A0A077YXH3_TRITR Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A077YXH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 771 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.4	Very low	47.7	Very low	241 Å²	241	82.5 Å²	82.5	100%	1.187	52%	0.52	S	S	*	.				0	96.1	0	-67.5	-179.2	-174.1	0	0	106.5
2	V	22.4	Very low	50.2	Low	141 Å²	141	77.8 Å²	77.8	86%	0.855	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-102	118.5	177.2	-178.2	0	0	0	0	105.7	A4	V2-A4 PolarHBondContact O-N 3.47Å
3	P	25.2	Very low	52.3	Low	107 Å²	107	79.9 Å²	79.9	70%	0.695	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-66.2	129.3	-177.1	-13.8	27.9	0	0	0	109.6	A5	P3-A5 PolarHBondContact O-N 3.33Å
4	A	26.5	Very low	54.1	Low	56 Å²	56	79.4 Å²	79.4	46%	0.463	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-59.4	129.9	176.2	0	0	0	0	0	110.2	V2 L6	V2-A4 PolarHBondContact O-N 3.47Å; A4-L6 PolarHBondContact O-N 2.96Å
5	A	30.7	Very low	55.4	Low	94 Å²	94	75.3 Å²	75.3	78%	0.777	46%	0.457	S	S	*	.			trans	-61.2	115.9	160.2	0	0	0	0	0	107.1	P3	P3-A5 PolarHBondContact O-N 3.33Å
6	L	42.8	Very low	56	Low	85 Å²	85	74 Å²	74	45%	0.445	46%	0.463	S	S	.	.			trans	-92.9	99.9	176.9	-75.2	153	0	0	0	106.4	A4 A45 T46	A4-L6 PolarHBondContact O-N 2.96Å; L6-A45 HydrophobicContact CD1-CB 3.52Å; L6-T46 PolarHBondContact O-OG1 3.37Å; L6-T46 VanDerWaalsContact O-OG1 3.1Å
7	G	55.6	Low	56	Low	34 Å²	34	74.8 Å²	74.8	35%	0.351	47%	0.472	S	S	.	.			trans	-78.3	162.8	166.2	0	0	0	0	0	109.6	E73	G7-E73 WeakPolarHBondContact CA-OE2 3.05Å; G7-E73 PolarHBondContact N-OE2 2.96Å; G7-E73 WeakPolarHBondContact O-CB 3.19Å
8	G	66.3	Low	55.3	Low	12 Å²	12	75.2 Å²	75.2	12%	0.124	49%	0.493	C	S	.	.			trans	-114.1	164.3	158.6	0	0	0	0	0	108.1	W51 F71	G8-W51 PolarHBondContact O-NE1 2.78Å; G8-F71 CarbonylContact C-O 3.57Å; G8-F71 VanDerWaalsContact CA-O 3.3Å; G8-F71 WeakPolarHBondContact CA-O 3.49Å
9	T	73	Confident	54.7	Low	55 Å²	55	73.2 Å²	73.2	34%	0.337	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.8	176.3	-56.4	0	0	0	0	109.7	V11 F71	T9-V11 HydrophobicContact CG2-CG2 4.28Å; T9-F71 PolarHBondContact N-O 3.01Å; T9-F71 PolarHBondContact O-N 3.06Å
10	L	76	Confident	54.3	Low	22 Å²	22	80.8 Å²	80.8	12%	0.115	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	173.9	177	73.8	0	0	0	109.7	V32 W51 F68 V70 L123	L10-V32 HydrophobicContact CD1-CG1 4.24Å; L10-V32 HydrophobicContact CD2-CB 3.65Å; L10-V32 HydrophobicContact CD2-CG1 3.39Å; L10-V32 HydrophobicContact CD2-CG2 3.84Å; L10-V32 HydrophobicContact CG-CG1 4.46Å; L10-W51 HydrophobicContact CB-CD2 4.13Å; L10-W51 HydrophobicContact CB-CG 4.28Å; L10-W51 HydrophobicContact CB-CZ2 4.44Å; L10-W51 HydrophobicContact CD2-CB 4.39Å; L10-W51 HydrophobicContact CD2-CD2 4.44Å; L10-W51 HydrophobicContact CD2-CG 4.38Å; L10-F68 HydrophobicContact CD1-CB 4.31Å; L10-F68 HydrophobicContact CD1-CD1 4.32Å; L10-V70 HydrophobicContact CD1-CG2 3.85Å; L10-L123 HydrophobicContact CD1-CD1 4.33Å; L10-L123 HydrophobicContact CD1-CD2 4.38Å
11	V	78.6	Confident	54.2	Low	61 Å²	61	87.4 Å²	87.4	37%	0.37	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117	175.6	-177.7	0	0	0	0	109.2	T9 F68 E69 F71	T9-V11 HydrophobicContact CG2-CG2 4.28Å; V11-F68 CarbonylContact O-C 3.55Å; V11-F68 WeakPolarHBondContact O-CA 3.3Å; V11-E69 HydrophobicContact CB-CB 4.46Å; V11-E69 PolarHBondContact N-O 2.51Å; V11-E69 PolarHBondContact O-N 3.05Å; V11-F71 HydrophobicContact CB-CE2 4.47Å; V11-F71 HydrophobicContact CG2-CD2 4.27Å; V11-F71 HydrophobicContact CG2-CE2 4.02Å
12	A	77.5	Confident	55.2	Low	25 Å²	25	82.3 Å²	82.3	21%	0.207	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.3	173.4	0	0	0	0	0	110.2	F57 F68	A12-F57 HydrophobicContact CB-CZ 4.1Å; A12-F68 HydrophobicContact CB-CD1 3.74Å; A12-F68 HydrophobicContact CB-CE1 3.62Å
13	R	78.2	Confident	56.8	Low	106 Å²	106	80.9 Å²	80.9	40%	0.4	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.8	178.7	64.8	-174.1	173.2	102.9	-3.6	112.6	V67 E69	R13-V67 HydrophobicContact CG-CB 3.84Å; R13-V67 HydrophobicContact CG-CG1 4.38Å; R13-V67 PolarHBondContact N-O 3.03Å; R13-V67 PolarHBondContact O-N 2.98Å; R13-E69 IonicContact CZ-OE1 3.64Å; R13-E69 IonicContact CZ-OE2 3.94Å; R13-E69 IonicContact NE-OE1 3.73Å; R13-E69 IonicContact NE-OE2 3.77Å; R13-E69 PolarHBondContact NE-OE2 2.89Å; R13-E69 IonicContact NH2-OE1 2.77Å; R13-E69 PolarHBondContact NH2-OE1 3.45Å; R13-E69 IonicContact NH2-OE2 2.82Å
14	L	77.6	Confident	58.5	Low	72 Å²	72	79.5 Å²	79.5	38%	0.377	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.2	170.5	-165	70	0	0	0	109	V59 C64 I66	L14-V59 HydrophobicContact CD1-CB 4.23Å; L14-V59 HydrophobicContact CD1-CG1 3.48Å; L14-V59 VanDerWaalsContact CD1-CG1 3.48Å; L14-V59 HydrophobicContact CD2-CG1 4.05Å; L14-V59 HydrophobicContact CG-CG1 4.43Å; L14-C64 HydrophobicContact CD1-CB 3.75Å; L14-C64 HydrophobicContact CD2-CB 4.47Å; L14-C64 HydrophobicContact CG-CB 4.17Å; L14-I66 HydrophobicContact CD1-CG1 3.96Å
15	A	73.7	Confident	60.5	Low	19 Å²	19	82.4 Å²	82.4	16%	0.157	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.7	174.9	0	0	0	0	0	110	K65 V67	A15-K65 HydrophobicContact CB-CD 4.47Å; A15-K65 HydrophobicContact CB-CG 3.89Å; A15-K65 PolarHBondContact N-O 2.84Å; A15-K65 VanDerWaalsContact O-CG 3.26Å; A15-K65 WeakPolarHBondContact O-CG 3.35Å; A15-K65 PolarHBondContact O-N 3.06Å; A15-K65 VanDerWaalsContact O-O 3.1Å; A15-V67 HydrophobicContact CB-CG2 4.11Å
16	G	65.3	Low	62.6	Low	54 Å²	54	81 Å²	81	56%	0.557	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	153.8	164.8	-177.7	0	0	0	0	0	111.4	G18 T63	G16-G18 PolarHBondContact O-N 3.41Å; G16-T63 WeakPolarHBondContact CA-O 3.26Å
17	S	54.9	Low	64.1	Low	87 Å²	87	77 Å²	77	61%	0.608	42%	0.422	S	S	*	.			trans	-76.3	117.7	171.5	47	0	0	0	0	108.7	G19 T63	S17-G19 PolarHBondContact O-N 2.83Å; S17-T63 PolarHBondContact O-OG1 3.07Å
18	G	44.5	Very low	64.9	Low	83 Å²	83	76.1 Å²	76.1	86%	0.856	41%	0.409	S	S	*	.			trans	-65.3	78.3	168.1	0	0	0	0	0	110.1	G16	G16-G18 PolarHBondContact O-N 3.41Å
19	G	43.7	Very low	65.1	Low	36 Å²	36	75.5 Å²	75.5	37%	0.371	40%	0.403	S	S	.	.			trans	-68.2	148.6	169.5	0	0	0	0	0	109.9	S17	S17-G19 PolarHBondContact O-N 2.83Å
20	R	47	Very low	64.7	Low	225 Å²	225	78 Å²	78	85%	0.849	41%	0.406	S	S	*	.			trans	-30.9	134.7	-178.8	-67.7	175.6	175.1	179.7	-2	114.2	I22	R20-I22 PolarHBondContact O-N 3.04Å
21	R	50.6	Low	63.9	Low	220 Å²	220	79.1 Å²	79.1	83%	0.83	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.9	2.3	178.7	-69.1	-179.6	172.8	-179.4	-2	121.1
22	I	48.5	Very low	62.8	Low	134 Å²	134	76.2 Å²	76.2	69%	0.687	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-22.1	-164.6	-49.1	176.1	0	0	0	112.7	R20	R20-I22 PolarHBondContact O-N 3.04Å
23	H	55.8	Low	61.9	Low	111 Å²	111	75.6 Å²	75.6	51%	0.514	39%	0.387	S	S	.	.	S	Bend	trans	-122	14.3	-175.3	-62.7	-55.9	0	0	0	114.5	R25	H23-R25 PolarHBondContact O-N 2.78Å
