85Å; F443-F481 HydrophobicContact CD1-CG 3.85Å; F443-F481 AromaticContact CD1-CZ 3.41Å; F443-F481 HydrophobicContact CD1-CZ 3.41Å; F443-F481 VanDerWaalsContact CD1-CZ 3.41Å; F443-F481 AromaticContact CE1-CD1 3.75Å; F443-F481 HydrophobicContact CE1-CD1 3.75Å; F443-F481 HydrophobicContact CE1-CD2 4.46Å; F443-F481 AromaticContact CE1-CE1 3.88Å; F443-F481 HydrophobicContact CE1-CE1 3.88Å; F443-F481 HydrophobicContact CE1-CG 4.06Å; F443-F481 HydrophobicContact CE1-CZ 4.3Å; F443-F481 HydrophobicContact CG-CE1 4.03Å; F443-F481 HydrophobicContact CG-CE2 4.19Å; F443-F481 AromaticContact CG-CZ 3.78Å; F443-F481 HydrophobicContact CG-CZ 3.78Å; F481-T487 CarbonylContact C-O 3.57Å; F481-T487 WeakPolarHBondContact CB-O 3.31Å; F481-S489 PolarHBondContact N-OG 3.3Å; F481-S489 PolarHBondContact O-N 2.9Å; F481-S489 VanDerWaalsContact O-N 3.14Å; F481-S489 PolarHBondContact O-OG 3.22Å
482	T	76	Confident	84.3	Confident	46 Å²	46	22.3 Å²	22.3	28%	0.282	13%	0.129	S	C	.	.	B	Isolated β-bridge	trans	-120.2	10.9	-168.2	76	0	0	0	0	112.6	S363 P480	S363-T482 WeakPolarHBondContact OG-CB 3.17Å; S363-T482 WeakPolarHBondContact OG-CG2 3.16Å; P480-T482 HydrophobicContact CG-CG2 4.44Å; P480-T482 WeakPolarHBondContact O-CG2 3.39Å
483	G	67.4	Low	84.3	Confident	22 Å²	22	22.1 Å²	22.1	23%	0.227	13%	0.128	C	C	.	.	S	Bend	trans	-83.7	-173.6	-177.3	0	0	0	0	0	113.3	T487 Y488	G483-T487 WeakPolarHBondContact CA-OG1 3.44Å; G483-T487 PolarHBondContact N-O 3.26Å; G483-Y488 WeakPolarHBondContact O-CB 3.47Å
484	T	56.4	Low	84.2	Confident	77 Å²	77	25 Å²	25	47%	0.472	15%	0.147	S	C	.	.	S	Bend	trans	-90.2	150.8	177	53	0	0	0	0	112.2	T487	T484-T487 PolarHBondContact O-OG1 3.35Å
485	G	57	Low	84	Confident	14 Å²	14	27.9 Å²	27.9	14%	0.144	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	65.7	-130.2	177.8	0	0	0	0	0	113.8	T487 Y488 E499	G485-T487 PolarHBondContact O-N 2.84Å; G485-T487 VanDerWaalsContact O-N 3.13Å; G485-Y488 WeakPolarHBondContact O-CB 3.08Å; G485-Y488 PolarHBondContact O-N 2.84Å; G485-E499 PolarHBondContact N-OE2 2.83Å
486	N	55.8	Low	83.5	Confident	50 Å²	50	28 Å²	28	27%	0.267	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-71.1	-3.9	-174	-67.7	2.2	0	0	0	114.5	Y441 K504	Y441-N486 PolarHBondContact OH-O 3.28Å; N486-K504 PolarHBondContact ND2-O 2.81Å
487	T	70.7	Confident	83.3	Confident	41 Å²	41	30.1 Å²	30.1	25%	0.252	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-103.5	25.9	174.8	65.3	0	0	0	0	112	F25 F481 G483 T484 G485	F25-T487 HydrophobicContact CZ-CG2 3.91Å; F481-T487 CarbonylContact C-O 3.57Å; F481-T487 WeakPolarHBondContact CB-O 3.31Å; G483-T487 WeakPolarHBondContact CA-OG1 3.44Å; G483-T487 PolarHBondContact N-O 3.26Å; T484-T487 PolarHBondContact O-OG1 3.35Å; G485-T487 PolarHBondContact O-N 2.84Å; G485-T487 VanDerWaalsContact O-N 3.13Å
488	Y	83.2	Confident	83	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-107.8	133.4	172.8	-175.9	-96.2	0	0	0	109.4	E230 Y441 G483 G485 Y490 T493 K496 F511	E230-Y488 HydrophobicContact CG-CD2 4.42Å; E230-Y488 HydrophobicContact CG-CE2 3.98Å; E230-Y488 WeakPolarHBondContact OE1-CE2 3.03Å; E230-Y488 PolarHBondContact OE1-OH 3.23Å; Y441-Y488 PolarHBondContact OH-O 3.04Å; G483-Y488 WeakPolarHBondContact O-CB 3.47Å; G485-Y488 WeakPolarHBondContact O-CB 3.08Å; G485-Y488 PolarHBondContact O-N 2.84Å; Y488-Y490 HydrophobicContact CE1-CD2 4.4Å; Y488-Y490 VanDerWaalsContact CE1-O 3.28Å; Y488-Y490 WeakPolarHBondContact CE1-O 3.38Å; Y488-Y490 HydrophobicContact CE2-CD2 4.08Å; Y488-Y490 AromaticContact CZ-CD2 3.82Å; Y488-T493 HydrophobicContact CE1-CG2 3.99Å; Y488-T493 WeakPolarHBondContact CE1-OG1 3.35Å; Y488-T493 WeakPolarHBondContact OH-CG2 3.46Å; Y488-T493 PolarHBondContact OH-OG1 3.38Å; Y488-K496 HydrophobicContact CD1-CB 4.05Å; Y488-K496 HydrophobicContact CD1-CG 3.69Å; Y488-K496 HydrophobicContact CD2-CG 4.39Å; Y488-K496 HydrophobicContact CE1-CB 4.32Å; Y488-K496 HydrophobicContact CE1-CG 3.76Å; Y488-K496 HydrophobicContact CE2-CG 4.46Å; Y488-K496 HydrophobicContact CG-CD 4.39Å; Y488-K496 HydrophobicContact CG-CG 3.98Å; Y488-F511 HydrophobicContact CD1-CD1 4.18Å; Y488-F511 AromaticContact CD1-CE1 3.84Å; Y488-F511 HydrophobicContact CD1-CE1 3.84Å; Y488-F511 HydrophobicContact CD1-CZ 4.37Å; Y488-F511 WeakPolarHBondContact O-CE1 3.39Å; Y488-F511 WeakPolarHBondContact O-CZ 3.01Å
489	S	90.2	Very high	82.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.217	C	C	.	.			trans	-118.5	-7.5	-168.5	74.6	0	0	0	0	118.4	A440 Y441 P480 F481 C491 C544	A440-S489 WeakPolarHBondContact CA-O 2.99Å; A440-S489 WeakPolarHBondContact CB-O 3.16Å; Y441-S489 VanDerWaalsContact CE1-CB 3.43Å; Y441-S489 VanDerWaalsContact CZ-CB 3.43Å; Y441-S489 PolarHBondContact N-O 2.87Å; Y441-S489 WeakPolarHBondContact O-CB 3.31Å; Y441-S489 PolarHBondContact O-OG 3.01Å; P480-S489 WeakPolarHBondContact CB-OG 3.38Å; F481-S489 PolarHBondContact N-OG 3.3Å; F481-S489 PolarHBondContact O-N 2.9Å; F481-S489 VanDerWaalsContact O-N 3.14Å; F481-S489 PolarHBondContact O-OG 3.22Å; S489-C491 PolarHBondContact O-N 2.86Å; S489-C544 PolarHBondContact O-SG 3.04Å
490	Y	92.8	Very high	82.6	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.012	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-75	112.8	176.3	-68.2	-79.9	0	0	0	110.9	R364 E438 A440 P480 Y488 N492 T493 F511	R364-Y490 HydrophobicContact CB-CE1 4.41Å; R364-Y490 HydrophobicContact CG-CD1 4.43Å; R364-Y490 HydrophobicContact CG-CE1 3.73Å; R364-Y490 HydrophobicContact CG-CE2 4.23Å; R364-Y490 WeakPolarHBondContact CG-OH 3.42Å; R364-Y490 PolarHBondContact N-OH 2.94Å; R364-Y490 VanDerWaalsContact NE-CD1 3.27Å; E438-Y490 HydrophobicContact CB-CE1 4.15Å; A440-Y490 HydrophobicContact CB-CD1 3.62Å; A440-Y490 HydrophobicContact CB-CE1 3.95Å; A440-Y490 HydrophobicContact CB-CG 4.1Å; P480-Y490 HydrophobicContact CB-CE2 4.04Å; P480-Y490 HydrophobicContact CG-CE2 4.11Å; P480-Y490 WeakPolarHBondContact CG-OH 3.37Å; Y488-Y490 HydrophobicContact CE1-CD2 4.4Å; Y488-Y490 VanDerWaalsContact CE1-O 3.28Å; Y488-Y490 WeakPolarHBondContact CE1-O 3.38Å; Y488-Y490 HydrophobicContact CE2-CD2 4.08Å; Y488-Y490 AromaticContact CZ-CD2 3.82Å; Y490-N492 VanDerWaalsContact C-N 3.3Å; Y490-N492 PolarHBondContact O-N 2.83Å; Y490-T493 PolarHBondContact O-OG1 2.83Å; Y490-F511 VanDerWaalsContact O-CD1 3.23Å; Y490-F511 WeakPolarHBondContact O-CD1 3.35Å
491	C	93.6	Very high	82.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-31.4	-170.7	-56.3	0	0	0	0	112.6	N439 S489 T493 F511 G512 S515 C517 C544	N439-C491 PolarHBondContact O-N 3.08Å; S489-C491 PolarHBondContact O-N 2.86Å; C491-T493 VanDerWaalsContact C-N 3.25Å; C491-T493 PolarHBondContact O-N 3.4Å; C491-T493 VanDerWaalsContact O-N 3.11Å; C491-F511 WeakPolarHBondContact O-CA 3.44Å; C491-G512 PolarHBondContact O-N 3.07Å; C491-G512 VanDerWaalsContact O-N 3.09Å; C491-S515 WeakPolarHBondContact O-CB 3.27Å; C491-C517 VanDerWaalsContact SG-CA 3.53Å; C491-C517 PolarHBondContact SG-N 2.78Å; C491-C517 VanDerWaalsContact SG-N 3.36Å; C491-C544 WeakPolarHBondContact CA-SG 3.32Å; C491-C544 HydrophobicContact CB-CB 3.52Å; C491-C544 WeakPolarHBondContact CB-SG 3.5Å; C491-C544 WeakPolarHBondContact SG-CA 3.41Å; C491-C544 WeakPolarHBondContact SG-CB 3.5Å; C491-C544 CovalentContact SG-SG 2.04Å; C491-C544 PolarHBondContact SG-SG 3.21Å
492	N	93.7	Very high	82.4	Confident	63 Å²	63	41.3 Å²	41.3	34%	0.337	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	40.5	-177.8	68.6	-30	0	0	0	114.9	R364 Y490 P494 G512	R364-N492 PolarHBondContact NH1-OD1 2.96Å; R364-N492 PolarHBondContact NH2-OD1 2.92Å; Y490-N492 VanDerWaalsContact C-N 3.3Å; Y490-N492 PolarHBondContact O-N 2.83Å; N492-P494 WeakPolarHBondContact O-CD 3.32Å; N492-G512 VanDerWaalsContact CA-O 3.3Å; N492-G512 WeakPolarHBondContact CA-O 3.4Å
493	T	92	Very high	82.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.			trans	-122.3	80.7	-179.4	-51	0	0	0	0	111.3	Y229 Y488 Y490 C491 E495 K496 F511	Y229-T493 HydrophobicContact CD1-CG2 4.17Å; Y229-T493 HydrophobicContact CE1-CG2 3.42Å; Y229-T493 VanDerWaalsContact CE1-CG2 3.42Å; Y488-T493 HydrophobicContact CE1-CG2 3.99Å; Y488-T493 WeakPolarHBondContact CE1-OG1 3.35Å; Y488-T493 WeakPolarHBondContact OH-CG2 3.46Å; Y488-T493 PolarHBondContact OH-OG1 3.38Å; Y490-T493 PolarHBondContact O-OG1 2.83Å; C491-T493 VanDerWaalsContact C-N 3.25Å; C491-T493 PolarHBondContact O-N 3.4Å; C491-T493 VanDerWaalsContact O-N 3.11Å; T493-E495 HydrophobicContact CG2-CB 4.41Å; T493-E495 PolarHBondContact O-N 2.92Å; T493-E495 VanDerWaalsContact O-N 3.08Å; T493-K496 HydrophobicContact CG2-CB 4.35Å; T493-K496 HydrophobicContact CG2-CG 3.81Å; T493-K496 PolarHBondContact O-N 2.93Å; T493-F511 WeakPolarHBondContact O-CB 3.49Å
494	P	93	Very high	83.6	Confident	61 Å²	61	46.7 Å²	46.7	40%	0.396	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-52.3	-31.2	180	-23	30.3	0	0	0	114.4	N492 K496 Q497 A513	N492-P494 WeakPolarHBondContact O-CD 3.32Å; P494-K496 PolarHBondContact O-N 3.13Å; P494-K496 VanDerWaalsContact O-N 3.13Å; P494-Q497 WeakPolarHBondContact O-CB 3.35Å; P494-Q497 PolarHBondContact O-N 3.05Å; P494-A513 HydrophobicContact CG-CB 4.3Å
495	E	90.3	Very high	85	Confident	93 Å²	93	43.5 Å²	43.5	44%	0.435	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61.1	-20.8	179.7	-61.3	85.9	171.2	0	0	113	Y229 T493	Y229-E495 HydrophobicContact CD1-CB 4.37Å; Y229-E495 HydrophobicContact CD2-CB 3.78Å; Y229-E495 HydrophobicContact CD2-CG 3.57Å; Y229-E495 HydrophobicContact CE2-CB 4Å; Y229-E495 HydrophobicContact CE2-CG 3.53Å; Y229-E495 WeakPolarHBondContact CE2-OE1 3.27Å; Y229-E495 HydrophobicContact CG-CB 3.96Å; Y229-E495 HydrophobicContact CG-CG 4.28Å; T493-E495 HydrophobicContact CG2-CB 4.41Å; T493-E495 PolarHBondContact O-N 2.92Å; T493-E495 VanDerWaalsContact O-N 3.08Å
496	K	88.4	Confident	86.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-90.9	-9.9	177.6	-69.9	-62.2	-171.3	-175.5	0	114.4	E230 Y488 T493 P494 S498 E499 F511	E230-K496 VanDerWaalsContact CG-CE 3.49Å; Y488-K496 HydrophobicContact CD1-CB 4.05Å; Y488-K496 HydrophobicContact CD1-CG 3.69Å; Y488-K496 HydrophobicContact CD2-CG 4.39Å; Y488-K496 HydrophobicContact CE1-CB 4.32Å; Y488-K496 HydrophobicContact CE1-CG 3.76Å; Y488-K496 HydrophobicContact CE2-CG 4.46Å; Y488-K496 HydrophobicContact CG-CD 4.39Å; Y488-K496 HydrophobicContact CG-CG 3.98Å; T493-K496 HydrophobicContact CG2-CB 4.35Å; T493-K496 HydrophobicContact CG2-CG 3.81Å; T493-K496 PolarHBondContact O-N 2.93Å; P494-K496 PolarHBondContact O-N 3.13Å; P494-K496 VanDerWaalsContact O-N 3.13Å; K496-S498 VanDerWaalsContact C-N 3.29Å; K496-S498 PolarHBondContact O-N 3.08Å; K496-E499 VanDerWaalsContact CD-CD 3.47Å; K496-E499 HydrophobicContact CD-CG 4.46Å; K496-E499 WeakPolarHBondContact CD-OE1 3.49Å; K496-E499 WeakPolarHBondContact CD-OE2 3.18Å; K496-E499 IonicContact NZ-OE1 3.04Å; K496-E499 PolarHBondContact NZ-OE1 2.71Å; K496-E499 IonicContact NZ-OE2 3.86Å; K496-E499 PolarHBondContact NZ-OE2 3.2Å; K496-E499 PolarHBondContact O-N 3.46Å; K496-E499 VanDerWaalsContact O-N 3.12Å; K496-F511 HydrophobicContact CB-CB 4.48Å; K496-F511 HydrophobicContact CB-CD2 4.46Å; K496-F511 HydrophobicContact CB-CG 4.33Å
497	Q	91.2	Very high	87.6	Confident	45 Å²	45	43.6 Å²	43.6	21%	0.21	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-65.3	-32.9	-177.4	-174.2	52.5	26	0	0	113.2	P494 E499 V500 Y510 F511	P494-Q497 WeakPolarHBondContact O-CB 3.35Å; P494-Q497 PolarHBondContact O-N 3.05Å; Q497-E499 PolarHBondContact O-N 2.92Å; Q497-V500 WeakPolarHBondContact O-CB 3.28Å; Q497-V500 PolarHBondContact O-N 2.86Å; Q497-Y510 HydrophobicContact CG-CE2 4.32Å; Q497-F511 HydrophobicContact CB-CB 4.38Å; Q497-F511 WeakPolarHBondContact CB-O 3.18Å; Q497-F511 PolarHBondContact OE1-O 2.97Å
498	S	89.4	Confident	88.4	Confident	111 Å²	111	42.3 Å²	42.3	78%	0.776	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-69.2	-20.7	177.2	56.3	0	0	0	0	113.3	K496 V500	K496-S498 VanDerWaalsContact C-N 3.29Å; K496-S498 PolarHBondContact O-N 3.08Å; S498-V500 VanDerWaalsContact C-N 3.31Å
499	E	87.8	Confident	88.7	Confident	67 Å²	67	42.8 Å²	42.8	31%	0.313	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-82.5	-10.3	177.5	-60	179.6	-160.8	0	0	112.5	G485 K496 Q497 Q501	G485-E499 PolarHBondContact N-OE2 2.83Å; K496-E499 VanDerWaalsContact CD-CD 3.47Å; K496-E499 HydrophobicContact CD-CG 4.46Å; K496-E499 WeakPolarHBondContact CD-OE1 3.49Å; K496-E499 WeakPolarHBondContact CD-OE2 3.18Å; K496-E499 IonicContact NZ-OE1 3.04Å; K496-E499 PolarHBondContact NZ-OE1 2.71Å; K496-E499 IonicContact NZ-OE2 3.86Å; K496-E499 PolarHBondContact NZ-OE2 3.2Å; K496-E499 PolarHBondContact O-N 3.46Å; K496-E499 VanDerWaalsContact O-N 3.12Å; Q497-E499 PolarHBondContact O-N 2.92Å; E499-Q501 PolarHBondContact O-N 2.63Å
500	V	87.4	Confident	88.7	Confident	12 Å²	12	47.4 Å²	47.4	7%	0.073	24%	0.237	C	C	.	.			trans	-71.7	114.6	-177.6	179.2	0	0	0	0	110.8	Q497 S498 Q502 N505 F511	Q497-V500 WeakPolarHBondContact O-CB 3.28Å; Q497-V500 PolarHBondContact O-N 2.86Å; S498-V500 VanDerWaalsContact C-N 3.31Å; V500-Q502 PolarHBondContact O-N 3.29Å; V500-N505 HydrophobicContact CG1-CB 3.95Å; V500-F511 HydrophobicContact CG2-CD2 3.63Å; V500-F511 HydrophobicContact CG2-CE2 3.77Å
501	Q	87.1	Confident	88.8	Confident	89 Å²	89	47.3 Å²	47.3	42%	0.416	24%	0.237	S	C	.	.			trans	-80.4	103.2	174.1	-70.4	175.6	44.8	0	0	110	E499 N503 K504 N505	E499-Q501 PolarHBondContact O-N 2.63Å; Q501-N503 PolarHBondContact O-N 3.32Å; Q501-K504 HydrophobicContact CB-CB 4.17Å; Q501-K504 HydrophobicContact CB-CD 4.4Å; Q501-K504 HydrophobicContact CB-CG 4.4Å; Q501-K504 CarbonylContact O-C 3.49Å; Q501-K504 WeakPolarHBondContact O-CA 3.27Å; Q501-K504 PolarHBondContact O-N 3.28Å; Q501-K504 VanDerWaalsContact OE1-CD 3.3Å; Q501-K504 VanDerWaalsContact OE1-CE 3.24Å; Q501-N505 PolarHBondContact O-N 3.23Å
502	Q	86.2	Confident	88.8	Confident	71 Å²	71	47.6 Å²	47.6	33%	0.332	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-58.7	-33.3	-175.1	-64.3	-60.2	-31.5	0	0	113.7	V500 K504 N505 Y581	V500-Q502 PolarHBondContact O-N 3.29Å; Q502-K504 PolarHBondContact O-N 3.15Å; Q502-N505 PolarHBondContact O-N 3.01Å; Q502-Y581 HydrophobicContact CB-CD2 4.03Å; Q502-Y581 HydrophobicContact CB-CE2 3.51Å; Q502-Y581 WeakPolarHBondContact O-CD2 3.25Å
503	N	85.2	Confident	88.8	Confident	75 Å²	75	48.6 Å²	48.6	40%	0.401	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-76.3	3.9	175	69.6	-24.3	0	0	0	114.1	Q501 Y581 F582	Q501-N503 PolarHBondContact O-N 3.32Å; N503-Y581 HydrophobicContact CB-CD1 3.85Å; N503-Y581 HydrophobicContact CB-CE1 3.96Å; N503-Y581 HydrophobicContact CB-CG 4.19Å; N503-F582 WeakPolarHBondContact O-CZ 3.4Å
504	K	83.8	Confident	88.9	Confident	107 Å²	107	51.8 Å²	51.8	47%	0.465	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-131	5.3	172.5	-62.2	-176.7	-175	162.3	0	112	N486 Q501 Q502 Y506	N486-K504 PolarHBondContact ND2-O 2.81Å; Q501-K504 HydrophobicContact CB-CB 4.17Å; Q501-K504 HydrophobicContact CB-CD 4.4Å; Q501-K504 HydrophobicContact CB-CG 4.4Å; Q501-K504 CarbonylContact O-C 3.49Å; Q501-K504 WeakPolarHBondContact O-CA 3.27Å; Q501-K504 PolarHBondContact O-N 3.28Å; Q501-K504 VanDerWaalsContact OE1-CD 3.3Å; Q501-K504 VanDerWaalsContact OE1-CE 3.24Å; Q502-K504 PolarHBondContact O-N 3.15Å; K504-Y506 VanDerWaalsContact C-N 3.26Å; K504-Y506 WeakPolarHBondContact O-CD1 3.22Å; K504-Y506 WeakPolarHBondContact O-CE1 3.18Å; K504-Y506 PolarHBondContact O-N 3.41Å
505	N	86	Confident	88.9	Confident	9 Å²	9	49 Å²	49	5%	0.048	26%	0.261	C	S	.	.			trans	-91.3	49.4	-176	-169	24.2	0	0	0	111.9	V500 Q501 Q502 M507 L508 H509	V500-N505 HydrophobicContact CG1-CB 3.95Å; Q501-N505 PolarHBondContact O-N 3.23Å; Q502-N505 PolarHBondContact O-N 3.01Å; N505-M507 PolarHBondContact O-N 2.73Å; N505-L508 PolarHBondContact O-N 3.44Å; N505-L508 VanDerWaalsContact O-N 3.11Å; N505-L508 PolarHBondContact OD1-N 2.91Å; N505-H509 PolarHBondContact ND2-O 3.44Å; N505-H509 PolarHBondContact OD1-N 2.86Å
506	Y	83.3	Confident	89.1	Confident	62 Å²	62	45.1 Å²	45.1	24%	0.243	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11	-177.7	55.4	-95	0	0	0	113.4	K504 W526 V528 E537 I584	K504-Y506 VanDerWaalsContact C-N 3.26Å; K504-Y506 WeakPolarHBondContact O-CD1 3.22Å; K504-Y506 WeakPolarHBondContact O-CE1 3.18Å; K504-Y506 PolarHBondContact O-N 3.41Å; Y506-W526 PolarHBondContact O-NE1 2.76Å; Y506-V528 HydrophobicContact CD2-CG2 4.04Å; Y506-V528 HydrophobicContact CG-CG1 4.48Å; Y506-V528 HydrophobicContact CG-CG2 4.33Å; Y506-E537 HydrophobicContact CD2-CG 4.07Å; Y506-E537 HydrophobicContact CE2-CB 4.22Å; Y506-E537 HydrophobicContact CE2-CG 3.64Å; Y506-E537 WeakPolarHBondContact CE2-OE2 2.99Å; Y506-E537 VanDerWaalsContact CZ-CD 3.46Å; Y506-E537 VanDerWaalsContact OH-CD 3.26Å; Y506-E537 PolarHBondContact OH-OE1 2.8Å; Y506-E537 PolarHBondContact OH-OE2 2.87Å; Y506-I584 VanDerWaalsContact O-CD1 3.24Å; Y506-I584 WeakPolarHBondContact O-CD1 3.32Å
507	M	83.9	Confident	89.4	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.025	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.9	172.1	-68.4	-65.5	162.1	0	0	113.6	N505 H509 W526 E537 A539 P540 S543	N505-M507 PolarHBondContact O-N 2.73Å; M507-H509 VanDerWaalsContact C-N 3.29Å; M507-H509 WeakPolarHBondContact CB-NE2 3.45Å; M507-H509 PolarHBondContact O-N 3.22Å; M507-W526 HydrophobicContact CE-CG 4.21Å; M507-W526 HydrophobicContact SD-CD2 4.4Å; M507-W526 HydrophobicContact SD-CG 4.34Å; M507-E537 HydrophobicContact CE-CB 3.74Å; M507-E537 HydrophobicContact CE-CG 4.49Å; M507-A539 WeakPolarHBondContact CE-O 2.96Å; M507-P540 VanDerWaalsContact CE-CD 3.42Å; M507-P540 HydrophobicContact CG-CG 4.35Å; M507-S543 WeakPolarHBondContact O-CB 3.32Å; M507-S543 PolarHBondContact O-OG 2.81Å
508	L	87.1	Confident	89.5	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.068	24%	0.239	C	C	.	.			trans	60.2	35.3	177.8	-53.8	174.5	0	0	0	113.4	N505 Y510 W526 F559 F575 L577 I584	N505-L508 PolarHBondContact O-N 3.44Å; N505-L508 VanDerWaalsContact O-N 3.11Å; N505-L508 PolarHBondContact OD1-N 2.91Å; L508-Y510 PolarHBondContact O-N 3.31Å; L508-W526 HydrophobicContact CD1-CH2 4.38Å; L508-W526 HydrophobicContact CD1-CZ2 4.2Å; L508-W526 HydrophobicContact CG-CZ2 4.36Å; L508-F559 HydrophobicContact CD1-CD1 3.78Å; L508-F559 HydrophobicContact CD1-CE1 4.37Å; L508-F575 HydrophobicContact CD1-CE2 4.05Å; L508-F575 HydrophobicContact CD1-CZ 4.25Å; L508-L577 HydrophobicContact CD1-CD2 3.62Å; L508-L577 HydrophobicContact CD2-CD2 3.62Å; L508-L577 HydrophobicContact CG-CD2 4.28Å; L508-I584 HydrophobicContact CD1-CD1 3.91Å; L508-I584 HydrophobicContact CD2-CD1 3.58Å; L508-I584 HydrophobicContact CG-CD1 3.68Å