24	E	62.5	Low	60.8	Low	79 Å²	79	71.4 Å²	71.4	37%	0.369	37%	0.372	S	S	.	.			trans	-63.7	130.3	178.2	-68.9	177.8	-160.8	0	0	111.1	V59	E24-V59 CarbonylContact C-O 3.49Å; E24-V59 WeakPolarHBondContact CA-O 3.38Å
25	R	68.4	Low	59.5	Low	117 Å²	117	69 Å²	69	44%	0.442	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.2	170.8	-63.5	-168.5	179.4	-177.4	-1.1	109.3	H23 V59 P61 Y129	H23-R25 PolarHBondContact O-N 2.78Å; R25-V59 PolarHBondContact N-O 2.81Å; R25-V59 PolarHBondContact O-N 3.21Å; R25-P61 HydrophobicContact CB-CG 4.46Å; R25-P61 HydrophobicContact CG-CG 4.22Å; R25-Y129 HydrophobicContact CB-CD1 4.02Å; R25-Y129 HydrophobicContact CB-CE1 4.3Å
26	L	74.4	Confident	58.1	Low	64 Å²	64	69.4 Å²	69.4	34%	0.335	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.9	170.1	-165.7	66.1	0	0	0	108.7	L56 R58 V130	L26-L56 HydrophobicContact CD1-CB 4.46Å; L26-L56 HydrophobicContact CD1-CD2 4.05Å; L26-L56 HydrophobicContact CD1-CG 4.49Å; L26-L56 HydrophobicContact CD2-CD2 3.72Å; L26-L56 HydrophobicContact CG-CD2 3.94Å; L26-L56 HydrophobicContact CG-CG 4.45Å; L26-R58 HydrophobicContact CD1-CG 4.01Å; L26-V130 HydrophobicContact CB-CB 4.21Å; L26-V130 HydrophobicContact CB-CG2 4.5Å; L26-V130 HydrophobicContact CD2-CB 4.18Å; L26-V130 HydrophobicContact CD2-CG1 4.37Å; L26-V130 HydrophobicContact CD2-CG2 4.23Å; L26-V130 HydrophobicContact CG-CB 4.34Å; L26-V130 HydrophobicContact CG-CG2 4.19Å; L26-V130 PolarHBondContact O-N 2.98Å
27	M	74.3	Confident	56.7	Low	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.5	-179.1	-176.1	172.4	170.7	0	0	109.3	L56 F57 V59 I66 L89 I94 L127 S128 Y129	M27-L56 CarbonylContact O-C 3.59Å; M27-L56 WeakPolarHBondContact O-CA 3.01Å; M27-F57 PolarHBondContact N-O 2.61Å; M27-F57 PolarHBondContact O-N 2.97Å; M27-V59 HydrophobicContact CB-CG1 4.4Å; M27-V59 HydrophobicContact CB-CG2 3.84Å; M27-V59 HydrophobicContact SD-CG2 4.17Å; M27-I66 HydrophobicContact CE-CD1 3.58Å; M27-I66 HydrophobicContact SD-CD1 3.54Å; M27-I66 VanDerWaalsContact SD-CD1 3.54Å; M27-L89 HydrophobicContact CE-CD2 4.07Å; M27-L89 HydrophobicContact SD-CD1 4.23Å; M27-L89 HydrophobicContact SD-CD2 3.89Å; M27-I94 HydrophobicContact CE-CD1 3.77Å; M27-I94 HydrophobicContact SD-CD1 4.33Å; M27-L127 HydrophobicContact CE-CB 3.78Å; M27-L127 HydrophobicContact CE-CD1 4.36Å; M27-L127 HydrophobicContact CE-CD2 3.38Å; M27-L127 HydrophobicContact CE-CG 4.01Å; M27-S128 CarbonylContact C-O 3.48Å; M27-S128 WeakPolarHBondContact CA-O 3.41Å; M27-S128 WeakPolarHBondContact CG-O 3.38Å; M27-Y129 HydrophobicContact CB-CD1 4.01Å; M27-Y129 HydrophobicContact CB-CE1 4.13Å; M27-Y129 HydrophobicContact CG-CD1 4.2Å; M27-Y129 HydrophobicContact CG-CE1 4.18Å; M27-Y129 HydrophobicContact SD-CE1 4.08Å
28	H	73.2	Confident	55.8	Low	16 Å²	16	75.3 Å²	75.3	7%	0.074	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.3	178.7	-174.1	-170.4	0	0	0	108.9	E54 L56 E97 S128 V130	H28-E54 IonicContact NE2-OE1 3.78Å; H28-E54 IonicContact NE2-OE2 3.72Å; H28-L56 HydrophobicContact CB-CD1 4.47Å; H28-E97 IonicContact CG-OE2 2.8Å; H28-E97 IonicContact ND1-OE1 3.39Å; H28-E97 IonicContact ND1-OE2 2.84Å; H28-E97 PolarHBondContact ND1-OE2 3.43Å; H28-S128 PolarHBondContact N-O 2.8Å; H28-S128 PolarHBondContact O-N 3.29Å; H28-S128 VanDerWaalsContact O-O 3.14Å; H28-S128 PolarHBondContact O-OG 2.83Å; H28-V130 HydrophobicContact CB-CG2 3.68Å
29	L	69.4	Low	55.2	Low	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.2	172	164.1	70.3	0	0	0	108.3	V32 E54 F55 F57 F68 L125 A126 L127	L29-V32 HydrophobicContact CD1-CG2 4.49Å; L29-E54 CarbonylContact O-C 3.48Å; L29-E54 VanDerWaalsContact O-CA 3.28Å; L29-E54 WeakPolarHBondContact O-CA 3.46Å; L29-F55 HydrophobicContact CB-CB 4.27Å; L29-F55 HydrophobicContact CD2-CB 4.15Å; L29-F55 HydrophobicContact CD2-CD2 3.59Å; L29-F55 HydrophobicContact CD2-CE2 4.36Å; L29-F55 HydrophobicContact CD2-CG 4.19Å; L29-F55 HydrophobicContact CG-CD2 4.2Å; L29-F55 PolarHBondContact N-O 3.14Å; L29-F55 PolarHBondContact O-N 2.75Å; L29-F57 HydrophobicContact CD2-CE2 4.19Å; L29-F68 HydrophobicContact CD1-CZ 4.09Å; L29-F68 HydrophobicContact CD2-CE1 3.4Å; L29-F68 HydrophobicContact CD2-CZ 3.5Å; L29-F68 HydrophobicContact CG-CZ 4.45Å; L29-L125 HydrophobicContact CD1-CB 4.38Å; L29-L125 HydrophobicContact CD1-CD2 3.98Å; L29-A126 WeakPolarHBondContact CA-O 3.29Å; L29-L127 HydrophobicContact CB-CD2 4.22Å; L29-L127 HydrophobicContact CD1-CD2 3.41Å; L29-L127 VanDerWaalsContact CD1-CD2 3.41Å; L29-L127 HydrophobicContact CD1-CG 4.34Å; L29-L127 HydrophobicContact CG-CD2 4.35Å
30	R	64.2	Low	54.6	Low	108 Å²	108	81 Å²	81	41%	0.408	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.3	177.3	175.8	-177	-75.2	159.1	-0	110.6	E54 A126	R30-E54 HydrophobicContact CB-CG 4.32Å; R30-E54 HydrophobicContact CG-CG 4.16Å; R30-E54 IonicContact CZ-OE1 2.84Å; R30-E54 IonicContact NE-OE1 2.61Å; R30-E54 PolarHBondContact NE-OE1 3.26Å; R30-E54 IonicContact NH2-OE1 3.03Å; R30-E54 PolarHBondContact NH2-OE1 3.43Å; R30-A126 HydrophobicContact CB-CB 4.35Å; R30-A126 PolarHBondContact N-O 2.78Å; R30-A126 WeakPolarHBondContact O-CA 3.28Å; R30-A126 VanDerWaalsContact O-CB 3.25Å; R30-A126 WeakPolarHBondContact O-CB 3.13Å; R30-A126 PolarHBondContact O-N 2.81Å
31	H	58.9	Low	54	Low	44 Å²	44	75.1 Å²	75.1	20%	0.204	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.5	101.7	165.9	-167.8	-136.7	0	0	0	113.6	D52 E53 E105	H31-D52 IonicContact CD2-OD1 2.9Å; H31-D52 PolarHBondContact CD2-OD1 3.05Å; H31-D52 IonicContact NE2-OD1 3.73Å; H31-D52 PolarHBondContact NE2-OD1 3.39Å; H31-E53 PolarHBondContact N-O 3.43Å; H31-E105 IonicContact CE1-OE1 3.56Å; H31-E105 PolarHBondContact CE1-OE1 3.28Å; H31-E105 IonicContact CE1-OE2 3.69Å; H31-E105 IonicContact CG-OE1 2.85Å; H31-E105 IonicContact ND1-OE1 3.63Å; H31-E105 PolarHBondContact ND1-OE1 3.1Å; H31-E105 IonicContact ND1-OE2 3.72Å
32	V	57.1	Low	53	Low	0 Å²	0	73 Å²	73	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117	178.3	-168.7	0	0	0	0	109.5	L10 L29 W51 L123 R124 L125	L10-V32 HydrophobicContact CD1-CG1 4.24Å; L10-V32 HydrophobicContact CD2-CB 3.65Å; L10-V32 HydrophobicContact CD2-CG1 3.39Å; L10-V32 HydrophobicContact CD2-CG2 3.84Å; L10-V32 HydrophobicContact CG-CG1 4.46Å; L29-V32 HydrophobicContact CD1-CG2 4.49Å; V32-W51 HydrophobicContact CB-CB 4.2Å; V32-W51 HydrophobicContact CB-CE3 4.5Å; V32-W51 HydrophobicContact CG1-CE3 4.14Å; V32-W51 PolarHBondContact N-O 3.26Å; V32-W51 CarbonylContact O-C 3.52Å; V32-W51 VanDerWaalsContact O-CA 3.31Å; V32-W51 WeakPolarHBondContact O-CA 3.49Å; V32-W51 WeakPolarHBondContact O-CB 3.29Å; V32-W51 PolarHBondContact O-N 2.85Å; V32-L123 HydrophobicContact CG1-CD1 3.59Å; V32-L123 HydrophobicContact CG1-CD2 3.8Å; V32-L123 HydrophobicContact CG1-CG 3.6Å; V32-R124 VanDerWaalsContact CA-O 3.26Å; V32-R124 WeakPolarHBondContact CA-O 3.46Å; V32-L125 HydrophobicContact CB-CD2 4.05Å; V32-L125 HydrophobicContact CG1-CD2 3.59Å; V32-L125 HydrophobicContact CG2-CD2 3.59Å