509	H	89.4	Confident	89.7	Confident	10 Å²	10	41 Å²	41	5%	0.046	22%	0.215	C	C	.	.			trans	-62.1	131.7	173	-66.2	-76.5	0	0	0	110.6	Y441 N505 M507 F511 C544	Y441-H509 AromaticContact CD1-CE1 3.95Å; Y441-H509 AromaticContact CE1-CE1 3.3Å; Y441-H509 WeakPolarHBondContact CE1-CE1 3.45Å; Y441-H509 AromaticContact CE1-ND1 3.45Å; Y441-H509 WeakPolarHBondContact CE1-ND1 3.38Å; Y441-H509 AromaticContact CZ-CE1 3.41Å; Y441-H509 VanDerWaalsContact CZ-CE1 3.41Å; Y441-H509 AromaticContact CZ-ND1 3.9Å; N505-H509 PolarHBondContact ND2-O 3.44Å; N505-H509 PolarHBondContact OD1-N 2.86Å; M507-H509 VanDerWaalsContact C-N 3.29Å; M507-H509 WeakPolarHBondContact CB-NE2 3.45Å; M507-H509 PolarHBondContact O-N 3.22Å; H509-F511 HydrophobicContact CB-CE2 3.99Å; H509-F511 HydrophobicContact CB-CZ 4.2Å; H509-C544 CarbonylContact C-O 3.49Å; H509-C544 WeakPolarHBondContact CA-O 3.35Å; H509-C544 PolarHBondContact ND1-N 3.43Å
510	Y	92.3	Very high	89.8	Confident	97 Å²	97	38.3 Å²	38.3	38%	0.38	20%	0.203	S	C	.	.			trans	-135.5	129.2	169	-177.4	-85.7	0	0	0	108.9	Q497 L508 S515 C544 N546	Q497-Y510 HydrophobicContact CG-CE2 4.32Å; L508-Y510 PolarHBondContact O-N 3.31Å; Y510-S515 WeakPolarHBondContact CD1-OG 3.08Å; Y510-S515 WeakPolarHBondContact CE1-OG 3.39Å; Y510-S515 WeakPolarHBondContact O-CB 3.44Å; Y510-C544 PolarHBondContact N-O 2.95Å; Y510-C544 CarbonylContact O-C 3.6Å; Y510-C544 VanDerWaalsContact O-CB 3.24Å; Y510-C544 WeakPolarHBondContact O-CB 3.15Å; Y510-N546 HydrophobicContact CD1-CB 3.57Å; Y510-N546 HydrophobicContact CE1-CB 3.76Å; Y510-N546 HydrophobicContact CG-CB 4.31Å
511	F	92.8	Very high	89.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.202	C	C	.	.			trans	-110.1	124.7	179.8	-57.6	-81.2	0	0	0	109.8	Y488 Y490 C491 T493 K496 Q497 V500 H509 C544	Y488-F511 HydrophobicContact CD1-CD1 4.18Å; Y488-F511 AromaticContact CD1-CE1 3.84Å; Y488-F511 HydrophobicContact CD1-CE1 3.84Å; Y488-F511 HydrophobicContact CD1-CZ 4.37Å; Y488-F511 WeakPolarHBondContact O-CE1 3.39Å; Y488-F511 WeakPolarHBondContact O-CZ 3.01Å; Y490-F511 VanDerWaalsContact O-CD1 3.23Å; Y490-F511 WeakPolarHBondContact O-CD1 3.35Å; C491-F511 WeakPolarHBondContact O-CA 3.44Å; T493-F511 WeakPolarHBondContact O-CB 3.49Å; K496-F511 HydrophobicContact CB-CB 4.48Å; K496-F511 HydrophobicContact CB-CD2 4.46Å; K496-F511 HydrophobicContact CB-CG 4.33Å; Q497-F511 HydrophobicContact CB-CB 4.38Å; Q497-F511 WeakPolarHBondContact CB-O 3.18Å; Q497-F511 PolarHBondContact OE1-O 2.97Å; V500-F511 HydrophobicContact CG2-CD2 3.63Å; V500-F511 HydrophobicContact CG2-CE2 3.77Å; H509-F511 HydrophobicContact CB-CE2 3.99Å; H509-F511 HydrophobicContact CB-CZ 4.2Å; F511-C544 HydrophobicContact CD1-CB 4.44Å; F511-C544 HydrophobicContact CE1-CB 4.26Å
512	G	93.7	Very high	89.3	Confident	6 Å²	6	37.6 Å²	37.6	6%	0.062	21%	0.207	C	C	.	.	S	Bend	trans	-172.9	163.9	-171.5	0	0	0	0	0	111.4	C491 N492 S514 S515	C491-G512 PolarHBondContact O-N 3.07Å; C491-G512 VanDerWaalsContact O-N 3.09Å; N492-G512 VanDerWaalsContact CA-O 3.3Å; N492-G512 WeakPolarHBondContact CA-O 3.4Å; G512-S514 PolarHBondContact O-N 2.92Å; G512-S515 VanDerWaalsContact CA-OG 3.29Å; G512-S515 WeakPolarHBondContact CA-OG 3.27Å; G512-S515 PolarHBondContact N-OG 2.89Å; G512-S515 WeakPolarHBondContact O-CB 3.49Å; G512-S515 PolarHBondContact O-N 3.21Å; G512-S515 PolarHBondContact O-OG 3.13Å
513	A	94.4	Very high	89	Confident	84 Å²	84	39.6 Å²	39.6	69%	0.694	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.3	-172.4	0	0	0	0	0	112.4	P494	P494-A513 HydrophobicContact CG-CB 4.3Å
514	S	93.4	Very high	88.6	Confident	67 Å²	67	41.4 Å²	41.4	47%	0.469	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	23	176	-53.4	0	0	0	0	112.6	G512 N546 H547	G512-S514 PolarHBondContact O-N 2.92Å; S514-N546 PolarHBondContact O-OD1 2.92Å; S514-H547 PolarHBondContact O-CE1 2.8Å; S514-H547 PolarHBondContact O-N 3.18Å; S514-H547 PolarHBondContact O-ND1 2.85Å
515	S	94.9	Very high	88.3	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	141.8	179.7	-51.5	0	0	0	0	111.7	N439 C491 Y510 G512 M545	N439-S515 PolarHBondContact ND2-O 2.99Å; C491-S515 WeakPolarHBondContact O-CB 3.27Å; Y510-S515 WeakPolarHBondContact CD1-OG 3.08Å; Y510-S515 WeakPolarHBondContact CE1-OG 3.39Å; Y510-S515 WeakPolarHBondContact O-CB 3.44Å; G512-S515 VanDerWaalsContact CA-OG 3.29Å; G512-S515 WeakPolarHBondContact CA-OG 3.27Å; G512-S515 PolarHBondContact N-OG 2.89Å; G512-S515 WeakPolarHBondContact O-CB 3.49Å; G512-S515 PolarHBondContact O-N 3.21Å; G512-S515 PolarHBondContact O-OG 3.13Å; S515-M545 CarbonylContact C-O 3.42Å; S515-M545 VanDerWaalsContact CA-O 3.23Å; S515-M545 WeakPolarHBondContact CA-O 3.42Å
516	M	94.3	Very high	88.2	Confident	12 Å²	12	42.3 Å²	42.3	6%	0.059	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.1	-178.6	73.7	-175.7	-151.5	0	0	113.5	N439 I518 C544 M545 L555 L557 P591 I596	N439-M516 WeakPolarHBondContact OD1-CA 3.14Å; N439-M516 WeakPolarHBondContact OD1-CB 3.21Å; M516-I518 HydrophobicContact CE-CD1 3.3Å; M516-I518 HydrophobicContact CE-CG1 4.38Å; M516-I518 HydrophobicContact CG-CD1 4.29Å; M516-C544 WeakPolarHBondContact O-CA 3.41Å; M516-M545 PolarHBondContact N-O 2.78Å; M516-M545 PolarHBondContact O-N 3.39Å; M516-L555 HydrophobicContact CE-CD1 4.28Å; M516-L555 HydrophobicContact CE-CD2 3.86Å; M516-L557 HydrophobicContact CE-CD2 4.04Å; M516-P591 HydrophobicContact CE-CG 3.54Å; M516-I596 HydrophobicContact CE-CD1 4.15Å; M516-I596 HydrophobicContact CE-CG1 3.96Å; M516-I596 HydrophobicContact CE-CG2 4.39Å; M516-I596 HydrophobicContact SD-CB 4.46Å; M516-I596 HydrophobicContact SD-CD1 3.76Å; M516-I596 HydrophobicContact SD-CG1 3.95Å; M516-I596 HydrophobicContact SD-CG2 3.66Å
517	C	94.5	Very high	88.3	Confident	17 Å²	17	42.5 Å²	42.5	12%	0.115	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.8	176	-173.3	0	0	0	0	110.8	C434 N439 C491	C434-C517 WeakPolarHBondContact CA-SG 3.47Å; C434-C517 HydrophobicContact CB-CB 3.72Å; C434-C517 WeakPolarHBondContact CB-SG 3.29Å; C434-C517 WeakPolarHBondContact SG-CB 3.49Å; C434-C517 PolarHBondContact SG-O 2.88Å; C434-C517 VanDerWaalsContact SG-O 3.39Å; C434-C517 CovalentContact SG-SG 2.04Å; C434-C517 PolarHBondContact SG-SG 3.01Å; N439-C517 PolarHBondContact OD1-N 3.45Å; C491-C517 VanDerWaalsContact SG-CA 3.53Å; C491-C517 PolarHBondContact SG-N 2.78Å; C491-C517 VanDerWaalsContact SG-N 3.36Å
518	I	93.4	Very high	88.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.9	174.2	-64.5	-61.2	0	0	0	109.6	C434 M516 S542 S543 M545 L557 I588 P591	C434-I518 PolarHBondContact SG-N 2.95Å; M516-I518 HydrophobicContact CE-CD1 3.3Å; M516-I518 HydrophobicContact CE-CG1 4.38Å; M516-I518 HydrophobicContact CG-CD1 4.29Å; I518-S542 CarbonylContact O-C 3.56Å; I518-S542 WeakPolarHBondContact O-CA 3.3Å; I518-S542 WeakPolarHBondContact O-CB 3.41Å; I518-S543 PolarHBondContact N-O 2.83Å; I518-S543 PolarHBondContact O-N 3.45Å; I518-M545 HydrophobicContact CB-CE 4.06Å; I518-M545 HydrophobicContact CB-CG 4.3Å; I518-M545 HydrophobicContact CB-SD 3.76Å; I518-M545 HydrophobicContact CG1-CB 4.11Å; I518-M545 HydrophobicContact CG1-CG 4.05Å; I518-M545 HydrophobicContact CG1-SD 3.65Å; I518-M545 HydrophobicContact CG2-CE 4.07Å; I518-M545 HydrophobicContact CG2-SD 3.99Å; I518-L557 HydrophobicContact CD1-CD1 4.17Å; I518-L557 HydrophobicContact CD1-CD2 4.14Å; I518-L557 HydrophobicContact CG1-CD1 4.17Å; I518-L557 HydrophobicContact CG1-CD2 4.33Å; I518-I588 HydrophobicContact CG2-CB 3.8Å; I518-I588 HydrophobicContact CG2-CD1 4.37Å; I518-I588 HydrophobicContact CG2-CG2 3.96Å; I518-P591 HydrophobicContact CD1-CG 4.46Å
519	N	92.1	Very high	88.4	Confident	53 Å²	53	44 Å²	44	28%	0.283	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.8	170	-72.2	-48.9	0	0	0	109.8	L433 C434 I589	L433-N519 WeakPolarHBondContact CA-OD1 3.49Å; C434-N519 PolarHBondContact N-OD1 2.84Å; C434-N519 PolarHBondContact SG-N 2.97Å; C434-N519 VanDerWaalsContact SG-N 3.45Å; C434-N519 PolarHBondContact SG-OD1 2.99Å; N519-I589 HydrophobicContact CB-CB 4.35Å; N519-I589 HydrophobicContact CB-CD1 4.15Å; N519-I589 HydrophobicContact CB-CG1 4.38Å; N519-I589 PolarHBondContact O-N 2.84Å
520	H	90.1	Very high	88	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	157.9	169.1	-56.8	175.5	0	0	0	109.7	S522 W526 P540 K541 S543 S587	H520-S522 PolarHBondContact O-N 3.2Å; H520-S522 VanDerWaalsContact O-N 3.17Å; H520-W526 AromaticContact CD2-CZ3 3.95Å; H520-W526 AromaticContact CE1-CE3 3.63Å; H520-W526 AromaticContact CE1-CH2 3.6Å; H520-W526 AromaticContact CE1-CZ3 3.4Å; H520-W526 WeakPolarHBondContact CE1-CZ3 3.48Å; H520-W526 AromaticContact CG-CE3 3.99Å; H520-W526 AromaticContact CG-CZ3 3.89Å; H520-W526 AromaticContact ND1-CD2 3.97Å; H520-W526 AromaticContact ND1-CE3 3.42Å; H520-W526 AromaticContact ND1-CZ3 3.57Å; H520-W526 AromaticContact NE2-CH2 3.8Å; H520-W526 AromaticContact NE2-CZ3 3.66Å; H520-P540 PolarHBondContact ND1-O 2.61Å; H520-K541 HydrophobicContact CB-CB 4.43Å; H520-K541 WeakPolarHBondContact CB-O 3.44Å; H520-K541 PolarHBondContact N-O 3.12Å; H520-S543 PolarHBondContact NE2-N 2.9Å; H520-S543 PolarHBondContact NE2-OG 2.95Å; H520-S587 WeakPolarHBondContact CA-O 3.43Å
521	D	86.2	Confident	87.4	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.064	28%	0.275	C	S	.	.			trans	-71.2	110.1	172.6	-173.1	-9.9	0	0	0	110	T523 R524 Y572 S587	D521-T523 PolarHBondContact O-N 2.82Å; D521-T523 VanDerWaalsContact O-N 3.08Å; D521-T523 WeakPolarHBondContact OD1-CB 3.42Å; D521-T523 PolarHBondContact OD1-N 2.66Å; D521-T523 PolarHBondContact OD1-OG1 2.89Å; D521-T523 PolarHBondContact OD2-OG1 2.81Å; D521-T523 VanDerWaalsContact OD2-OG1 3.09Å; D521-R524 HydrophobicContact CB-CB 4.36Å; D521-R524 PolarHBondContact O-N 2.03Å; D521-R524 WeakPolarHBondContact OD2-CD 3.31Å; D521-R524 IonicContact OD2-NE 3Å; D521-Y572 HydrophobicContact CB-CD1 3.89Å; D521-Y572 HydrophobicContact CB-CE1 4.32Å; D521-S587 PolarHBondContact N-O 2.77Å
522	S	78.4	Confident	86.3	Confident	73 Å²	73	60.6 Å²	60.6	51%	0.51	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.7	179.5	67.5	0	0	0	0	115.4	H520 K541	H520-S522 PolarHBondContact O-N 3.2Å; H520-S522 VanDerWaalsContact O-N 3.17Å; S522-K541 PolarHBondContact O-NZ 2.95Å; S522-K541 VanDerWaalsContact O-NZ 3.15Å
523	T	79.2	Confident	85.3	Confident	113 Å²	113	66.2 Å²	66.2	69%	0.693	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-8.1	-179.6	72	0	0	0	0	113.7	D521	D521-T523 PolarHBondContact O-N 2.82Å; D521-T523 VanDerWaalsContact O-N 3.08Å; D521-T523 WeakPolarHBondContact OD1-CB 3.42Å; D521-T523 PolarHBondContact OD1-N 2.66Å; D521-T523 PolarHBondContact OD1-OG1 2.89Å; D521-T523 PolarHBondContact OD2-OG1 2.81Å; D521-T523 VanDerWaalsContact OD2-OG1 3.09Å
524	R	78.4	Confident	83.9	Confident	114 Å²	114	68.5 Å²	68.5	43%	0.43	34%	0.34	S	S	.	.	S	Bend	trans	-119.7	151.1	-178.7	-67.2	175.4	171.9	177.4	-14.4	110.1	D521 D574 S587	D521-R524 HydrophobicContact CB-CB 4.36Å; D521-R524 PolarHBondContact O-N 2.03Å; D521-R524 WeakPolarHBondContact OD2-CD 3.31Å; D521-R524 IonicContact OD2-NE 3Å; R524-D574 IonicContact CZ-OD1 3.12Å; R524-D574 IonicContact CZ-OD2 3.61Å; R524-D574 VanDerWaalsContact CZ-OD2 3.29Å; R524-D574 IonicContact NE-OD1 2.85Å; R524-D574 IonicContact NH1-OD1 3.91Å; R524-D574 PolarHBondContact NH1-OD1 2.62Å; R524-D574 IonicContact NH1-OD2 3.69Å; R524-D574 PolarHBondContact NH1-OD2 2.75Å; R524-D574 IonicContact NH2-OD2 3.68Å; R524-D574 PolarHBondContact NH2-OD2 3.04Å; R524-S587 VanDerWaalsContact CD-OG 3.31Å; R524-S587 WeakPolarHBondContact CD-OG 3.35Å; R524-S587 PolarHBondContact NH1-OG 2.91Å
525	H	76.6	Confident	82.7	Confident	122 Å²	122	69.3 Å²	69.3	57%	0.565	34%	0.335	S	S	*	.			trans	-77.2	144.4	178.5	-67.8	-84.1	0	0	0	110.7	E527 D536	H525-E527 HydrophobicContact CB-CG 4.19Å; H525-D536 IonicContact CE1-OD2 3.79Å; H525-D536 PolarHBondContact CE1-OD2 3.05Å; H525-D536 VanDerWaalsContact CE1-OD2 3.32Å; H525-D536 IonicContact CG-OD1 2.79Å; H525-D536 IonicContact CG-OD2 3.62Å; H525-D536 VanDerWaalsContact ND1-CG 3.34Å; H525-D536 IonicContact ND1-OD1 3.32Å; H525-D536 PolarHBondContact ND1-OD1 3.18Å; H525-D536 IonicContact ND1-OD2 3.15Å; H525-D536 PolarHBondContact ND1-OD2 2.75Å
526	W	83.9	Confident	81	Confident	13 Å²	13	73.1 Å²	73.1	5%	0.049	36%	0.355	C	S	.	.			trans	-99.3	94.2	169.1	-173.8	-85.5	0	0	0	107.7	Y506 M507 L508 H520 F575 I584 I588	Y506-W526 PolarHBondContact O-NE1 2.76Å; M507-W526 HydrophobicContact CE-CG 4.21Å; M507-W526 HydrophobicContact SD-CD2 4.4Å; M507-W526 HydrophobicContact SD-CG 4.34Å; L508-W526 HydrophobicContact CD1-CH2 4.38Å; L508-W526 HydrophobicContact CD1-CZ2 4.2Å; L508-W526 HydrophobicContact CG-CZ2 4.36Å; H520-W526 AromaticContact CD2-CZ3 3.95Å; H520-W526 AromaticContact CE1-CE3 3.63Å; H520-W526 AromaticContact CE1-CH2 3.6Å; H520-W526 AromaticContact CE1-CZ3 3.4Å; H520-W526 WeakPolarHBondContact CE1-CZ3 3.48Å; H520-W526 AromaticContact CG-CE3 3.99Å; H520-W526 AromaticContact CG-CZ3 3.89Å; H520-W526 AromaticContact ND1-CD2 3.97Å; H520-W526 AromaticContact ND1-CE3 3.42Å; H520-W526 AromaticContact ND1-CZ3 3.57Å; H520-W526 AromaticContact NE2-CH2 3.8Å; H520-W526 AromaticContact NE2-CZ3 3.66Å; W526-F575 HydrophobicContact CH2-CE1 4.13Å; W526-F575 AromaticContact CH2-CZ 3.51Å; W526-F575 HydrophobicContact CH2-CZ 3.51Å; W526-F575 HydrophobicContact CZ2-CZ 4.3Å; W526-F575 AromaticContact CZ3-CE1 3.94Å; W526-F575 HydrophobicContact CZ3-CE1 3.94Å; W526-F575 AromaticContact CZ3-CZ 3.76Å; W526-F575 HydrophobicContact CZ3-CZ 3.76Å; W526-I584 HydrophobicContact CD2-CG2 4.33Å; W526-I584 HydrophobicContact CH2-CG2 4.37Å; W526-I584 HydrophobicContact CZ2-CG2 3.67Å; W526-I588 HydrophobicContact CZ3-CG2 4.24Å
527	E	85.9	Confident	79.5	Confident	65 Å²	65	75.5 Å²	75.5	30%	0.304	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.5	-172.3	-58.9	176	164.1	0	0	110.1	H525 I584 N585	H525-E527 HydrophobicContact CB-CG 4.19Å; E527-I584 VanDerWaalsContact O-CA 3.31Å; E527-I584 WeakPolarHBondContact O-CA 3.46Å; E527-N585 HydrophobicContact CB-CB 4.22Å; E527-N585 PolarHBondContact N-O 2.86Å; E527-N585 PolarHBondContact O-N 2.9Å; E527-N585 PolarHBondContact OE2-ND2 2.9Å
528	V	86.2	Confident	77.5	Confident	3 Å²	3	79.1 Å²	79.1	2%	0.018	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.5	177.3	-177.5	0	0	0	0	108.9	Y506 F535 F582	Y506-V528 HydrophobicContact CD2-CG2 4.04Å; Y506-V528 HydrophobicContact CG-CG1 4.48Å; Y506-V528 HydrophobicContact CG-CG2 4.33Å; V528-F535 HydrophobicContact CB-CB 4.39Å; V528-F535 PolarHBondContact N-O 3.39Å; V528-F535 PolarHBondContact O-N 2.93Å; V528-F582 HydrophobicContact CG1-CB 4.12Å; V528-F582 HydrophobicContact CG1-CD1 3.5Å; V528-F582 HydrophobicContact CG1-CE1 4.16Å; V528-F582 HydrophobicContact CG1-CG 4.05Å
529	I	85.7	Confident	75.9	Confident	47 Å²	47	79.6 Å²	79.6	24%	0.241	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119	178	-54.5	166.5	0	0	0	108.9	E533 M534 F582 N583	I529-E533 WeakPolarHBondContact CA-O 3.2Å; I529-M534 HydrophobicContact CG1-CG 4.37Å; I529-F582 WeakPolarHBondContact O-CA 3.41Å; I529-N583 HydrophobicContact CB-CB 4.21Å; I529-N583 PolarHBondContact N-O 2.89Å; I529-N583 PolarHBondContact O-N 3.03Å
530	R	81.4	Confident	74.4	Confident	112 Å²	112	78.5 Å²	78.5	42%	0.423	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.2	178.1	-175.6	-168.8	177	-172.2	-5.8	109.6	H532 E533 F535 F582	R530-H532 PolarHBondContact O-N 2.95Å; R530-E533 PolarHBondContact N-O 2.84Å; R530-E533 PolarHBondContact O-N 3.01Å; R530-F535 HydrophobicContact CB-CD2 4.28Å; R530-F535 HydrophobicContact CB-CE2 3.93Å; R530-F582 HydrophobicContact CB-CD1 3.85Å; R530-F582 HydrophobicContact CB-CE1 4.07Å; R530-F582 HydrophobicContact CG-CD1 4.13Å; R530-F582 HydrophobicContact CG-CE1 4.01Å
531	Q	79.4	Confident	74	Confident	155 Å²	155	80.8 Å²	80.8	72%	0.724	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	32.5	176.5	-66.3	178.8	-32.1	0	0	114.4	E533	Q531-E533 VanDerWaalsContact C-N 3.25Å; Q531-E533 PolarHBondContact O-N 2.86Å
532	H	70.7	Confident	74.2	Confident	191 Å²	191	80.2 Å²	80.2	88%	0.884	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	4.3	-173.7	-46.8	92.9	0	0	0	116.1	R530	R530-H532 PolarHBondContact O-N 2.95Å
533	E	72.3	Confident	74.7	Confident	124 Å²	124	76.7 Å²	76.7	58%	0.579	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	133.5	167.8	-65.5	-177.1	165.8	0	0	109.9	I529 R530 Q531 F535	I529-E533 WeakPolarHBondContact CA-O 3.2Å; R530-E533 PolarHBondContact N-O 2.84Å; R530-E533 PolarHBondContact O-N 3.01Å; Q531-E533 VanDerWaalsContact C-N 3.25Å; Q531-E533 PolarHBondContact O-N 2.86Å; E533-F535 HydrophobicContact CB-CE2 3.78Å; E533-F535 HydrophobicContact CB-CZ 4.06Å
534	M	64.4	Low	75.3	Confident	132 Å²	132	71.3 Å²	71.3	65%	0.65	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.9	178	-169.4	-172.6	-59.2	0	0	108.9	I529	I529-M534 HydrophobicContact CG1-CG 4.37Å
535	F	69.1	Low	76	Confident	83 Å²	83	66 Å²	66	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.4	171.5	-58.4	-91.1	0	0	0	107.2	V528 R530 E533 E537	V528-F535 HydrophobicContact CB-CB 4.39Å; V528-F535 PolarHBondContact N-O 3.39Å; V528-F535 PolarHBondContact O-N 2.93Å; R530-F535 HydrophobicContact CB-CD2 4.28Å; R530-F535 HydrophobicContact CB-CE2 3.93Å; E533-F535 HydrophobicContact CB-CE2 3.78Å; E533-F535 HydrophobicContact CB-CZ 4.06Å; F535-E537 PolarHBondContact O-N 2.91Å
536	D	58	Low	76.9	Confident	83 Å²	83	61.6 Å²	61.6	44%	0.444	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	96.6	162.9	-174.2	16.2	0	0	0	107.4	H525 S538	H525-D536 IonicContact CE1-OD2 3.79Å; H525-D536 PolarHBondContact CE1-OD2 3.05Å; H525-D536 VanDerWaalsContact CE1-OD2 3.32Å; H525-D536 IonicContact CG-OD1 2.79Å; H525-D536 IonicContact CG-OD2 3.62Å; H525-D536 VanDerWaalsContact ND1-CG 3.34Å; H525-D536 IonicContact ND1-OD1 3.32Å; H525-D536 PolarHBondContact ND1-OD1 3.18Å; H525-D536 IonicContact ND1-OD2 3.15Å; H525-D536 PolarHBondContact ND1-OD2 2.75Å; D536-S538 PolarHBondContact O-N 2.86Å