33	S	58.8	Low	52.5	Low	13 Å²	13	72.4 Å²	72.4	9%	0.091	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.9	176.5	68.2	0	0	0	0	111.9	L123 R124	S33-L123 CarbonylContact O-C 3.27Å; S33-L123 WeakPolarHBondContact O-CA 3.3Å; S33-R124 PolarHBondContact N-O 3.06Å; S33-R124 PolarHBondContact O-N 2.89Å; S33-R124 WeakPolarHBondContact OG-CB 3.17Å; S33-R124 WeakPolarHBondContact OG-CG 3.46Å
34	Q	53.6	Low	51.6	Low	17 Å²	17	72.3 Å²	72.3	8%	0.079	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.7	176.1	-171.1	176.8	1.4	0	0	111.5	Y48 P49 W51 L110 E122	Q34-Y48 WeakPolarHBondContact O-CA 3.42Å; Q34-P49 HydrophobicContact CB-CG 3.95Å; Q34-P49 PolarHBondContact N-O 2.89Å; Q34-W51 HydrophobicContact CB-CH2 4.25Å; Q34-W51 HydrophobicContact CB-CZ3 3.92Å; Q34-L110 HydrophobicContact CG-CD1 4.2Å; Q34-E122 CarbonylContact C-O 3.52Å; Q34-E122 VanDerWaalsContact CA-O 3.22Å; Q34-E122 WeakPolarHBondContact CA-O 3.3Å
35	D	51.6	Low	50.7	Low	21 Å²	21	71.5 Å²	71.5	11%	0.112	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.9	173.1	-161.3	-6.1	0	0	0	110.4	R37 E122 R124	D35-R37 WeakPolarHBondContact OD1-CG 3.35Å; D35-R37 IonicContact OD2-CZ 2.99Å; D35-R37 IonicContact OD2-NE 3.8Å; D35-R37 PolarHBondContact OD2-NE 2.68Å; D35-R37 IonicContact OD2-NH2 3.81Å; D35-E122 PolarHBondContact N-O 3.14Å; D35-E122 PolarHBondContact O-N 3.02Å; D35-R124 IonicContact OD2-CZ 2.79Å; D35-R124 IonicContact OD2-NH2 3.5Å; D35-R124 PolarHBondContact OD2-NH2 3.03Å
36	C	42.6	Very low	49.6	Very low	28 Å²	28	70 Å²	70	19%	0.189	39%	0.39	C	S	.	.			trans	-105.4	75.7	176.5	-83.2	0	0	0	0	110.7	S38 L47 Y48	C36-S38 PolarHBondContact O-N 2.91Å; C36-L47 HydrophobicContact CB-CB 4.48Å; C36-Y48 HydrophobicContact CB-CE1 4.31Å; C36-Y48 PolarHBondContact O-OH 3Å
37	R	37.4	Very low	48.4	Very low	195 Å²	195	71.8 Å²	71.8	74%	0.736	40%	0.399	S	S	*	.			trans	-76.7	80.8	173.8	-64.4	-172.9	-168.9	-174.3	2.8	112	D35	D35-R37 WeakPolarHBondContact OD1-CG 3.35Å; D35-R37 IonicContact OD2-CZ 2.99Å; D35-R37 IonicContact OD2-NE 3.8Å; D35-R37 PolarHBondContact OD2-NE 2.68Å; D35-R37 IonicContact OD2-NH2 3.81Å
38	S	34.7	Very low	47.7	Very low	71 Å²	71	77.7 Å²	77.7	50%	0.497	42%	0.422	S	S	.	.			trans	-174.2	131.4	149.7	57.2	0	0	0	0	112.6	C36	C36-S38 PolarHBondContact O-N 2.91Å
39	V	32.5	Very low	47.3	Very low	110 Å²	110	77.8 Å²	77.8	67%	0.667	42%	0.424	S	S	*	.			trans	95.1	110.6	165.1	-164.2	0	0	0	0	116	V41	V39-V41 HydrophobicContact CG1-CG2 4.07Å
40	P	30.3	Very low	47.2	Very low	127 Å²	127	81.8 Å²	81.8	83%	0.825	45%	0.448	S	S	*	.			trans	-93	99.9	174.8	33.7	-26.3	0	0	0	110.6
41	V	35.2	Very low	47.3	Very low	103 Å²	103	77.8 Å²	77.8	62%	0.624	43%	0.433	S	S	*	.			trans	-147.9	104.5	170.1	179.6	0	0	0	0	108.9	V39	V39-V41 HydrophobicContact CG1-CG2 4.07Å
42	H	30.6	Very low	47.8	Very low	176 Å²	176	81.6 Å²	81.6	82%	0.815	46%	0.455	S	S	*	.			trans	63.8	129.3	168.8	-54.8	-59.1	0	0	0	118.6
43	P	36.7	Very low	48.4	Very low	120 Å²	120	86.1 Å²	86.1	78%	0.779	48%	0.476	S	S	*	.			trans	-78	151.3	164.4	35.1	-30.1	0	0	0	108.5
44	P	36.9	Very low	49.1	Very low	110 Å²	110	90.8 Å²	90.8	71%	0.714	50%	0.496	S	S	*	.			cis	-144.6	118.4	26.8	36	-12.3	0	0	0	115
45	A	43.4	Very low	50.1	Low	61 Å²	61	92.3 Å²	92.3	50%	0.504	50%	0.503	S	S	.	.	S	Bend	trans	-159	127.9	157.2	0	0	0	0	0	104.3	L6 L47	L6-A45 HydrophobicContact CD1-CB 3.52Å; A45-L47 VanDerWaalsContact C-N 3.3Å; A45-L47 PolarHBondContact O-N 3.13Å
46	T	45.9	Very low	51.3	Low	86 Å²	86	96.2 Å²	96.2	53%	0.528	52%	0.524	S	S	.	.			trans	-65.3	90.6	-176.6	31.6	0	0	0	0	109.5	L6 Y48	L6-T46 PolarHBondContact O-OG1 3.37Å; L6-T46 VanDerWaalsContact O-OG1 3.1Å; T46-Y48 PolarHBondContact O-N 3.08Å
47	L	49.9	Very low	53	Low	102 Å²	102	96.7 Å²	96.7	53%	0.534	52%	0.522	S	S	.	.	S	Bend	trans	-63.5	5.3	170.9	-72.6	166.8	0	0	0	113.1	C36 A45	C36-L47 HydrophobicContact CB-CB 4.48Å; A45-L47 VanDerWaalsContact C-N 3.3Å; A45-L47 PolarHBondContact O-N 3.13Å
48	Y	59.5	Low	55	Low	124 Å²	124	96.1 Å²	96.1	49%	0.486	52%	0.52	S	S	.	.	S	Bend	trans	-137.4	61.3	-171.6	-46.8	-81.1	0	0	0	109.9	Q34 C36 T46	Q34-Y48 WeakPolarHBondContact O-CA 3.42Å; C36-Y48 HydrophobicContact CB-CE1 4.31Å; C36-Y48 PolarHBondContact O-OH 3Å; T46-Y48 PolarHBondContact O-N 3.08Å
49	P	64.6	Low	57.2	Low	18 Å²	18	92.8 Å²	92.8	12%	0.117	50%	0.497	C	S	.	.			trans	-59.7	139.9	173.4	26.6	-34.8	0	0	0	110.4	Q34 W51	Q34-P49 HydrophobicContact CB-CG 3.95Å; Q34-P49 PolarHBondContact N-O 2.89Å; P49-W51 HydrophobicContact CB-CH2 3.69Å; P49-W51 HydrophobicContact CB-CZ2 3.66Å; P49-W51 HydrophobicContact CB-CZ3 4.14Å; P49-W51 HydrophobicContact CG-CH2 3.28Å; P49-W51 HydrophobicContact CG-CZ2 3.72Å; P49-W51 HydrophobicContact CG-CZ3 3.84Å
50	V	65.9	Low	59.5	Low	84 Å²	84	88.4 Å²	88.4	51%	0.509	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.7	176.3	-177.1	0	0	0	0	107.3	D52	V50-D52 WeakPolarHBondContact CG1-OD1 3.49Å
51	W	68	Low	61.7	Low	24 Å²	24	83.1 Å²	83.1	9%	0.091	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	90.4	172.6	-54.5	-88.7	0	0	0	107.2	G8 L10 V32 Q34 P49 E53 V70 L123	G8-W51 PolarHBondContact O-NE1 2.78Å; L10-W51 HydrophobicContact CB-CD2 4.13Å; L10-W51 HydrophobicContact CB-CG 4.28Å; L10-W51 HydrophobicContact CB-CZ2 4.44Å; L10-W51 HydrophobicContact CD2-CB 4.39Å; L10-W51 HydrophobicContact CD2-CD2 4.44Å; L10-W51 HydrophobicContact CD2-CG 4.38Å; V32-W51 HydrophobicContact CB-CB 4.2Å; V32-W51 HydrophobicContact CB-CE3 4.5Å; V32-W51 HydrophobicContact CG1-CE3 4.14Å; V32-W51 PolarHBondContact N-O 3.26Å; V32-W51 CarbonylContact O-C 3.52Å; V32-W51 VanDerWaalsContact O-CA 3.31Å; V32-W51 WeakPolarHBondContact O-CA 3.49Å; V32-W51 WeakPolarHBondContact O-CB 3.29Å; V32-W51 PolarHBondContact O-N 2.85Å; Q34-W51 HydrophobicContact CB-CH2 4.25Å; Q34-W51 HydrophobicContact CB-CZ3 3.92Å; P49-W51 HydrophobicContact CB-CH2 3.69Å; P49-W51 HydrophobicContact CB-CZ2 3.66Å; P49-W51 HydrophobicContact CB-CZ3 4.14Å; P49-W51 HydrophobicContact CG-CH2 3.28Å; P49-W51 HydrophobicContact CG-CZ2 3.72Å; P49-W51 HydrophobicContact CG-CZ3 3.84Å; W51-E53 PolarHBondContact O-N 3.42Å; W51-V70 HydrophobicContact CH2-CG1 3.87Å; W51-V70 HydrophobicContact CZ2-CG1 4.32Å; W51-L123 HydrophobicContact CZ3-CD1 4.16Å
52	D	69.1	Low	63.7	Low	123 Å²	123	83 Å²	83	66%	0.658	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	44.3	175.3	-72.7	-22.3	0	0	0	111.5	H31 V50	H31-D52 IonicContact CD2-OD1 2.9Å; H31-D52 PolarHBondContact CD2-OD1 3.05Å; H31-D52 IonicContact NE2-OD1 3.73Å; H31-D52 PolarHBondContact NE2-OD1 3.39Å; V50-D52 WeakPolarHBondContact CG1-OD1 3.49Å
53	E	69.5	Low	65.8	Low	96 Å²	96	77.2 Å²	77.2	45%	0.449	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	148.9	-176.6	-64.7	-171.3	-172.8	0	0	111.6	H31 W51 F55	H31-E53 PolarHBondContact N-O 3.43Å; W51-E53 PolarHBondContact O-N 3.42Å; E53-F55 HydrophobicContact CB-CD2 4.46Å; E53-F55 HydrophobicContact CB-CE2 3.68Å; E53-F55 HydrophobicContact CB-CZ 4Å; E53-F55 WeakPolarHBondContact OE2-CZ 3.43Å
54	E	72.7	Confident	67.9	Low	110 Å²	110	72 Å²	72	51%	0.514	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.4	175.5	-65.6	-173.6	157.1	0	0	109.2	H28 L29 R30	H28-E54 IonicContact NE2-OE1 3.78Å; H28-E54 IonicContact NE2-OE2 3.72Å; L29-E54 CarbonylContact O-C 3.48Å; L29-E54 VanDerWaalsContact O-CA 3.28Å; L29-E54 WeakPolarHBondContact O-CA 3.46Å; R30-E54 HydrophobicContact CB-CG 4.32Å; R30-E54 HydrophobicContact CG-CG 4.16Å; R30-E54 IonicContact CZ-OE1 2.84Å; R30-E54 IonicContact NE-OE1 2.61Å; R30-E54 PolarHBondContact NE-OE1 3.26Å; R30-E54 IonicContact NH2-OE1 3.03Å; R30-E54 PolarHBondContact NH2-OE1 3.43Å
55	F	75.1	Confident	70.2	Confident	49 Å²	49	70.2 Å²	70.2	22%	0.215	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.1	178.2	-57.6	-93.7	0	0	0	110.4	L29 E53 F57	L29-F55 HydrophobicContact CB-CB 4.27Å; L29-F55 HydrophobicContact CD2-CB 4.15Å; L29-F55 HydrophobicContact CD2-CD2 3.59Å; L29-F55 HydrophobicContact CD2-CE2 4.36Å; L29-F55 HydrophobicContact CD2-CG 4.19Å; L29-F55 HydrophobicContact CG-CD2 4.2Å; L29-F55 PolarHBondContact N-O 3.14Å; L29-F55 PolarHBondContact O-N 2.75Å; E53-F55 HydrophobicContact CB-CD2 4.46Å; E53-F55 HydrophobicContact CB-CE2 3.68Å; E53-F55 HydrophobicContact CB-CZ 4Å; E53-F55 WeakPolarHBondContact OE2-CZ 3.43Å; F55-F57 HydrophobicContact CB-CD2 4.14Å; F55-F57 HydrophobicContact CB-CE2 3.38Å; F55-F57 HydrophobicContact CB-CZ 3.7Å; F55-F57 HydrophobicContact CD1-CZ 4.23Å; F55-F57 HydrophobicContact CG-CE2 4.18Å; F55-F57 HydrophobicContact CG-CZ 4.13Å
56	L	77.5	Confident	72.2	Confident	104 Å²	104	67.3 Å²	67.3	55%	0.545	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.3	170	-98.5	80	0	0	0	110.1	L26 M27 H28	L26-L56 HydrophobicContact CD1-CB 4.46Å; L26-L56 HydrophobicContact CD1-CD2 4.05Å; L26-L56 HydrophobicContact CD1-CG 4.49Å; L26-L56 HydrophobicContact CD2-CD2 3.72Å; L26-L56 HydrophobicContact CG-CD2 3.94Å; L26-L56 HydrophobicContact CG-CG 4.45Å; M27-L56 CarbonylContact O-C 3.59Å; M27-L56 WeakPolarHBondContact O-CA 3.01Å; H28-L56 HydrophobicContact CB-CD1 4.47Å
57	F	77.5	Confident	74.1	Confident	38 Å²	38	63.2 Å²	63.2	17%	0.167	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.3	176.4	-60.4	-76.5	0	0	0	110.7	A12 M27 L29 F55 V59	A12-F57 HydrophobicContact CB-CZ 4.1Å; M27-F57 PolarHBondContact N-O 2.61Å; M27-F57 PolarHBondContact O-N 2.97Å; L29-F57 HydrophobicContact CD2-CE2 4.19Å; F55-F57 HydrophobicContact CB-CD2 4.14Å; F55-F57 HydrophobicContact CB-CE2 3.38Å; F55-F57 HydrophobicContact CB-CZ 3.7Å; F55-F57 HydrophobicContact CD1-CZ 4.23Å; F55-F57 HydrophobicContact CG-CE2 4.18Å; F55-F57 HydrophobicContact CG-CZ 4.13Å; F57-V59 HydrophobicContact CB-CG1 3.56Å
58	R	78.9	Confident	75.7	Confident	183 Å²	183	58.4 Å²	58.4	69%	0.691	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.3	159.6	-73.2	-178.4	-175.5	-107	-2.2	107.8	L26	L26-R58 HydrophobicContact CD1-CG 4.01Å
59	V	80.6	Confident	76.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.3	-173.1	-54.8	0	0	0	0	110.3	L14 E24 R25 M27 F57 P61 C64 L89 Y129	L14-V59 HydrophobicContact CD1-CB 4.23Å; L14-V59 HydrophobicContact CD1-CG1 3.48Å; L14-V59 VanDerWaalsContact CD1-CG1 3.48Å; L14-V59 HydrophobicContact CD2-CG1 4.05Å; L14-V59 HydrophobicContact CG-CG1 4.43Å; E24-V59 CarbonylContact C-O 3.49Å; E24-V59 WeakPolarHBondContact CA-O 3.38Å; R25-V59 PolarHBondContact N-O 2.81Å; R25-V59 PolarHBondContact O-N 3.21Å; M27-V59 HydrophobicContact CB-CG1 4.4Å; M27-V59 HydrophobicContact CB-CG2 3.84Å; M27-V59 HydrophobicContact SD-CG2 4.17Å; F57-V59 HydrophobicContact CB-CG1 3.56Å; V59-P61 WeakPolarHBondContact O-CD 3.49Å; V59-C64 HydrophobicContact CB-CB 4.4Å; V59-L89 HydrophobicContact CB-CD1 3.83Å; V59-L89 HydrophobicContact CG1-CD1 4.23Å; V59-L89 HydrophobicContact CG2-CD1 3.78Å; V59-Y129 HydrophobicContact CG2-CE1 3.98Å
60	D	80.8	Confident	77.8	Confident	17 Å²	17	52.8 Å²	52.8	9%	0.091	26%	0.257	C	S	.	.			trans	-94.3	108.9	161.9	173	10.4	0	0	0	108.2	L62 T63 C64	D60-L62 PolarHBondContact O-N 3.08Å; D60-L62 PolarHBondContact OD1-N 3.19Å; D60-T63 WeakPolarHBondContact CB-OG1 3.23Å; D60-T63 PolarHBondContact O-N 2.76Å; D60-T63 VanDerWaalsContact O-N 3.13Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.43Å; D60-T63 PolarHBondContact OD2-OG1 3.34Å; D60-C64 PolarHBondContact N-SG 2.97Å; D60-C64 VanDerWaalsContact O-CB 3.26Å; D60-C64 WeakPolarHBondContact O-CB 3.48Å; D60-C64 PolarHBondContact O-N 2.69Å; D60-C64 PolarHBondContact O-SG 3.2Å
61	P	78.3	Confident	78.4	Confident	17 Å²	17	50.9 Å²	50.9	11%	0.11	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.6	-177.2	-24.3	34.5	0	0	0	114.7	R25 V59 L89 Q90 Y129	R25-P61 HydrophobicContact CB-CG 4.46Å; R25-P61 HydrophobicContact CG-CG 4.22Å; V59-P61 WeakPolarHBondContact O-CD 3.49Å; P61-L89 HydrophobicContact CB-CB 4.48Å; P61-L89 CarbonylContact O-C 3.55Å; P61-Q90 WeakPolarHBondContact O-CA 3.22Å; P61-Q90 WeakPolarHBondContact O-CB 3.49Å; P61-Q90 PolarHBondContact O-N 3.32Å; P61-Q90 VanDerWaalsContact O-N 3.14Å; P61-Y129 WeakPolarHBondContact CB-OH 3.35Å; P61-Y129 HydrophobicContact CG-CE1 4.06Å
62	L	76.1	Confident	78.6	Confident	101 Å²	101	51.4 Å²	51.4	53%	0.529	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-18.3	-178	-63	175.7	0	0	0	113.2	D60	D60-L62 PolarHBondContact O-N 3.08Å; D60-L62 PolarHBondContact OD1-N 3.19Å
63	T	74.2	Confident	78.5	Confident	53 Å²	53	49.8 Å²	49.8	33%	0.325	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-19.6	-170.2	58.4	0	0	0	0	113.3	G16 S17 D60	G16-T63 WeakPolarHBondContact CA-O 3.26Å; S17-T63 PolarHBondContact O-OG1 3.07Å; D60-T63 WeakPolarHBondContact CB-OG1 3.23Å; D60-T63 PolarHBondContact O-N 2.76Å; D60-T63 VanDerWaalsContact O-N 3.13Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.43Å; D60-T63 PolarHBondContact OD2-OG1 3.34Å
64	C	81.8	Confident	78	Confident	10 Å²	10	47.7 Å²	47.7	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.7	-178.4	-61.3	0	0	0	0	112.7	L14 V59 D60 L89	L14-C64 HydrophobicContact CD1-CB 3.75Å; L14-C64 HydrophobicContact CD2-CB 4.47Å; L14-C64 HydrophobicContact CG-CB 4.17Å; V59-C64 HydrophobicContact CB-CB 4.4Å; D60-C64 PolarHBondContact N-SG 2.97Å; D60-C64 VanDerWaalsContact O-CB 3.26Å; D60-C64 WeakPolarHBondContact O-CB 3.48Å; D60-C64 PolarHBondContact O-N 2.69Å; D60-C64 PolarHBondContact O-SG 3.2Å; C64-L89 HydrophobicContact CB-CD1 4Å; C64-L89 VanDerWaalsContact O-CB 3.31Å; C64-L89 WeakPolarHBondContact O-CB 3.49Å; C64-L89 VanDerWaalsContact O-CG 3.3Å; C64-L89 WeakPolarHBondContact O-CG 3.26Å; C64-L89 PolarHBondContact O-N 2.93Å