537	E	62.7	Low	77.4	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.29	31%	0.306	S	S	.	.			trans	-82.2	97.9	171.3	-75.4	-98.4	160.3	0	0	106.8	Y506 M507 F535 A539	Y506-E537 HydrophobicContact CD2-CG 4.07Å; Y506-E537 HydrophobicContact CE2-CB 4.22Å; Y506-E537 HydrophobicContact CE2-CG 3.64Å; Y506-E537 WeakPolarHBondContact CE2-OE2 2.99Å; Y506-E537 VanDerWaalsContact CZ-CD 3.46Å; Y506-E537 VanDerWaalsContact OH-CD 3.26Å; Y506-E537 PolarHBondContact OH-OE1 2.8Å; Y506-E537 PolarHBondContact OH-OE2 2.87Å; M507-E537 HydrophobicContact CE-CB 3.74Å; M507-E537 HydrophobicContact CE-CG 4.49Å; F535-E537 PolarHBondContact O-N 2.91Å; E537-A539 PolarHBondContact O-N 3.35Å
538	S	54.2	Low	77.9	Confident	92 Å²	92	62.9 Å²	62.9	64%	0.643	31%	0.309	S	S	*	.			trans	-64.5	4.2	176.1	45.5	0	0	0	0	114.2	D536	D536-S538 PolarHBondContact O-N 2.86Å
539	A	58.9	Low	78.4	Confident	13 Å²	13	65.9 Å²	65.9	11%	0.107	33%	0.33	C	S	.	.			trans	-174.6	158.1	179.4	0	0	0	0	0	112.7	S430 M507 E537	S430-A539 WeakPolarHBondContact O-CB 3.35Å; M507-A539 WeakPolarHBondContact CE-O 2.96Å; E537-A539 PolarHBondContact O-N 3.35Å
540	P	61.5	Low	78.8	Confident	29 Å²	29	64.8 Å²	64.8	19%	0.188	33%	0.327	C	S	.	.			cis	-75.2	152.2	1.9	-14	28.8	0	0	0	114.4	T432 M507 H520 S542	T432-P540 HydrophobicContact CG2-CB 3.75Å; T432-P540 WeakPolarHBondContact OG1-CB 3.27Å; M507-P540 VanDerWaalsContact CE-CD 3.42Å; M507-P540 HydrophobicContact CG-CG 4.35Å; H520-P540 PolarHBondContact ND1-O 2.61Å; P540-S542 VanDerWaalsContact C-N 3.29Å; P540-S542 PolarHBondContact O-N 2.65Å
541	K	80.9	Confident	79.3	Confident	58 Å²	58	65.6 Å²	65.6	25%	0.252	34%	0.335	S	S	.	.			trans	-93.7	28.6	178.8	-59.6	-174.4	175.6	-165.8	0	112.9	T432 H520 S522	T432-K541 PolarHBondContact OG1-N 3.06Å; H520-K541 HydrophobicContact CB-CB 4.43Å; H520-K541 WeakPolarHBondContact CB-O 3.44Å; H520-K541 PolarHBondContact N-O 3.12Å; S522-K541 PolarHBondContact O-NZ 2.95Å; S522-K541 VanDerWaalsContact O-NZ 3.15Å
542	S	89.5	Confident	80	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	144.7	179	55	0	0	0	0	111	T432 Y441 I518 P540	T432-S542 VanDerWaalsContact CB-OG 3.31Å; T432-S542 WeakPolarHBondContact CB-OG 3.37Å; T432-S542 PolarHBondContact OG1-N 3.43Å; T432-S542 PolarHBondContact OG1-OG 3.35Å; Y441-S542 WeakPolarHBondContact CB-OG 3.4Å; I518-S542 CarbonylContact O-C 3.56Å; I518-S542 WeakPolarHBondContact O-CA 3.3Å; I518-S542 WeakPolarHBondContact O-CB 3.41Å; P540-S542 VanDerWaalsContact C-N 3.29Å; P540-S542 PolarHBondContact O-N 2.65Å
543	S	89.5	Confident	81	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.6	176.4	59.5	0	0	0	0	113.6	M507 I518 H520 M545	M507-S543 WeakPolarHBondContact O-CB 3.32Å; M507-S543 PolarHBondContact O-OG 2.81Å; I518-S543 PolarHBondContact N-O 2.83Å; I518-S543 PolarHBondContact O-N 3.45Å; H520-S543 PolarHBondContact NE2-N 2.9Å; H520-S543 PolarHBondContact NE2-OG 2.95Å; S543-M545 WeakPolarHBondContact OG-CE 3.37Å
544	C	92.9	Very high	82.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.3	177.1	-68.6	0	0	0	0	109.2	S489 C491 H509 Y510 F511 M516	S489-C544 PolarHBondContact O-SG 3.04Å; C491-C544 WeakPolarHBondContact CA-SG 3.32Å; C491-C544 HydrophobicContact CB-CB 3.52Å; C491-C544 WeakPolarHBondContact CB-SG 3.5Å; C491-C544 WeakPolarHBondContact SG-CA 3.41Å; C491-C544 WeakPolarHBondContact SG-CB 3.5Å; C491-C544 CovalentContact SG-SG 2.04Å; C491-C544 PolarHBondContact SG-SG 3.21Å; H509-C544 CarbonylContact C-O 3.49Å; H509-C544 WeakPolarHBondContact CA-O 3.35Å; H509-C544 PolarHBondContact ND1-N 3.43Å; Y510-C544 PolarHBondContact N-O 2.95Å; Y510-C544 CarbonylContact O-C 3.6Å; Y510-C544 VanDerWaalsContact O-CB 3.24Å; Y510-C544 WeakPolarHBondContact O-CB 3.15Å; F511-C544 HydrophobicContact CD1-CB 4.44Å; F511-C544 HydrophobicContact CE1-CB 4.26Å; M516-C544 WeakPolarHBondContact O-CA 3.41Å
545	M	92.8	Very high	83.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.7	-175.4	-59.6	-176.2	-177.3	0	0	110.2	S515 M516 I518 S543 L557 F559 I588	S515-M545 CarbonylContact C-O 3.42Å; S515-M545 VanDerWaalsContact CA-O 3.23Å; S515-M545 WeakPolarHBondContact CA-O 3.42Å; M516-M545 PolarHBondContact N-O 2.78Å; M516-M545 PolarHBondContact O-N 3.39Å; I518-M545 HydrophobicContact CB-CE 4.06Å; I518-M545 HydrophobicContact CB-CG 4.3Å; I518-M545 HydrophobicContact CB-SD 3.76Å; I518-M545 HydrophobicContact CG1-CB 4.11Å; I518-M545 HydrophobicContact CG1-CG 4.05Å; I518-M545 HydrophobicContact CG1-SD 3.65Å; I518-M545 HydrophobicContact CG2-CE 4.07Å; I518-M545 HydrophobicContact CG2-SD 3.99Å; S543-M545 WeakPolarHBondContact OG-CE 3.37Å; M545-L557 HydrophobicContact SD-CD1 4.11Å; M545-F559 HydrophobicContact CE-CE1 3.56Å; M545-F559 HydrophobicContact CE-CZ 4.12Å; M545-F559 HydrophobicContact CG-CE1 4.38Å; M545-F559 HydrophobicContact SD-CD1 4.36Å; M545-F559 HydrophobicContact SD-CE1 3.35Å; M545-F559 WeakPolarHBondContact SD-CE1 3.44Å; M545-F559 HydrophobicContact SD-CZ 3.52Å; M545-F559 VanDerWaalsContact SD-CZ 3.52Å; M545-I588 HydrophobicContact CE-CG2 3.89Å
546	N	95.1	Very high	84.9	Confident	31 Å²	31	41.9 Å²	41.9	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	148.8	170.1	-160.5	27.4	0	0	0	109.8	Y510 S514 I558	Y510-N546 HydrophobicContact CD1-CB 3.57Å; Y510-N546 HydrophobicContact CE1-CB 3.76Å; Y510-N546 HydrophobicContact CG-CB 4.31Å; S514-N546 PolarHBondContact O-OD1 2.92Å; N546-I558 HydrophobicContact CB-CB 4.23Å; N546-I558 PolarHBondContact O-N 2.89Å
547	H	95.2	Very high	86.6	Confident	32 Å²	32	38 Å²	38	15%	0.148	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.3	175.4	73.9	-80.6	0	0	0	111.9	S514 L555 I556 L557 I596	S514-H547 PolarHBondContact O-CE1 2.8Å; S514-H547 PolarHBondContact O-N 3.18Å; S514-H547 PolarHBondContact O-ND1 2.85Å; H547-L555 HydrophobicContact CB-CD1 3.82Å; H547-I556 CarbonylContact C-O 3.58Å; H547-I556 WeakPolarHBondContact CA-O 3.46Å; H547-I556 WeakPolarHBondContact CB-O 3.36Å; H547-L557 HydrophobicContact CB-CD2 3.94Å; H547-I596 WeakPolarHBondContact NE2-CG2 3.39Å
548	I	95.7	Very high	88	Confident	72 Å²	72	36.8 Å²	36.8	37%	0.369	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.8	167.3	60.2	176.6	0	0	0	109.4	I556 I558	I548-I556 HydrophobicContact CD1-CB 4.39Å; I548-I556 HydrophobicContact CD1-CD1 4.21Å; I548-I556 HydrophobicContact CG1-CB 3.75Å; I548-I556 HydrophobicContact CG1-CD1 4.24Å; I548-I556 HydrophobicContact CG1-CG1 4.42Å; I548-I556 HydrophobicContact CG1-CG2 4.3Å; I548-I556 PolarHBondContact N-O 2.92Å; I548-I556 PolarHBondContact O-N 3.06Å; I548-I558 HydrophobicContact CD1-CD1 4.35Å; I548-I558 HydrophobicContact CG1-CD1 4.24Å; I548-I558 HydrophobicContact CG2-CD1 3.74Å
549	C	95.7	Very high	89.5	Confident	66 Å²	66	32.8 Å²	32.8	45%	0.446	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	175.9	-66.5	0	0	0	0	109.1	G554 C597	C549-G554 WeakPolarHBondContact CA-O 3.25Å; C549-C597 HydrophobicContact CB-CB 3.7Å; C549-C597 WeakPolarHBondContact CB-SG 3.15Å; C549-C597 WeakPolarHBondContact SG-CA 3.49Å; C549-C597 WeakPolarHBondContact SG-CB 3.41Å; C549-C597 CovalentContact SG-SG 2.04Å; C549-C597 PolarHBondContact SG-SG 2.85Å
550	S	94.8	Very high	90.4	Very high	25 Å²	25	36.4 Å²	36.4	18%	0.175	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.3	175.3	171.6	0	0	0	0	109.6	S552 E553 G554	S550-S552 PolarHBondContact O-N 2.74Å; S550-S552 PolarHBondContact OG-N 2.77Å; S550-S552 PolarHBondContact OG-OG 2.97Å; S550-S552 VanDerWaalsContact OG-OG 3.04Å; S550-E553 PolarHBondContact OG-N 3.17Å; S550-G554 PolarHBondContact N-O 3.14Å; S550-G554 WeakPolarHBondContact O-CA 3.35Å; S550-G554 PolarHBondContact O-N 2.94Å
551	E	92.1	Very high	91.2	Very high	128 Å²	128	43 Å²	43	60%	0.598	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.4	175.7	-64.1	-167.8	-172.6	0	0	112.1	K599 P601	E551-K599 VanDerWaalsContact CD-CD 3.41Å; E551-K599 HydrophobicContact CG-CB 4.17Å; E551-K599 HydrophobicContact CG-CD 3.84Å; E551-K599 WeakPolarHBondContact OE1-CD 3.22Å; E551-K599 WeakPolarHBondContact OE1-CE 3.41Å; E551-K599 IonicContact OE1-NZ 3.78Å; E551-K599 PolarHBondContact OE1-NZ 3.32Å; E551-K599 IonicContact OE2-NZ 3.89Å; E551-K599 PolarHBondContact OE2-NZ 3.17Å; E551-P601 WeakPolarHBondContact O-CG 3.41Å
552	S	93.2	Very high	91.4	Very high	93 Å²	93	45 Å²	45	65%	0.65	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-31.1	-178.2	54.4	0	0	0	0	114	S550 P601	S550-S552 PolarHBondContact O-N 2.74Å; S550-S552 PolarHBondContact OG-N 2.77Å; S550-S552 PolarHBondContact OG-OG 2.97Å; S550-S552 VanDerWaalsContact OG-OG 3.04Å; S552-P601 VanDerWaalsContact C-CG 3.42Å; S552-P601 WeakPolarHBondContact O-CG 3.46Å
553	E	92.9	Very high	91.5	Very high	92 Å²	92	51 Å²	51	43%	0.43	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-17.6	-174.5	-65.3	174.1	117	0	0	113.2	S550 I556 V565	S550-E553 PolarHBondContact OG-N 3.17Å; E553-I556 HydrophobicContact CB-CD1 4.15Å; E553-I556 HydrophobicContact CB-CG1 4.43Å; E553-V565 HydrophobicContact CB-CG1 4.08Å; E553-V565 WeakPolarHBondContact O-CG1 3.45Å
554	G	95	Very high	91.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.7	-130.7	-178.3	0	0	0	0	0	112.7	C549 S550 C593	C549-G554 WeakPolarHBondContact CA-O 3.25Å; S550-G554 PolarHBondContact N-O 3.14Å; S550-G554 WeakPolarHBondContact O-CA 3.35Å; S550-G554 PolarHBondContact O-N 2.94Å; G554-C593 WeakPolarHBondContact CA-SG 3.08Å