65	K	85.6	Confident	77	Confident	74 Å²	74	52.1 Å²	52.1	32%	0.322	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.4	161.5	62.1	171.8	-179.7	167.9	0	109.7	A15 V67 E86 I87	A15-K65 HydrophobicContact CB-CD 4.47Å; A15-K65 HydrophobicContact CB-CG 3.89Å; A15-K65 PolarHBondContact N-O 2.84Å; A15-K65 VanDerWaalsContact O-CG 3.26Å; A15-K65 WeakPolarHBondContact O-CG 3.35Å; A15-K65 PolarHBondContact O-N 3.06Å; A15-K65 VanDerWaalsContact O-O 3.1Å; K65-V67 HydrophobicContact CD-CG2 4.46Å; K65-E86 IonicContact NZ-OE1 3.72Å; K65-E86 PolarHBondContact NZ-OE1 2.62Å; K65-E86 IonicContact NZ-OE2 2.75Å; K65-I87 CarbonylContact C-O 3.5Å; K65-I87 VanDerWaalsContact CA-O 3.27Å; K65-I87 WeakPolarHBondContact CA-O 3.21Å; K65-I87 WeakPolarHBondContact CB-O 3.08Å
66	I	84.2	Confident	75.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.3	174	-58.4	179.4	0	0	0	108.6	L14 M27 F68 E86 I87 L89	L14-I66 HydrophobicContact CD1-CG1 3.96Å; M27-I66 HydrophobicContact CE-CD1 3.58Å; M27-I66 HydrophobicContact SD-CD1 3.54Å; M27-I66 VanDerWaalsContact SD-CD1 3.54Å; I66-F68 HydrophobicContact CB-CE2 4.34Å; I66-F68 HydrophobicContact CG2-CD2 4.14Å; I66-F68 HydrophobicContact CG2-CE1 4.25Å; I66-F68 HydrophobicContact CG2-CE2 3.46Å; I66-F68 VanDerWaalsContact CG2-CE2 3.46Å; I66-F68 HydrophobicContact CG2-CZ 3.53Å; I66-E86 CarbonylContact O-C 3.58Å; I66-E86 WeakPolarHBondContact O-CA 3.27Å; I66-I87 PolarHBondContact N-O 2.86Å; I66-I87 PolarHBondContact O-N 2.67Å; I66-L89 HydrophobicContact CD1-CD1 4.42Å; I66-L89 HydrophobicContact CD1-CD2 3.91Å; I66-L89 HydrophobicContact CG1-CD1 4.26Å; I66-L89 HydrophobicContact CG1-CD2 4.02Å; I66-L89 HydrophobicContact CG1-CG 4.37Å
67	V	85.6	Confident	74.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.3	179.3	-177.8	0	0	0	0	108.8	R13 A15 K65 E69 I84 V85 E86	R13-V67 HydrophobicContact CG-CB 3.84Å; R13-V67 HydrophobicContact CG-CG1 4.38Å; R13-V67 PolarHBondContact N-O 3.03Å; R13-V67 PolarHBondContact O-N 2.98Å; A15-V67 HydrophobicContact CB-CG2 4.11Å; K65-V67 HydrophobicContact CD-CG2 4.46Å; V67-E69 HydrophobicContact CG1-CG 4.16Å; V67-I84 HydrophobicContact CG1-CD1 3.52Å; V67-I84 HydrophobicContact CG1-CG1 3.71Å; V67-V85 CarbonylContact C-O 3.5Å; V67-V85 WeakPolarHBondContact CA-O 3.4Å; V67-E86 HydrophobicContact CG1-CG 4.31Å; V67-E86 HydrophobicContact CG2-CG 4.12Å
68	F	85	Confident	73.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.2	172.2	-61.1	-83	0	0	0	109.3	L10 V11 A12 L29 I66 I84 V85 I87 L123 L125	L10-F68 HydrophobicContact CD1-CB 4.31Å; L10-F68 HydrophobicContact CD1-CD1 4.32Å; V11-F68 CarbonylContact O-C 3.55Å; V11-F68 WeakPolarHBondContact O-CA 3.3Å; A12-F68 HydrophobicContact CB-CD1 3.74Å; A12-F68 HydrophobicContact CB-CE1 3.62Å; L29-F68 HydrophobicContact CD1-CZ 4.09Å; L29-F68 HydrophobicContact CD2-CE1 3.4Å; L29-F68 HydrophobicContact CD2-CZ 3.5Å; L29-F68 HydrophobicContact CG-CZ 4.45Å; I66-F68 HydrophobicContact CB-CE2 4.34Å; I66-F68 HydrophobicContact CG2-CD2 4.14Å; I66-F68 HydrophobicContact CG2-CE1 4.25Å; I66-F68 HydrophobicContact CG2-CE2 3.46Å; I66-F68 VanDerWaalsContact CG2-CE2 3.46Å; I66-F68 HydrophobicContact CG2-CZ 3.53Å; F68-I84 CarbonylContact O-C 3.6Å; F68-I84 VanDerWaalsContact O-CA 3.24Å; F68-I84 WeakPolarHBondContact O-CA 3.48Å; F68-V85 HydrophobicContact CB-CB 4.26Å; F68-V85 HydrophobicContact CD2-CB 4.41Å; F68-V85 HydrophobicContact CD2-CG1 4.4Å; F68-V85 PolarHBondContact N-O 2.93Å; F68-V85 PolarHBondContact O-N 3.46Å; F68-I87 HydrophobicContact CD2-CD1 4.37Å; F68-I87 HydrophobicContact CE2-CD1 3.85Å; F68-I87 HydrophobicContact CE2-CG1 4.42Å; F68-L123 HydrophobicContact CB-CD2 3.86Å; F68-L123 HydrophobicContact CD1-CD2 4.42Å; F68-L123 HydrophobicContact CD2-CD2 4.43Å; F68-L123 HydrophobicContact CG-CD2 3.98Å; F68-L125 HydrophobicContact CD2-CD1 3.84Å; F68-L125 HydrophobicContact CE1-CD2 4.3Å; F68-L125 HydrophobicContact CE2-CD1 3.57Å; F68-L125 HydrophobicContact CE2-CD2 4.41Å; F68-L125 HydrophobicContact CZ-CD1 4.11Å; F68-L125 HydrophobicContact CZ-CD2 4.18Å
69	E	84.7	Confident	73.2	Confident	25 Å²	25	56.5 Å²	56.5	12%	0.117	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.7	175.4	-69.7	167.2	142.6	0	0	108.4	V11 R13 V67 F71 F81 I84	V11-E69 HydrophobicContact CB-CB 4.46Å; V11-E69 PolarHBondContact N-O 2.51Å; V11-E69 PolarHBondContact O-N 3.05Å; R13-E69 IonicContact CZ-OE1 3.64Å; R13-E69 IonicContact CZ-OE2 3.94Å; R13-E69 IonicContact NE-OE1 3.73Å; R13-E69 IonicContact NE-OE2 3.77Å; R13-E69 PolarHBondContact NE-OE2 2.89Å; R13-E69 IonicContact NH2-OE1 2.77Å; R13-E69 PolarHBondContact NH2-OE1 3.45Å; R13-E69 IonicContact NH2-OE2 2.82Å; V67-E69 HydrophobicContact CG1-CG 4.16Å; E69-F71 HydrophobicContact CB-CE2 3.69Å; E69-F71 HydrophobicContact CB-CZ 4.18Å; E69-F81 HydrophobicContact CB-CE2 4.34Å; E69-F81 HydrophobicContact CG-CE2 4.29Å; E69-I84 HydrophobicContact CG-CB 4.38Å; E69-I84 HydrophobicContact CG-CD1 3.98Å; E69-I84 HydrophobicContact CG-CG1 3.98Å
70	V	82.5	Confident	72.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.7	-179.3	-173	0	0	0	0	108.5	L10 W51 L82 G83 L110 L123	L10-V70 HydrophobicContact CD1-CG2 3.85Å; W51-V70 HydrophobicContact CH2-CG1 3.87Å; W51-V70 HydrophobicContact CZ2-CG1 4.32Å; V70-L82 HydrophobicContact CB-CB 4.27Å; V70-L82 HydrophobicContact CG1-CB 4.1Å; V70-L82 HydrophobicContact CG1-CD1 4.3Å; V70-L82 WeakPolarHBondContact O-CA 3.33Å; V70-L82 WeakPolarHBondContact O-CB 3.49Å; V70-L82 PolarHBondContact O-N 2.72Å; V70-G83 PolarHBondContact N-O 3.03Å; V70-G83 PolarHBondContact O-N 3.41Å; V70-L110 HydrophobicContact CB-CD2 4.47Å; V70-L110 HydrophobicContact CG2-CD2 3.78Å; V70-L123 HydrophobicContact CG2-CD1 3.96Å
71	F	79.5	Confident	72.6	Confident	44 Å²	44	62.1 Å²	62.1	19%	0.193	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.6	175.4	-56.7	-98.8	0	0	0	110	G8 T9 V11 E69 D79 D80 F81	G8-F71 CarbonylContact C-O 3.57Å; G8-F71 VanDerWaalsContact CA-O 3.3Å; G8-F71 WeakPolarHBondContact CA-O 3.49Å; T9-F71 PolarHBondContact N-O 3.01Å; T9-F71 PolarHBondContact O-N 3.06Å; V11-F71 HydrophobicContact CB-CE2 4.47Å; V11-F71 HydrophobicContact CG2-CD2 4.27Å; V11-F71 HydrophobicContact CG2-CE2 4.02Å; E69-F71 HydrophobicContact CB-CE2 3.69Å; E69-F71 HydrophobicContact CB-CZ 4.18Å; F71-D79 HydrophobicContact CB-CB 3.99Å; F71-D80 CarbonylContact C-O 3.51Å; F71-D80 WeakPolarHBondContact CA-O 3.49Å; F71-F81 HydrophobicContact CD1-CB 4.12Å; F71-F81 HydrophobicContact CD1-CD2 4.42Å; F71-F81 HydrophobicContact CE1-CB 4.02Å; F71-F81 AromaticContact CE1-CD2 3.91Å; F71-F81 HydrophobicContact CE1-CD2 3.91Å; F71-F81 HydrophobicContact CE1-CG 4.48Å; F71-F81 HydrophobicContact CZ-CD2 4.07Å
72	D	71.1	Confident	72.5	Confident	35 Å²	35	64.1 Å²	64.1	19%	0.187	31%	0.31	C	S	.	.			trans	-72	177	165.3	74.5	-3.2	0	0	0	110.2	N74 D79 D80 L82	D72-N74 VanDerWaalsContact CG-ND2 3.25Å; D72-N74 PolarHBondContact OD1-ND2 2.94Å; D72-N74 PolarHBondContact OD2-ND2 3.15Å; D72-N74 PolarHBondContact OD2-OD1 2.93Å; D72-D79 VanDerWaalsContact O-CB 3.23Å; D72-D79 WeakPolarHBondContact O-CB 3.45Å; D72-D79 WeakPolarHBondContact OD1-CA 3.49Å; D72-D80 PolarHBondContact N-O 2.85Å; D72-D80 PolarHBondContact OD1-N 2.93Å; D72-L82 HydrophobicContact CB-CD1 3.9Å; D72-L82 HydrophobicContact CB-CD2 4.4Å; D72-L82 HydrophobicContact CB-CG 4.22Å