555	L	96.1	Very high	91.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124	-176.2	173.2	64.9	0	0	0	110.2	M516 H547 L557 C566 P591 C593 I596	M516-L555 HydrophobicContact CE-CD1 4.28Å; M516-L555 HydrophobicContact CE-CD2 3.86Å; H547-L555 HydrophobicContact CB-CD1 3.82Å; L555-L557 HydrophobicContact CD1-CD2 4.39Å; L555-L557 HydrophobicContact CG-CD2 4.45Å; L555-C566 HydrophobicContact CB-CB 4.08Å; L555-C566 HydrophobicContact CD2-CB 4.07Å; L555-C566 HydrophobicContact CG-CB 4.1Å; L555-C566 WeakPolarHBondContact O-CB 3.43Å; L555-C566 PolarHBondContact O-N 3.02Å; L555-P591 HydrophobicContact CD2-CG 3.79Å; L555-C593 HydrophobicContact CB-CB 4.38Å; L555-I596 HydrophobicContact CD1-CB 4.46Å; L555-I596 HydrophobicContact CD1-CG2 4.02Å; L555-I596 HydrophobicContact CD2-CG1 4.3Å
556	I	95.6	Very high	91.8	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.7	177.4	-50.9	174.3	0	0	0	108.4	H547 I548 E553 E563 L564 V565	H547-I556 CarbonylContact C-O 3.58Å; H547-I556 WeakPolarHBondContact CA-O 3.46Å; H547-I556 WeakPolarHBondContact CB-O 3.36Å; I548-I556 HydrophobicContact CD1-CB 4.39Å; I548-I556 HydrophobicContact CD1-CD1 4.21Å; I548-I556 HydrophobicContact CG1-CB 3.75Å; I548-I556 HydrophobicContact CG1-CD1 4.24Å; I548-I556 HydrophobicContact CG1-CG1 4.42Å; I548-I556 HydrophobicContact CG1-CG2 4.3Å; I548-I556 PolarHBondContact N-O 2.92Å; I548-I556 PolarHBondContact O-N 3.06Å; E553-I556 HydrophobicContact CB-CD1 4.15Å; E553-I556 HydrophobicContact CB-CG1 4.43Å; I556-E563 HydrophobicContact CG2-CB 3.73Å; I556-E563 HydrophobicContact CG2-CG 4.12Å; I556-L564 WeakPolarHBondContact CA-O 3.5Å; I556-V565 HydrophobicContact CG1-CG2 4.27Å
557	L	94.7	Very high	91.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.3	174.1	-58	179.8	0	0	0	109.7	M516 I518 M545 H547 L555 F559 E563 L564 I588	M516-L557 HydrophobicContact CE-CD2 4.04Å; I518-L557 HydrophobicContact CD1-CD1 4.17Å; I518-L557 HydrophobicContact CD1-CD2 4.14Å; I518-L557 HydrophobicContact CG1-CD1 4.17Å; I518-L557 HydrophobicContact CG1-CD2 4.33Å; M545-L557 HydrophobicContact SD-CD1 4.11Å; H547-L557 HydrophobicContact CB-CD2 3.94Å; L555-L557 HydrophobicContact CD1-CD2 4.39Å; L555-L557 HydrophobicContact CG-CD2 4.45Å; L557-F559 HydrophobicContact CB-CD2 4.42Å; L557-F559 HydrophobicContact CB-CE2 3.66Å; L557-F559 HydrophobicContact CB-CZ 4.08Å; L557-F559 HydrophobicContact CD1-CE2 4.49Å; L557-F559 HydrophobicContact CD1-CZ 4.25Å; L557-E563 WeakPolarHBondContact O-CA 3.29Å; L557-L564 HydrophobicContact CB-CB 4.47Å; L557-L564 PolarHBondContact N-O 3.41Å; L557-L564 PolarHBondContact O-N 3.45Å; L557-I588 HydrophobicContact CD1-CD1 3.39Å
558	I	92.1	Very high	91.6	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.195	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.2	-178.4	-59	169.1	0	0	0	109	N546 I548 Q560 K562 E563	N546-I558 HydrophobicContact CB-CB 4.23Å; N546-I558 PolarHBondContact O-N 2.89Å; I548-I558 HydrophobicContact CD1-CD1 4.35Å; I548-I558 HydrophobicContact CG1-CD1 4.24Å; I548-I558 HydrophobicContact CG2-CD1 3.74Å; I558-Q560 WeakPolarHBondContact CG2-O 3.14Å; I558-K562 WeakPolarHBondContact CA-O 3.39Å; I558-E563 HydrophobicContact CG1-CG 4.47Å
559	F	84.9	Confident	91.4	Very high	8 Å²	8	61 Å²	61	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	92.8	177.4	-60.9	-86.7	0	0	0	109.4	L508 M545 L557 D561 K562 L564 F575 I588	L508-F559 HydrophobicContact CD1-CD1 3.78Å; L508-F559 HydrophobicContact CD1-CE1 4.37Å; M545-F559 HydrophobicContact CE-CE1 3.56Å; M545-F559 HydrophobicContact CE-CZ 4.12Å; M545-F559 HydrophobicContact CG-CE1 4.38Å; M545-F559 HydrophobicContact SD-CD1 4.36Å; M545-F559 HydrophobicContact SD-CE1 3.35Å; M545-F559 WeakPolarHBondContact SD-CE1 3.44Å; M545-F559 HydrophobicContact SD-CZ 3.52Å; M545-F559 VanDerWaalsContact SD-CZ 3.52Å; L557-F559 HydrophobicContact CB-CD2 4.42Å; L557-F559 HydrophobicContact CB-CE2 3.66Å; L557-F559 HydrophobicContact CB-CZ 4.08Å; L557-F559 HydrophobicContact CD1-CE2 4.49Å; L557-F559 HydrophobicContact CD1-CZ 4.25Å; F559-D561 PolarHBondContact O-N 3.08Å; F559-K562 HydrophobicContact CB-CB 4.38Å; F559-K562 PolarHBondContact N-O 2.94Å; F559-K562 PolarHBondContact O-N 3.11Å; F559-L564 HydrophobicContact CD2-CB 3.99Å; F559-L564 HydrophobicContact CE2-CB 3.5Å; F559-L564 HydrophobicContact CE2-CD2 3.65Å; F559-L564 HydrophobicContact CE2-CG 4.22Å; F559-L564 HydrophobicContact CZ-CD2 4.06Å; F559-F575 HydrophobicContact CE1-CZ 4.28Å; F559-I588 HydrophobicContact CZ-CD1 3.9Å
560	Q	78.8	Confident	91.1	Very high	89 Å²	89	58.9 Å²	58.9	42%	0.416	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-110.3	-173.2	-54.9	174.2	-21.3	0	0	109.3	I558	I558-Q560 WeakPolarHBondContact CG2-O 3.14Å
561	D	77.7	Confident	90.9	Very high	168 Å²	168	64.5 Å²	64.5	90%	0.898	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	5.7	179.2	-52.5	-41.3	0	0	0	113.4	F559	F559-D561 PolarHBondContact O-N 3.08Å
562	K	85.6	Confident	90.8	Very high	98 Å²	98	64.3 Å²	64.3	43%	0.426	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.6	178.8	-68.7	-158.4	-175.4	-175.3	0	112	I558 F559 S576 L577	I558-K562 WeakPolarHBondContact CA-O 3.39Å; F559-K562 HydrophobicContact CB-CB 4.38Å; F559-K562 PolarHBondContact N-O 2.94Å; F559-K562 PolarHBondContact O-N 3.11Å; K562-S576 PolarHBondContact NZ-O 2.75Å; K562-L577 HydrophobicContact CB-CD1 4.26Å; K562-L577 HydrophobicContact CD-CD1 3.52Å; K562-L577 HydrophobicContact CG-CD1 3.8Å
563	E	91.8	Very high	90.6	Very high	128 Å²	128	61.1 Å²	61.1	60%	0.598	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.4	173.6	-67.7	-177.7	176.5	0	0	110.3	I556 L557 I558	I556-E563 HydrophobicContact CG2-CB 3.73Å; I556-E563 HydrophobicContact CG2-CG 4.12Å; L557-E563 WeakPolarHBondContact O-CA 3.29Å; I558-E563 HydrophobicContact CG1-CG 4.47Å
564	L	92.5	Very high	90.4	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.162	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.3	174.9	-169.8	74.8	0	0	0	109.1	I556 L557 F559 C566 I573 F575 I588	I556-L564 WeakPolarHBondContact CA-O 3.5Å; L557-L564 HydrophobicContact CB-CB 4.47Å; L557-L564 PolarHBondContact N-O 3.41Å; L557-L564 PolarHBondContact O-N 3.45Å; F559-L564 HydrophobicContact CD2-CB 3.99Å; F559-L564 HydrophobicContact CE2-CB 3.5Å; F559-L564 HydrophobicContact CE2-CD2 3.65Å; F559-L564 HydrophobicContact CE2-CG 4.22Å; F559-L564 HydrophobicContact CZ-CD2 4.06Å; L564-C566 PolarHBondContact O-N 2.98Å; L564-I573 HydrophobicContact CD1-CG2 3.91Å; L564-I573 HydrophobicContact CD2-CB 4.31Å; L564-I573 HydrophobicContact CD2-CD1 4.12Å; L564-I573 HydrophobicContact CD2-CG2 3.9Å; L564-I573 HydrophobicContact CG-CD1 4.28Å; L564-I573 HydrophobicContact CG-CG2 4.21Å; L564-F575 HydrophobicContact CD1-CB 4.36Å; L564-I588 HydrophobicContact CD2-CD1 3.52Å; L564-I588 HydrophobicContact CD2-CG1 4.26Å
565	V	93.7	Very high	90.1	Very high	66 Å²	66	62.2 Å²	62.2	40%	0.4	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.6	178.2	-174.7	0	0	0	0	109.4	E553 I556	E553-V565 HydrophobicContact CB-CG1 4.08Å; E553-V565 WeakPolarHBondContact O-CG1 3.45Å; I556-V565 HydrophobicContact CG1-CG2 4.27Å
566	C	94.8	Very high	89.8	Confident	2 Å²	2	66 Å²	66	1%	0.014	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-75.5	137	175.1	-76.6	0	0	0	0	111.1	L555 L564 I568 C590	L555-C566 HydrophobicContact CB-CB 4.08Å; L555-C566 HydrophobicContact CD2-CB 4.07Å; L555-C566 HydrophobicContact CG-CB 4.1Å; L555-C566 WeakPolarHBondContact O-CB 3.43Å; L555-C566 PolarHBondContact O-N 3.02Å; L564-C566 PolarHBondContact O-N 2.98Å; C566-I568 PolarHBondContact O-N 3.23Å; C566-C590 HydrophobicContact CB-CB 3.54Å; C566-C590 WeakPolarHBondContact CB-SG 3.47Å; C566-C590 WeakPolarHBondContact SG-CB 3.33Å; C566-C590 CovalentContact SG-SG 2.04Å; C566-C590 PolarHBondContact SG-SG 3.17Å
567	P	94.1	Very high	89.4	Confident	53 Å²	53	66.2 Å²	66.2	34%	0.344	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-53.7	138.5	168.7	-27.1	33.7	0	0	0	111.4	K569 G570 K571 I573	P567-K569 PolarHBondContact O-N 2.82Å; P567-K569 VanDerWaalsContact O-N 3.14Å; P567-G570 PolarHBondContact O-N 2.83Å; P567-K571 HydrophobicContact CB-CB 4.37Å; P567-K571 HydrophobicContact CG-CB 4.1Å; P567-I573 HydrophobicContact CG-CD1 4.28Å; P567-I573 HydrophobicContact CG-CG1 4.34Å
568	I	92.2	Very high	89.1	Confident	40 Å²	40	76.4 Å²	76.4	21%	0.205	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-40	-174.2	-61.2	168.7	0	0	0	112.3	C566 G570 C593 P601 N603	C566-I568 PolarHBondContact O-N 3.23Å; I568-G570 VanDerWaalsContact C-N 3.32Å; I568-C593 HydrophobicContact CG2-CB 4.47Å; I568-C593 PolarHBondContact O-N 2.93Å; I568-P601 HydrophobicContact CD1-CB 3.84Å; I568-P601 HydrophobicContact CD1-CG 4.25Å; I568-N603 WeakPolarHBondContact CB-OD1 3.39Å; I568-N603 WeakPolarHBondContact CG2-OD1 3.12Å
569	K	91.9	Very high	88.7	Confident	154 Å²	154	75.6 Å²	75.6	67%	0.67	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.4	179.1	-66	-172.4	-180	177.2	0	114.5	P567 N603	P567-K569 PolarHBondContact O-N 2.82Å; P567-K569 VanDerWaalsContact O-N 3.14Å; K569-N603 WeakPolarHBondContact CE-ND2 3.45Å