73	E	66.9	Low	72.8	Confident	89 Å²	89	59.3 Å²	59.3	42%	0.416	29%	0.285	S	S	.	.			trans	-120.4	99.8	175.3	-170.4	-170.1	163.2	0	0	108.5	G7	G7-E73 WeakPolarHBondContact CA-OE2 3.05Å; G7-E73 PolarHBondContact N-OE2 2.96Å; G7-E73 WeakPolarHBondContact O-CB 3.19Å
74	N	59.8	Low	73.4	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.273	28%	0.275	S	S	.	.			trans	-102.1	124.2	-177.5	-78	-37.2	0	0	0	110.9	D72 I76 T77 R78 D79	D72-N74 VanDerWaalsContact CG-ND2 3.25Å; D72-N74 PolarHBondContact OD1-ND2 2.94Å; D72-N74 PolarHBondContact OD2-ND2 3.15Å; D72-N74 PolarHBondContact OD2-OD1 2.93Å; N74-I76 PolarHBondContact O-N 3.19Å; N74-T77 VanDerWaalsContact CB-O 3.26Å; N74-T77 WeakPolarHBondContact CB-O 3.45Å; N74-T77 WeakPolarHBondContact CB-OG1 3.49Å; N74-R78 PolarHBondContact ND2-O 3.04Å; N74-D79 PolarHBondContact N-OD1 2.74Å
75	R	50.2	Low	73.6	Confident	204 Å²	204	57.8 Å²	57.8	77%	0.77	27%	0.274	S	S	*	.	S	Bend	trans	-79.4	-16	-178.3	-70	-174.8	174.9	-177.9	-2.6	115.2
76	I	45.5	Very low	73.6	Confident	167 Å²	167	59 Å²	59	86%	0.856	28%	0.28	S	S	*	.	S	Bend	trans	-124.4	-37.6	-170.5	-59.4	176.2	0	0	0	111.1	N74	N74-I76 PolarHBondContact O-N 3.19Å
77	T	55.3	Low	73.7	Confident	93 Å²	93	59.5 Å²	59.5	57%	0.571	28%	0.283	S	S	*	.	S	Bend	trans	-108.3	172.7	178.4	50.3	0	0	0	0	110.1	N74	N74-T77 VanDerWaalsContact CB-O 3.26Å; N74-T77 WeakPolarHBondContact CB-O 3.45Å; N74-T77 WeakPolarHBondContact CB-OG1 3.49Å
78	R	54.4	Low	73.6	Confident	143 Å²	143	63.1 Å²	63.1	54%	0.54	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-64.6	154.7	170.5	-70.4	-160.5	-172.7	127.7	-2.8	111.1	N74 D80 D485 N486	N74-R78 PolarHBondContact ND2-O 3.04Å; R78-D80 PolarHBondContact O-N 3.33Å; R78-D485 VanDerWaalsContact CZ-CB 3.44Å; R78-D485 IonicContact CZ-OD2 3.19Å; R78-D485 VanDerWaalsContact CZ-OD2 3.25Å; R78-D485 VanDerWaalsContact NH1-CB 3.28Å; R78-D485 IonicContact NH1-OD2 2.67Å; R78-D485 PolarHBondContact NH1-OD2 2.91Å; R78-D485 VanDerWaalsContact NH2-C 3.26Å; R78-D485 VanDerWaalsContact NH2-CB 3.29Å; R78-D485 PolarHBondContact NH2-O 3.29Å; R78-D485 IonicContact NH2-OD2 3.24Å; R78-D485 PolarHBondContact NH2-OD2 2.86Å; R78-N486 PolarHBondContact NH2-OD1 3.35Å
79	D	73.9	Confident	73.5	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-69.8	122.6	173.6	-65.3	-7	0	0	0	110	F71 D72 N74	F71-D79 HydrophobicContact CB-CB 3.99Å; D72-D79 VanDerWaalsContact O-CB 3.23Å; D72-D79 WeakPolarHBondContact O-CB 3.45Å; D72-D79 WeakPolarHBondContact OD1-CA 3.49Å; N74-D79 PolarHBondContact N-OD1 2.74Å
80	D	70.2	Confident	73.1	Confident	104 Å²	104	68.4 Å²	68.4	56%	0.556	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-77.6	137.8	177.4	-78.3	-27.4	0	0	0	110.5	F71 D72 R78 L82	F71-D80 CarbonylContact C-O 3.51Å; F71-D80 WeakPolarHBondContact CA-O 3.49Å; D72-D80 PolarHBondContact N-O 2.85Å; D72-D80 PolarHBondContact OD1-N 2.93Å; R78-D80 PolarHBondContact O-N 3.33Å; D80-L82 PolarHBondContact O-N 3.13Å
81	F	80.1	Confident	72.9	Confident	31 Å²	31	71.7 Å²	71.7	14%	0.136	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.1	177	173.8	-96.4	0	0	0	111.5	E69 F71 G83 I84 R113 V119	E69-F81 HydrophobicContact CB-CE2 4.34Å; E69-F81 HydrophobicContact CG-CE2 4.29Å; F71-F81 HydrophobicContact CD1-CB 4.12Å; F71-F81 HydrophobicContact CD1-CD2 4.42Å; F71-F81 HydrophobicContact CE1-CB 4.02Å; F71-F81 AromaticContact CE1-CD2 3.91Å; F71-F81 HydrophobicContact CE1-CD2 3.91Å; F71-F81 HydrophobicContact CE1-CG 4.48Å; F71-F81 HydrophobicContact CZ-CD2 4.07Å; F81-G83 VanDerWaalsContact CE2-C 3.5Å; F81-G83 VanDerWaalsContact CE2-O 3.24Å; F81-G83 WeakPolarHBondContact CE2-O 3.34Å; F81-G83 VanDerWaalsContact CZ-CA 3.41Å; F81-G83 WeakPolarHBondContact CZ-O 3.4Å; F81-I84 HydrophobicContact CE2-CB 4.22Å; F81-I84 HydrophobicContact CZ-CB 3.78Å; F81-I84 HydrophobicContact CZ-CG2 4.04Å; F81-R113 HydrophobicContact CD1-CB 4.27Å; F81-R113 HydrophobicContact CE1-CB 3.57Å; F81-R113 HydrophobicContact CZ-CB 3.84Å; F81-V119 HydrophobicContact CE1-CG2 4.31Å
82	L	76.6	Confident	72.7	Confident	60 Å²	60	70.9 Å²	70.9	31%	0.314	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-12.6	-177.8	-64.3	-176.2	0	0	0	114.3	V70 D72 D80 V119	V70-L82 HydrophobicContact CB-CB 4.27Å; V70-L82 HydrophobicContact CG1-CB 4.1Å; V70-L82 HydrophobicContact CG1-CD1 4.3Å; V70-L82 WeakPolarHBondContact O-CA 3.33Å; V70-L82 WeakPolarHBondContact O-CB 3.49Å; V70-L82 PolarHBondContact O-N 2.72Å; D72-L82 HydrophobicContact CB-CD1 3.9Å; D72-L82 HydrophobicContact CB-CD2 4.4Å; D72-L82 HydrophobicContact CB-CG 4.22Å; D80-L82 PolarHBondContact O-N 3.13Å; L82-V119 WeakPolarHBondContact O-CG1 3.36Å; L82-V119 VanDerWaalsContact O-CG2 3.28Å; L82-V119 WeakPolarHBondContact O-CG2 3.27Å
83	G	82.5	Confident	72.9	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.7	165.5	174.6	0	0	0	0	0	115.2	V70 F81 R111	V70-G83 PolarHBondContact N-O 3.03Å; V70-G83 PolarHBondContact O-N 3.41Å; F81-G83 VanDerWaalsContact CE2-C 3.5Å; F81-G83 VanDerWaalsContact CE2-O 3.24Å; F81-G83 WeakPolarHBondContact CE2-O 3.34Å; F81-G83 VanDerWaalsContact CZ-CA 3.41Å; F81-G83 WeakPolarHBondContact CZ-O 3.4Å; G83-R111 WeakPolarHBondContact CA-O 3.33Å
84	I	86.7	Confident	73.7	Confident	23 Å²	23	76.8 Å²	76.8	12%	0.118	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.5	178.4	-172.8	168.2	0	0	0	111.4	V67 F68 E69 F81 E86 R111	V67-I84 HydrophobicContact CG1-CD1 3.52Å; V67-I84 HydrophobicContact CG1-CG1 3.71Å; F68-I84 CarbonylContact O-C 3.6Å; F68-I84 VanDerWaalsContact O-CA 3.24Å; F68-I84 WeakPolarHBondContact O-CA 3.48Å; E69-I84 HydrophobicContact CG-CB 4.38Å; E69-I84 HydrophobicContact CG-CD1 3.98Å; E69-I84 HydrophobicContact CG-CG1 3.98Å; F81-I84 HydrophobicContact CE2-CB 4.22Å; F81-I84 HydrophobicContact CZ-CB 3.78Å; F81-I84 HydrophobicContact CZ-CG2 4.04Å; I84-E86 HydrophobicContact CD1-CG 4.25Å; I84-E86 HydrophobicContact CG1-CG 4.21Å; I84-R111 HydrophobicContact CG2-CB 4.3Å; I84-R111 WeakPolarHBondContact CG2-O 2.99Å; I84-R111 PolarHBondContact N-O 2.88Å; I84-R111 PolarHBondContact O-N 3.32Å
85	V	85.5	Confident	74.6	Confident	8 Å²	8	76.2 Å²	76.2	5%	0.048	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.1	167.1	174.3	0	0	0	0	108.2	V67 F68 I87 C108 L110 L123	V67-V85 CarbonylContact C-O 3.5Å; V67-V85 WeakPolarHBondContact CA-O 3.4Å; F68-V85 HydrophobicContact CB-CB 4.26Å; F68-V85 HydrophobicContact CD2-CB 4.41Å; F68-V85 HydrophobicContact CD2-CG1 4.4Å; F68-V85 PolarHBondContact N-O 2.93Å; F68-V85 PolarHBondContact O-N 3.46Å; V85-I87 HydrophobicContact CG1-CD1 4.27Å; V85-I87 HydrophobicContact CG1-CG1 3.9Å; V85-C108 HydrophobicContact CB-CB 4.47Å; V85-C108 HydrophobicContact CG1-CB 3.61Å; V85-C108 HydrophobicContact CG2-CB 3.98Å; V85-L110 HydrophobicContact CG2-CD2 3.93Å; V85-L123 HydrophobicContact CG2-CB 4.17Å; V85-L123 HydrophobicContact CG2-CD2 4.36Å