570	G	89.2	Confident	88.7	Confident	21 Å²	21	83.9 Å²	83.9	22%	0.216	41%	0.409	C	S	.	.			trans	74.9	137.1	-168.8	0	0	0	0	0	111.8	P567 I568 C590	P567-G570 PolarHBondContact O-N 2.83Å; I568-G570 VanDerWaalsContact C-N 3.32Å; G570-C590 CarbonylContact C-O 3.4Å; G570-C590 WeakPolarHBondContact CA-O 3.35Å
571	K	89.9	Confident	89	Confident	142 Å²	142	84.7 Å²	84.7	62%	0.617	41%	0.409	S	S	*	.			trans	-165.7	170.4	174.6	-146.9	-179.4	177.8	-176.5	0	109.9	P567 C590	P567-K571 HydrophobicContact CB-CB 4.37Å; P567-K571 HydrophobicContact CG-CB 4.1Å; K571-C590 PolarHBondContact N-O 2.98Å; K571-C590 WeakPolarHBondContact O-CB 3.39Å; K571-C590 PolarHBondContact O-N 3.45Å
572	Y	89.2	Confident	89.4	Confident	124 Å²	124	77.6 Å²	77.6	49%	0.486	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	138.5	165.3	-50.4	-87	0	0	0	110.6	D521 I588 I589	D521-Y572 HydrophobicContact CB-CD1 3.89Å; D521-Y572 HydrophobicContact CB-CE1 4.32Å; Y572-I588 CarbonylContact C-O 3.58Å; Y572-I588 WeakPolarHBondContact CA-O 3.48Å; Y572-I589 HydrophobicContact CD1-CD1 4.25Å; Y572-I589 HydrophobicContact CD1-CG1 3.69Å; Y572-I589 HydrophobicContact CE1-CD1 3.62Å; Y572-I589 HydrophobicContact CE1-CG1 3.59Å; Y572-I589 HydrophobicContact CE1-CG2 4.37Å
573	I	89.9	Confident	89.5	Confident	26 Å²	26	76 Å²	76	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.4	173	-56.3	176.8	0	0	0	109.1	L564 P567 S587 I588 C590	L564-I573 HydrophobicContact CD1-CG2 3.91Å; L564-I573 HydrophobicContact CD2-CB 4.31Å; L564-I573 HydrophobicContact CD2-CD1 4.12Å; L564-I573 HydrophobicContact CD2-CG2 3.9Å; L564-I573 HydrophobicContact CG-CD1 4.28Å; L564-I573 HydrophobicContact CG-CG2 4.21Å; P567-I573 HydrophobicContact CG-CD1 4.28Å; P567-I573 HydrophobicContact CG-CG1 4.34Å; I573-S587 WeakPolarHBondContact O-CA 3.44Å; I573-S587 PolarHBondContact O-OG 2.93Å; I573-I588 HydrophobicContact CB-CG1 4.32Å; I573-I588 PolarHBondContact N-O 3.32Å; I573-I588 PolarHBondContact O-N 3.27Å; I573-C590 HydrophobicContact CD1-CB 4.45Å; I573-C590 WeakPolarHBondContact CD1-SG 3.12Å
574	D	89.4	Confident	89.3	Confident	92 Å²	92	70 Å²	70	49%	0.492	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.7	168.5	-61.4	-44	0	0	0	110.4	R524 G586 S587	R524-D574 IonicContact CZ-OD1 3.12Å; R524-D574 IonicContact CZ-OD2 3.61Å; R524-D574 VanDerWaalsContact CZ-OD2 3.29Å; R524-D574 IonicContact NE-OD1 2.85Å; R524-D574 IonicContact NH1-OD1 3.91Å; R524-D574 PolarHBondContact NH1-OD1 2.62Å; R524-D574 IonicContact NH1-OD2 3.69Å; R524-D574 PolarHBondContact NH1-OD2 2.75Å; R524-D574 IonicContact NH2-OD2 3.68Å; R524-D574 PolarHBondContact NH2-OD2 3.04Å; D574-G586 WeakPolarHBondContact CA-O 3.16Å; D574-S587 WeakPolarHBondContact OD1-CB 3.4Å; D574-S587 PolarHBondContact OD1-OG 2.79Å
575	F	88.3	Confident	89.1	Confident	23 Å²	23	71.2 Å²	71.2	10%	0.101	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155	175.5	71.7	-84.3	0	0	0	111.5	L508 W526 F559 L564 L577 I584 N585 G586 I588	L508-F575 HydrophobicContact CD1-CE2 4.05Å; L508-F575 HydrophobicContact CD1-CZ 4.25Å; W526-F575 HydrophobicContact CH2-CE1 4.13Å; W526-F575 AromaticContact CH2-CZ 3.51Å; W526-F575 HydrophobicContact CH2-CZ 3.51Å; W526-F575 HydrophobicContact CZ2-CZ 4.3Å; W526-F575 AromaticContact CZ3-CE1 3.94Å; W526-F575 HydrophobicContact CZ3-CE1 3.94Å; W526-F575 AromaticContact CZ3-CZ 3.76Å; W526-F575 HydrophobicContact CZ3-CZ 3.76Å; F559-F575 HydrophobicContact CE1-CZ 4.28Å; L564-F575 HydrophobicContact CD1-CB 4.36Å; F575-L577 HydrophobicContact CD2-CB 4.33Å; F575-L577 HydrophobicContact CE2-CB 4.27Å; F575-I584 HydrophobicContact CE2-CG2 4.23Å; F575-I584 HydrophobicContact CZ-CG2 4.38Å; F575-N585 WeakPolarHBondContact O-CA 3.42Å; F575-G586 VanDerWaalsContact CD1-O 3.31Å; F575-G586 WeakPolarHBondContact CD1-O 3.2Å; F575-G586 PolarHBondContact N-O 3.47Å; F575-G586 PolarHBondContact O-N 3.27Å; F575-I588 HydrophobicContact CD1-CG1 4.48Å; F575-I588 HydrophobicContact CE1-CG2 3.9Å
576	S	89.6	Confident	88.8	Confident	79 Å²	79	68.3 Å²	68.3	55%	0.552	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.5	171.2	-63.9	0	0	0	0	110.2	K562 I584 N585	K562-S576 PolarHBondContact NZ-O 2.75Å; S576-I584 CarbonylContact C-O 3.42Å; S576-I584 WeakPolarHBondContact CA-O 3.4Å; S576-N585 WeakPolarHBondContact CB-OD1 3.37Å; S576-N585 PolarHBondContact OG-OD1 2.6Å
577	L	88.2	Confident	88.6	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.5	178.3	-175.7	68.8	0	0	0	109.7	L508 K562 F575 N583 I584	L508-L577 HydrophobicContact CD1-CD2 3.62Å; L508-L577 HydrophobicContact CD2-CD2 3.62Å; L508-L577 HydrophobicContact CG-CD2 4.28Å; K562-L577 HydrophobicContact CB-CD1 4.26Å; K562-L577 HydrophobicContact CD-CD1 3.52Å; K562-L577 HydrophobicContact CG-CD1 3.8Å; F575-L577 HydrophobicContact CD2-CB 4.33Å; F575-L577 HydrophobicContact CE2-CB 4.27Å; L577-N583 CarbonylContact O-C 3.56Å; L577-N583 VanDerWaalsContact O-CA 3.28Å; L577-N583 WeakPolarHBondContact O-CA 3.32Å; L577-I584 HydrophobicContact CB-CB 4.44Å; L577-I584 PolarHBondContact N-O 3.02Å; L577-I584 PolarHBondContact O-N 2.8Å
578	R	87.3	Confident	88.5	Confident	214 Å²	214	65.9 Å²	65.9	81%	0.808	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.4	166.5	-68.7	-173.7	-176.5	-177.2	0.8	107.7	N583	R578-N583 WeakPolarHBondContact CA-OD1 3.44Å
579	G	84	Confident	88.5	Confident	21 Å²	21	66.6 Å²	66.6	22%	0.216	32%	0.317	C	S	.	.			trans	-106.2	168.2	-179.4	0	0	0	0	0	112.3	Y581 F582	G579-Y581 VanDerWaalsContact C-N 3.29Å; G579-Y581 PolarHBondContact O-N 3.16Å; G579-F582 CarbonylContact C-O 3.54Å; G579-F582 WeakPolarHBondContact CA-O 3.23Å; G579-F582 PolarHBondContact N-O 3.02Å
580	K	84.6	Confident	88.6	Confident	182 Å²	182	59.4 Å²	59.4	79%	0.791	29%	0.286	S	S	*	.	S	Bend	trans	-60.3	-35.2	178.5	-177	178.2	179.9	179.2	0	113.7
581	Y	85	Confident	88.8	Confident	106 Å²	106	59.8 Å²	59.8	42%	0.416	29%	0.285	S	S	.	.	S	Bend	trans	-108.4	-27.5	-175.9	-60.3	-72.7	0	0	0	113.4	Q502 N503 G579	Q502-Y581 HydrophobicContact CB-CD2 4.03Å; Q502-Y581 HydrophobicContact CB-CE2 3.51Å; Q502-Y581 WeakPolarHBondContact O-CD2 3.25Å; N503-Y581 HydrophobicContact CB-CD1 3.85Å; N503-Y581 HydrophobicContact CB-CE1 3.96Å; N503-Y581 HydrophobicContact CB-CG 4.19Å; G579-Y581 VanDerWaalsContact C-N 3.29Å; G579-Y581 PolarHBondContact O-N 3.16Å
582	F	85.4	Confident	89	Confident	20 Å²	20	55.3 Å²	55.3	9%	0.088	27%	0.27	C	S	.	.			trans	-145.9	146.8	-171.7	-51.8	-81.4	0	0	0	110.4	N503 V528 I529 R530 G579 I584	N503-F582 WeakPolarHBondContact O-CZ 3.4Å; V528-F582 HydrophobicContact CG1-CB 4.12Å; V528-F582 HydrophobicContact CG1-CD1 3.5Å; V528-F582 HydrophobicContact CG1-CE1 4.16Å; V528-F582 HydrophobicContact CG1-CG 4.05Å; I529-F582 WeakPolarHBondContact O-CA 3.41Å; R530-F582 HydrophobicContact CB-CD1 3.85Å; R530-F582 HydrophobicContact CB-CE1 4.07Å; R530-F582 HydrophobicContact CG-CD1 4.13Å; R530-F582 HydrophobicContact CG-CE1 4.01Å; G579-F582 CarbonylContact C-O 3.54Å; G579-F582 WeakPolarHBondContact CA-O 3.23Å; G579-F582 PolarHBondContact N-O 3.02Å; F582-I584 HydrophobicContact CB-CG1 4.29Å
583	N	88.4	Confident	89.2	Confident	64 Å²	64	49.4 Å²	49.4	34%	0.342	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.4	156.3	-56.2	-43.9	0	0	0	108.5	I529 L577 R578	I529-N583 HydrophobicContact CB-CB 4.21Å; I529-N583 PolarHBondContact N-O 2.89Å; I529-N583 PolarHBondContact O-N 3.03Å; L577-N583 CarbonylContact O-C 3.56Å; L577-N583 VanDerWaalsContact O-CA 3.28Å; L577-N583 WeakPolarHBondContact O-CA 3.32Å; R578-N583 WeakPolarHBondContact CA-OD1 3.44Å
584	I	88.3	Confident	89.4	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.7	-176.4	-64.5	160.5	0	0	0	108.8	Y506 L508 W526 E527 F575 S576 L577 F582	Y506-I584 VanDerWaalsContact O-CD1 3.24Å; Y506-I584 WeakPolarHBondContact O-CD1 3.32Å; L508-I584 HydrophobicContact CD1-CD1 3.91Å; L508-I584 HydrophobicContact CD2-CD1 3.58Å; L508-I584 HydrophobicContact CG-CD1 3.68Å; W526-I584 HydrophobicContact CD2-CG2 4.33Å; W526-I584 HydrophobicContact CH2-CG2 4.37Å; W526-I584 HydrophobicContact CZ2-CG2 3.67Å; E527-I584 VanDerWaalsContact O-CA 3.31Å; E527-I584 WeakPolarHBondContact O-CA 3.46Å; F575-I584 HydrophobicContact CE2-CG2 4.23Å; F575-I584 HydrophobicContact CZ-CG2 4.38Å; S576-I584 CarbonylContact C-O 3.42Å; S576-I584 WeakPolarHBondContact CA-O 3.4Å; L577-I584 HydrophobicContact CB-CB 4.44Å; L577-I584 PolarHBondContact N-O 3.02Å; L577-I584 PolarHBondContact O-N 2.8Å; F582-I584 HydrophobicContact CB-CG1 4.29Å
585	N	88	Confident	89.5	Confident	55 Å²	55	58 Å²	58	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.4	160.5	-60.8	-36.3	0	0	0	107.5	E527 F575 S576	E527-N585 HydrophobicContact CB-CB 4.22Å; E527-N585 PolarHBondContact N-O 2.86Å; E527-N585 PolarHBondContact O-N 2.9Å; E527-N585 PolarHBondContact OE2-ND2 2.9Å; F575-N585 WeakPolarHBondContact O-CA 3.42Å; S576-N585 WeakPolarHBondContact CB-OD1 3.37Å; S576-N585 PolarHBondContact OG-OD1 2.6Å
586	G	88.2	Confident	89.7	Confident	6 Å²	6	60.1 Å²	60.1	6%	0.062	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164	-175.3	0	0	0	0	0	112	D574 F575	D574-G586 WeakPolarHBondContact CA-O 3.16Å; F575-G586 VanDerWaalsContact CD1-O 3.31Å; F575-G586 WeakPolarHBondContact CD1-O 3.2Å; F575-G586 PolarHBondContact N-O 3.47Å; F575-G586 PolarHBondContact O-N 3.27Å