86	E	86.3	Confident	76	Confident	98 Å²	98	70.1 Å²	70.1	46%	0.458	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.1	172.7	-59.7	-166	123.5	0	0	110	K65 I66 V67 I84	K65-E86 IonicContact NZ-OE1 3.72Å; K65-E86 PolarHBondContact NZ-OE1 2.62Å; K65-E86 IonicContact NZ-OE2 2.75Å; I66-E86 CarbonylContact O-C 3.58Å; I66-E86 WeakPolarHBondContact O-CA 3.27Å; V67-E86 HydrophobicContact CG1-CG 4.31Å; V67-E86 HydrophobicContact CG2-CG 4.12Å; I84-E86 HydrophobicContact CD1-CG 4.25Å; I84-E86 HydrophobicContact CG1-CG 4.21Å
87	I	85.5	Confident	77.4	Confident	11 Å²	11	64.9 Å²	64.9	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	105.2	-179	-52.7	-171.3	0	0	0	108.2	K65 I66 F68 V85 L89 V92 L125 L127	K65-I87 CarbonylContact C-O 3.5Å; K65-I87 VanDerWaalsContact CA-O 3.27Å; K65-I87 WeakPolarHBondContact CA-O 3.21Å; K65-I87 WeakPolarHBondContact CB-O 3.08Å; I66-I87 PolarHBondContact N-O 2.86Å; I66-I87 PolarHBondContact O-N 2.67Å; F68-I87 HydrophobicContact CD2-CD1 4.37Å; F68-I87 HydrophobicContact CE2-CD1 3.85Å; F68-I87 HydrophobicContact CE2-CG1 4.42Å; V85-I87 HydrophobicContact CG1-CD1 4.27Å; V85-I87 HydrophobicContact CG1-CG1 3.9Å; I87-L89 HydrophobicContact CG2-CD2 4.43Å; I87-L89 PolarHBondContact O-N 3.37Å; I87-V92 HydrophobicContact CG2-CB 4.29Å; I87-V92 HydrophobicContact CG2-CG1 4.28Å; I87-V92 HydrophobicContact CG2-CG2 3.87Å; I87-L125 HydrophobicContact CD1-CD1 3.61Å; I87-L127 HydrophobicContact CD1-CD1 3.65Å; I87-L127 HydrophobicContact CG2-CD1 4.25Å
88	D	83.6	Confident	78.2	Confident	77 Å²	77	68.1 Å²	68.1	41%	0.412	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.3	172.7	-178.4	-21.2	0	0	0	109.5	Q90 A91 V92	D88-Q90 PolarHBondContact O-N 3.28Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.35Å; D88-Q90 PolarHBondContact OD1-N 2.98Å; D88-A91 HydrophobicContact CB-CB 3.95Å; D88-A91 PolarHBondContact O-N 3.17Å; D88-A91 PolarHBondContact OD1-N 2.95Å; D88-V92 VanDerWaalsContact O-CB 3.29Å; D88-V92 WeakPolarHBondContact O-CB 3.23Å; D88-V92 WeakPolarHBondContact O-CG2 3.41Å; D88-V92 PolarHBondContact O-N 3.19Å
89	L	81.7	Confident	78.7	Confident	5 Å²	5	68 Å²	68	3%	0.026	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21	-174.8	-57	-178.3	0	0	0	112.8	M27 V59 P61 C64 I66 I87 I94	M27-L89 HydrophobicContact CE-CD2 4.07Å; M27-L89 HydrophobicContact SD-CD1 4.23Å; M27-L89 HydrophobicContact SD-CD2 3.89Å; V59-L89 HydrophobicContact CB-CD1 3.83Å; V59-L89 HydrophobicContact CG1-CD1 4.23Å; V59-L89 HydrophobicContact CG2-CD1 3.78Å; P61-L89 HydrophobicContact CB-CB 4.48Å; P61-L89 CarbonylContact O-C 3.55Å; C64-L89 HydrophobicContact CB-CD1 4Å; C64-L89 VanDerWaalsContact O-CB 3.31Å; C64-L89 WeakPolarHBondContact O-CB 3.49Å; C64-L89 VanDerWaalsContact O-CG 3.3Å; C64-L89 WeakPolarHBondContact O-CG 3.26Å; C64-L89 PolarHBondContact O-N 2.93Å; I66-L89 HydrophobicContact CD1-CD1 4.42Å; I66-L89 HydrophobicContact CD1-CD2 3.91Å; I66-L89 HydrophobicContact CG1-CD1 4.26Å; I66-L89 HydrophobicContact CG1-CD2 4.02Å; I66-L89 HydrophobicContact CG1-CG 4.37Å; I87-L89 HydrophobicContact CG2-CD2 4.43Å; I87-L89 PolarHBondContact O-N 3.37Å; L89-I94 HydrophobicContact CD2-CD1 3.47Å; L89-I94 VanDerWaalsContact CD2-CD1 3.47Å
90	Q	77.3	Confident	78.3	Confident	130 Å²	130	69.5 Å²	69.5	61%	0.607	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-39.5	176.5	-170.5	-178.6	26.3	0	0	110.8	P61 D88 V92	P61-Q90 WeakPolarHBondContact O-CA 3.22Å; P61-Q90 WeakPolarHBondContact O-CB 3.49Å; P61-Q90 PolarHBondContact O-N 3.32Å; P61-Q90 VanDerWaalsContact O-N 3.14Å; D88-Q90 PolarHBondContact O-N 3.28Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.35Å; D88-Q90 PolarHBondContact OD1-N 2.98Å; Q90-V92 VanDerWaalsContact C-N 3.31Å
91	A	77.2	Confident	78.2	Confident	70 Å²	70	71.1 Å²	71.1	58%	0.579	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.6	178.7	0	0	0	0	0	112.3	D88	D88-A91 HydrophobicContact CB-CB 3.95Å; D88-A91 PolarHBondContact O-N 3.17Å; D88-A91 PolarHBondContact OD1-N 2.95Å
92	V	76.5	Confident	77.2	Confident	27 Å²	27	77.7 Å²	77.7	16%	0.164	40%	0.402	C	S	.	.	S	Bend	trans	-101.3	121.9	-169.6	176.5	0	0	0	0	112.4	I87 D88 Q90 I94 W155	I87-V92 HydrophobicContact CG2-CB 4.29Å; I87-V92 HydrophobicContact CG2-CG1 4.28Å; I87-V92 HydrophobicContact CG2-CG2 3.87Å; D88-V92 VanDerWaalsContact O-CB 3.29Å; D88-V92 WeakPolarHBondContact O-CB 3.23Å; D88-V92 WeakPolarHBondContact O-CG2 3.41Å; D88-V92 PolarHBondContact O-N 3.19Å; Q90-V92 VanDerWaalsContact C-N 3.31Å; V92-I94 HydrophobicContact CB-CG1 4.43Å; V92-I94 HydrophobicContact CG1-CD1 4.28Å; V92-I94 HydrophobicContact CG1-CG1 3.74Å; V92-I94 PolarHBondContact O-N 2.77Å; V92-I94 VanDerWaalsContact O-N 3.13Å; V92-W155 VanDerWaalsContact CA-CH2 3.43Å; V92-W155 HydrophobicContact CB-CH2 3.64Å; V92-W155 HydrophobicContact CB-CZ3 3.99Å; V92-W155 HydrophobicContact CG1-CH2 3.31Å; V92-W155 HydrophobicContact CG1-CZ2 3.8Å; V92-W155 HydrophobicContact CG1-CZ3 4.02Å; V92-W155 HydrophobicContact CG2-CH2 3.75Å; V92-W155 HydrophobicContact CG2-CZ3 3.56Å
93	R	76.1	Confident	76.9	Confident	228 Å²	228	76.6 Å²	76.6	86%	0.86	40%	0.397	S	S	*	.			trans	-70.7	106.1	167.8	-65.5	-171.2	-161.4	-139.8	3.6	111
94	I	82.1	Confident	76.5	Confident	20 Å²	20	84.2 Å²	84.2	10%	0.103	43%	0.426	C	S	.	.			trans	-106	126.3	177	-62.5	167.2	0	0	0	109.4	M27 L89 V92 L127 Y129	M27-I94 HydrophobicContact CE-CD1 3.77Å; M27-I94 HydrophobicContact SD-CD1 4.33Å; L89-I94 HydrophobicContact CD2-CD1 3.47Å; L89-I94 VanDerWaalsContact CD2-CD1 3.47Å; V92-I94 HydrophobicContact CB-CG1 4.43Å; V92-I94 HydrophobicContact CG1-CD1 4.28Å; V92-I94 HydrophobicContact CG1-CG1 3.74Å; V92-I94 PolarHBondContact O-N 2.77Å; V92-I94 VanDerWaalsContact O-N 3.13Å; I94-L127 HydrophobicContact CG2-CB 4.21Å; I94-Y129 HydrophobicContact CB-CD2 4.08Å; I94-Y129 HydrophobicContact CB-CE2 3.62Å; I94-Y129 HydrophobicContact CD1-CE2 4.47Å; I94-Y129 HydrophobicContact CG2-CD2 3.84Å; I94-Y129 HydrophobicContact CG2-CE2 3.81Å; I94-Y129 HydrophobicContact CG2-CG 4.39Å
95	P	80.2	Confident	76	Confident	39 Å²	39	87.3 Å²	87.3	25%	0.253	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-70.3	153.6	-179.7	29.3	-34.7	0	0	0	112.3	V103 L127 S128 Y129	P95-V103 HydrophobicContact CG-CG1 4.48Å; P95-L127 WeakPolarHBondContact CD-O 3.35Å; P95-S128 CarbonylContact O-C 3.5Å; P95-S128 WeakPolarHBondContact O-CA 3.39Å; P95-S128 WeakPolarHBondContact O-CB 3.47Å; P95-Y129 PolarHBondContact O-N 3.13Å
96	K	79.3	Confident	75.5	Confident	76 Å²	76	90.7 Å²	90.7	33%	0.33	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-83.6	135.6	165.4	-67.6	-175.4	178.5	-175.8	0	110.2	Y129 E137	K96-Y129 CarbonylContact C-O 3.52Å; K96-Y129 VanDerWaalsContact CA-O 3.28Å; K96-Y129 WeakPolarHBondContact CA-O 3.43Å; K96-E137 IonicContact NZ-OE2 3.19Å