587	S	89.9	Confident	89.9	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.1	174.9	-156.1	0	0	0	0	109.9	H520 D521 R524 I573 D574	H520-S587 WeakPolarHBondContact CA-O 3.43Å; D521-S587 PolarHBondContact N-O 2.77Å; R524-S587 VanDerWaalsContact CD-OG 3.31Å; R524-S587 WeakPolarHBondContact CD-OG 3.35Å; R524-S587 PolarHBondContact NH1-OG 2.91Å; I573-S587 WeakPolarHBondContact O-CA 3.44Å; I573-S587 PolarHBondContact O-OG 2.93Å; D574-S587 WeakPolarHBondContact OD1-CB 3.4Å; D574-S587 PolarHBondContact OD1-OG 2.79Å
588	I	91.6	Very high	90.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.3	-176.2	55.4	162.3	0	0	0	111.6	I518 W526 M545 L557 F559 L564 Y572 I573 F575	I518-I588 HydrophobicContact CG2-CB 3.8Å; I518-I588 HydrophobicContact CG2-CD1 4.37Å; I518-I588 HydrophobicContact CG2-CG2 3.96Å; W526-I588 HydrophobicContact CZ3-CG2 4.24Å; M545-I588 HydrophobicContact CE-CG2 3.89Å; L557-I588 HydrophobicContact CD1-CD1 3.39Å; F559-I588 HydrophobicContact CZ-CD1 3.9Å; L564-I588 HydrophobicContact CD2-CD1 3.52Å; L564-I588 HydrophobicContact CD2-CG1 4.26Å; Y572-I588 CarbonylContact C-O 3.58Å; Y572-I588 WeakPolarHBondContact CA-O 3.48Å; I573-I588 HydrophobicContact CB-CG1 4.32Å; I573-I588 PolarHBondContact N-O 3.32Å; I573-I588 PolarHBondContact O-N 3.27Å; F575-I588 HydrophobicContact CD1-CG1 4.48Å; F575-I588 HydrophobicContact CE1-CG2 3.9Å
589	I	92.5	Very high	90.3	Very high	54 Å²	54	62.4 Å²	62.4	28%	0.277	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98.7	175.8	-46.1	-176.4	0	0	0	108.1	N519 Y572	N519-I589 HydrophobicContact CB-CB 4.35Å; N519-I589 HydrophobicContact CB-CD1 4.15Å; N519-I589 HydrophobicContact CB-CG1 4.38Å; N519-I589 PolarHBondContact O-N 2.84Å; Y572-I589 HydrophobicContact CD1-CD1 4.25Å; Y572-I589 HydrophobicContact CD1-CG1 3.69Å; Y572-I589 HydrophobicContact CE1-CD1 3.62Å; Y572-I589 HydrophobicContact CE1-CG1 3.59Å; Y572-I589 HydrophobicContact CE1-CG2 4.37Å
590	C	93.4	Very high	90.6	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.02	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.1	129.9	174.4	-81.7	0	0	0	0	110.5	C566 G570 K571 I573	C566-C590 HydrophobicContact CB-CB 3.54Å; C566-C590 WeakPolarHBondContact CB-SG 3.47Å; C566-C590 WeakPolarHBondContact SG-CB 3.33Å; C566-C590 CovalentContact SG-SG 2.04Å; C566-C590 PolarHBondContact SG-SG 3.17Å; G570-C590 CarbonylContact C-O 3.4Å; G570-C590 WeakPolarHBondContact CA-O 3.35Å; K571-C590 PolarHBondContact N-O 2.98Å; K571-C590 WeakPolarHBondContact O-CB 3.39Å; K571-C590 PolarHBondContact O-N 3.45Å; I573-C590 HydrophobicContact CD1-CB 4.45Å; I573-C590 WeakPolarHBondContact CD1-SG 3.12Å
591	P	93.4	Very high	90.9	Very high	30 Å²	30	55.1 Å²	55.1	20%	0.195	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.7	157.2	168.7	30	-33.3	0	0	0	110.4	M516 I518 L555 C593 I596	M516-P591 HydrophobicContact CE-CG 3.54Å; I518-P591 HydrophobicContact CD1-CG 4.46Å; L555-P591 HydrophobicContact CD2-CG 3.79Å; P591-C593 PolarHBondContact O-N 3.15Å; P591-I596 HydrophobicContact CB-CG1 4.26Å; P591-I596 HydrophobicContact CG-CD1 4.23Å; P591-I596 HydrophobicContact CG-CG1 3.78Å
592	P	93.7	Very high	90.8	Very high	47 Å²	47	55.2 Å²	55.2	31%	0.305	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-53.3	137.3	167.8	-22	31.4	0	0	0	111.2	R594 D595	P592-R594 PolarHBondContact O-N 3.35Å; P592-R594 VanDerWaalsContact O-N 3.16Å; P592-D595 WeakPolarHBondContact CD-OD2 3.34Å; P592-D595 WeakPolarHBondContact CG-OD2 3.25Å; P592-D595 WeakPolarHBondContact O-CB 3.28Å; P592-D595 PolarHBondContact O-N 3.32Å
593	C	94.7	Very high	89.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	31%	0.314	C	S	.	.	H	α-helix	trans	-55.4	-40.3	-177.1	176	0	0	0	0	112	G554 L555 I568 P591 D595 I596 C597 C600	G554-C593 WeakPolarHBondContact CA-SG 3.08Å; L555-C593 HydrophobicContact CB-CB 4.38Å; I568-C593 HydrophobicContact CG2-CB 4.47Å; I568-C593 PolarHBondContact O-N 2.93Å; P591-C593 PolarHBondContact O-N 3.15Å; C593-D595 PolarHBondContact O-N 3.08Å; C593-I596 PolarHBondContact O-N 2.96Å; C593-I596 VanDerWaalsContact O-N 3.11Å; C593-C597 WeakPolarHBondContact O-CB 3.25Å; C593-C597 PolarHBondContact O-N 2.84Å; C593-C600 HydrophobicContact CB-CB 3.93Å; C593-C600 WeakPolarHBondContact CB-SG 3.48Å; C593-C600 PolarHBondContact O-SG 2.88Å; C593-C600 VanDerWaalsContact O-SG 3.39Å; C593-C600 WeakPolarHBondContact SG-CB 3.41Å; C593-C600 CovalentContact SG-SG 2.04Å; C593-C600 PolarHBondContact SG-SG 2.86Å
594	R	93.1	Very high	89.8	Confident	182 Å²	182	61.1 Å²	61.1	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-68	-16.5	-177.5	-65.2	-175.6	180	-169.2	-1.4	114.2	P592 I596 C600	P592-R594 PolarHBondContact O-N 3.35Å; P592-R594 VanDerWaalsContact O-N 3.16Å; R594-I596 VanDerWaalsContact C-N 3.26Å; R594-C600 HydrophobicContact CG-CB 4.31Å; R594-C600 PolarHBondContact N-SG 2.96Å
595	D	91.6	Very high	89.9	Confident	117 Å²	117	64.2 Å²	64.2	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-77.2	-20.4	176.8	-65.6	-5	0	0	0	111.3	P592 C593	P592-D595 WeakPolarHBondContact CD-OD2 3.34Å; P592-D595 WeakPolarHBondContact CG-OD2 3.25Å; P592-D595 WeakPolarHBondContact O-CB 3.28Å; P592-D595 PolarHBondContact O-N 3.32Å; C593-D595 PolarHBondContact O-N 3.08Å
596	I	92.1	Very high	90	Very high	66 Å²	66	64.7 Å²	64.7	34%	0.338	33%	0.331	S	S	.	.	H	α-helix	trans	-117.5	-50	-173.2	-53	-58.7	0	0	0	111.4	M516 H547 L555 P591 C593 R594	M516-I596 HydrophobicContact CE-CD1 4.15Å; M516-I596 HydrophobicContact CE-CG1 3.96Å; M516-I596 HydrophobicContact CE-CG2 4.39Å; M516-I596 HydrophobicContact SD-CB 4.46Å; M516-I596 HydrophobicContact SD-CD1 3.76Å; M516-I596 HydrophobicContact SD-CG1 3.95Å; M516-I596 HydrophobicContact SD-CG2 3.66Å; H547-I596 WeakPolarHBondContact NE2-CG2 3.39Å; L555-I596 HydrophobicContact CD1-CB 4.46Å; L555-I596 HydrophobicContact CD1-CG2 4.02Å; L555-I596 HydrophobicContact CD2-CG1 4.3Å; P591-I596 HydrophobicContact CB-CG1 4.26Å; P591-I596 HydrophobicContact CG-CD1 4.23Å; P591-I596 HydrophobicContact CG-CG1 3.78Å; C593-I596 PolarHBondContact O-N 2.96Å; C593-I596 VanDerWaalsContact O-N 3.11Å; R594-I596 VanDerWaalsContact C-N 3.26Å
597	C	94.2	Very high	90.1	Very high	6 Å²	6	68.1 Å²	68.1	4%	0.041	35%	0.346	C	S	.	.			trans	-95.4	137.8	-172.8	-63.2	0	0	0	0	112	C549 C593 K599	C549-C597 HydrophobicContact CB-CB 3.7Å; C549-C597 WeakPolarHBondContact CB-SG 3.15Å; C549-C597 WeakPolarHBondContact SG-CA 3.49Å; C549-C597 WeakPolarHBondContact SG-CB 3.41Å; C549-C597 CovalentContact SG-SG 2.04Å; C549-C597 PolarHBondContact SG-SG 2.85Å; C593-C597 WeakPolarHBondContact O-CB 3.25Å; C593-C597 PolarHBondContact O-N 2.84Å; C597-K599 VanDerWaalsContact C-N 3.31Å; C597-K599 PolarHBondContact O-N 3.18Å
598	K	91.9	Very high	90.1	Very high	218 Å²	218	72.1 Å²	72.1	95%	0.948	37%	0.366	S	S	*	.	S	Bend	trans	-66.4	-32.9	176.9	-68.1	-178.6	179.7	176.2	0	113.1
599	K	91.6	Very high	90	Very high	125 Å²	125	76.9 Å²	76.9	54%	0.543	39%	0.391	S	S	.	.			trans	-127.5	134.7	177.5	-68	-178.7	178.5	-174.7	0	108	E551 C597	E551-K599 VanDerWaalsContact CD-CD 3.41Å; E551-K599 HydrophobicContact CG-CB 4.17Å; E551-K599 HydrophobicContact CG-CD 3.84Å; E551-K599 WeakPolarHBondContact OE1-CD 3.22Å; E551-K599 WeakPolarHBondContact OE1-CE 3.41Å; E551-K599 IonicContact OE1-NZ 3.78Å; E551-K599 PolarHBondContact OE1-NZ 3.32Å; E551-K599 IonicContact OE2-NZ 3.89Å; E551-K599 PolarHBondContact OE2-NZ 3.17Å; C597-K599 VanDerWaalsContact C-N 3.31Å; C597-K599 PolarHBondContact O-N 3.18Å
600	C	91.8	Very high	89.8	Confident	27 Å²	27	78.6 Å²	78.6	18%	0.182	40%	0.399	C	S	.	.			trans	-138.1	152.3	175.9	-64.1	0	0	0	0	107.8	C593 R594	C593-C600 HydrophobicContact CB-CB 3.93Å; C593-C600 WeakPolarHBondContact CB-SG 3.48Å; C593-C600 PolarHBondContact O-SG 2.88Å; C593-C600 VanDerWaalsContact O-SG 3.39Å; C593-C600 WeakPolarHBondContact SG-CB 3.41Å; C593-C600 CovalentContact SG-SG 2.04Å; C593-C600 PolarHBondContact SG-SG 2.86Å; R594-C600 HydrophobicContact CG-CB 4.31Å; R594-C600 PolarHBondContact N-SG 2.96Å
601	P	90	Very high	89.6	Confident	23 Å²	23	84.4 Å²	84.4	15%	0.149	43%	0.428	C	S	.	.			trans	-54.5	143.7	172.7	-20.5	29.9	0	0	0	110.8	E551 S552 I568 N603	E551-P601 WeakPolarHBondContact O-CG 3.41Å; S552-P601 VanDerWaalsContact C-CG 3.42Å; S552-P601 WeakPolarHBondContact O-CG 3.46Å; I568-P601 HydrophobicContact CD1-CB 3.84Å; I568-P601 HydrophobicContact CD1-CG 4.25Å; P601-N603 PolarHBondContact O-N 2.76Å
602	S	83.4	Confident	89.3	Confident	108 Å²	108	88.9 Å²	88.9	76%	0.755	45%	0.447	S	S	*	.			trans	-62.7	130.3	163.1	40.2	0	0	0	0	108.5
603	N	62.9	Low	88.8	Confident	147 Å²	147	92.7 Å²	92.7	79%	0.786	46%	0.46	S	S	*	.			trans	-58.4	0	175.4	-85.6	-38.2	0	0	0	112	I568 K569 P601	I568-N603 WeakPolarHBondContact CB-OD1 3.39Å; I568-N603 WeakPolarHBondContact CG2-OD1 3.12Å; K569-N603 WeakPolarHBondContact CE-ND2 3.45Å; P601-N603 PolarHBondContact O-N 2.76Å

Retrieved 603 of 603 residues in 1227.1 ms (Link to these results)

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