97	E	74.4	Confident	75.2	Confident	56 Å²	56	89.9 Å²	89.9	26%	0.262	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-66.7	130	174.8	-166.7	167.8	-162.5	0	0	109.7	H28 Y129	H28-E97 IonicContact CG-OE2 2.8Å; H28-E97 IonicContact ND1-OE1 3.39Å; H28-E97 IonicContact ND1-OE2 2.84Å; H28-E97 PolarHBondContact ND1-OE2 3.43Å; E97-Y129 PolarHBondContact N-O 3.35Å
98	R	71.9	Confident	75	Confident	162 Å²	162	90.8 Å²	90.8	61%	0.611	46%	0.459	S	S	*	.			trans	-141	145.9	179.8	-68.7	-176.3	179.4	174.1	-1.7	109.3	G100 R101	R98-G100 PolarHBondContact O-N 2.69Å; R98-R101 HydrophobicContact CB-CB 4.23Å; R98-R101 PolarHBondContact O-N 2.9Å; R98-R101 VanDerWaalsContact O-N 3.08Å
99	P	64.5	Low	75	Confident	141 Å²	141	92.3 Å²	92.3	92%	0.916	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126	173.7	-21.2	30.9	0	0	0	110.9	R101	P99-R101 PolarHBondContact O-N 2.84Å
100	G	65.4	Low	74.9	Confident	93 Å²	93	92.3 Å²	92.3	96%	0.959	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-7.4	179.8	0	0	0	0	0	116.1	R98	R98-G100 PolarHBondContact O-N 2.69Å
101	R	68.3	Low	75	Confident	139 Å²	139	93.4 Å²	93.4	53%	0.525	47%	0.466	S	S	.	.			trans	-96.6	111.9	174.3	-168.8	-175	-172.8	-172.7	7.7	110.3	R98 P99	R98-R101 HydrophobicContact CB-CB 4.23Å; R98-R101 PolarHBondContact O-N 2.9Å; R98-R101 VanDerWaalsContact O-N 3.08Å; P99-R101 PolarHBondContact O-N 2.84Å
102	M	59.8	Low	74.9	Confident	169 Å²	169	93.1 Å²	93.1	83%	0.833	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-69.3	129.1	172.3	-109	177.3	65.2	0	0	111
103	V	71	Confident	74.5	Confident	36 Å²	36	98.9 Å²	98.9	22%	0.218	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-80.4	116.4	169.4	-177	0	0	0	0	107.7	P95 A126 L127	P95-V103 HydrophobicContact CG-CG1 4.48Å; V103-A126 HydrophobicContact CG1-CB 4.07Å; V103-L127 WeakPolarHBondContact CG1-O 3.26Å
104	R	73	Confident	73.5	Confident	161 Å²	161	89.9 Å²	89.9	61%	0.608	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-76.2	137.3	177.2	-87.9	176.6	62	-173.8	-14.9	111.3	D151	R104-D151 IonicContact CZ-OD2 2.68Å; R104-D151 IonicContact NH1-OD2 3.06Å; R104-D151 PolarHBondContact NH1-OD2 2.97Å; R104-D151 IonicContact NH2-OD2 2.87Å; R104-D151 PolarHBondContact NH2-OD2 3.45Å
105	E	76.4	Confident	72.3	Confident	87 Å²	87	97.6 Å²	97.6	41%	0.407	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-66.1	145.8	168.9	-65.6	167.9	-160.8	0	0	111	H31 L125 A126	H31-E105 IonicContact CE1-OE1 3.56Å; H31-E105 PolarHBondContact CE1-OE1 3.28Å; H31-E105 IonicContact CE1-OE2 3.69Å; H31-E105 IonicContact CG-OE1 2.85Å; H31-E105 IonicContact ND1-OE1 3.63Å; H31-E105 PolarHBondContact ND1-OE1 3.1Å; H31-E105 IonicContact ND1-OE2 3.72Å; E105-L125 CarbonylContact C-O 3.56Å; E105-L125 WeakPolarHBondContact CA-O 3.44Å; E105-A126 HydrophobicContact CG-CB 4.16Å
106	K	75.7	Confident	71	Confident	80 Å²	80	104.7 Å²	104.7	35%	0.348	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.6	175.7	-69.6	-175.6	177.6	176	0	110.1	R124 L125 W155	K106-R124 CarbonylContact O-C 3.57Å; K106-R124 WeakPolarHBondContact O-CA 2.98Å; K106-L125 PolarHBondContact N-O 3.33Å; K106-L125 PolarHBondContact O-N 3.47Å; K106-W155 VanDerWaalsContact NZ-CZ2 3.32Å
107	N	79.6	Confident	70	Confident	80 Å²	80	102.8 Å²	102.8	43%	0.428	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.3	175.1	-65.4	7.9	0	0	0	110.2	E122 L123 R124	N107-E122 HydrophobicContact CB-CB 4.48Å; N107-E122 WeakPolarHBondContact CB-OE2 3.23Å; N107-E122 PolarHBondContact ND2-OE2 2.88Å; N107-L123 CarbonylContact C-O 3.54Å; N107-R124 WeakPolarHBondContact OD1-CD 3.44Å; N107-R124 VanDerWaalsContact OD1-CG 3.3Å; N107-R124 WeakPolarHBondContact OD1-CG 3.49Å
108	C	81.1	Confident	69.4	Low	30 Å²	30	110.1 Å²	110.1	20%	0.203	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118	177.9	-64.4	0	0	0	0	109.4	V85 L110 E122 L123	V85-C108 HydrophobicContact CB-CB 4.47Å; V85-C108 HydrophobicContact CG1-CB 3.61Å; V85-C108 HydrophobicContact CG2-CB 3.98Å; C108-L110 PolarHBondContact O-N 3Å; C108-E122 CarbonylContact O-C 3.36Å; C108-E122 WeakPolarHBondContact O-CA 3.43Å; C108-L123 PolarHBondContact N-O 2.91Å; C108-L123 PolarHBondContact O-N 2.84Å
109	L	83.3	Confident	69	Low	109 Å²	109	103.4 Å²	103.4	57%	0.571	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.8	179.3	-170.8	73	0	0	0	111	R111 G121 E122	L109-R111 PolarHBondContact O-N 3.32Å; L109-G121 WeakPolarHBondContact CD1-O 3.43Å; L109-E122 HydrophobicContact CD1-CG 3.86Å
110	L	79.8	Confident	69.1	Low	6 Å²	6	105.8 Å²	105.8	3%	0.031	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-67.2	130.8	172.9	-72	165.6	0	0	0	109.8	Q34 V70 V85 C108 V119 G121	Q34-L110 HydrophobicContact CG-CD1 4.2Å; V70-L110 HydrophobicContact CB-CD2 4.47Å; V70-L110 HydrophobicContact CG2-CD2 3.78Å; V85-L110 HydrophobicContact CG2-CD2 3.93Å; C108-L110 PolarHBondContact O-N 3Å; L110-V119 HydrophobicContact CB-CG1 3.57Å; L110-G121 WeakPolarHBondContact CB-O 3.47Å; L110-G121 PolarHBondContact N-O 3.37Å
111	R	79.8	Confident	69.5	Low	152 Å²	152	101.8 Å²	101.8	57%	0.574	47%	0.47	S	S	*	.	B	Isolated β-bridge	trans	-103.4	146.1	176.9	-63.3	-176.1	-176.9	169.4	2.2	110.4	G83 I84 L109	G83-R111 WeakPolarHBondContact CA-O 3.33Å; I84-R111 HydrophobicContact CG2-CB 4.3Å; I84-R111 WeakPolarHBondContact CG2-O 2.99Å; I84-R111 PolarHBondContact N-O 2.88Å; I84-R111 PolarHBondContact O-N 3.32Å; L109-R111 PolarHBondContact O-N 3.32Å
112	P	75.9	Confident	69.9	Low	64 Å²	64	98.5 Å²	98.5	42%	0.416	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-72.2	146.1	169.3	31.4	-34.1	0	0	0	110.3	S114 S117 V119	P112-S114 VanDerWaalsContact C-N 3.31Å; P112-S117 VanDerWaalsContact CB-O 3.24Å; P112-S117 WeakPolarHBondContact CB-O 3.23Å; P112-V119 HydrophobicContact CB-CB 4.05Å; P112-V119 HydrophobicContact CB-CG2 4.04Å
113	R	66.8	Low	70.8	Confident	148 Å²	148	90.5 Å²	90.5	56%	0.558	42%	0.421	S	S	*	.	S	Bend	trans	-76.8	-20.6	173.9	-172.1	173.2	71.7	-168.7	1.9	112.8	F81	F81-R113 HydrophobicContact CD1-CB 4.27Å; F81-R113 HydrophobicContact CE1-CB 3.57Å; F81-R113 HydrophobicContact CZ-CB 3.84Å
114	S	55.9	Low	71.1	Confident	39 Å²	39	92.1 Å²	92.1	27%	0.273	42%	0.424	S	S	.	.	S	Bend	trans	-149.8	154.3	-177.8	174.5	0	0	0	0	110.1	P112 K116 S117	P112-S114 VanDerWaalsContact C-N 3.31Å; S114-K116 PolarHBondContact O-N 3.02Å; S114-K116 VanDerWaalsContact O-N 3.11Å; S114-K116 PolarHBondContact OG-N 2.79Å; S114-S117 WeakPolarHBondContact O-CB 3.34Å; S114-S117 PolarHBondContact O-N 3.27Å
115	L	56.2	Low	71.7	Confident	183 Å²	183	84.5 Å²	84.5	96%	0.958	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.5	174.4	-68.2	169.8	0	0	0	113.7
116	K	53.3	Low	71.9	Confident	187 Å²	187	80.6 Å²	80.6	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.4	174.7	-68.7	-176.2	179.9	175	0	113	S114 K118	S114-K116 PolarHBondContact O-N 3.02Å; S114-K116 VanDerWaalsContact O-N 3.11Å; S114-K116 PolarHBondContact OG-N 2.79Å; K116-K118 PolarHBondContact O-N 3.11Å
117	S	57.3	Low	72.3	Confident	36 Å²	36	77.7 Å²	77.7	25%	0.252	37%	0.366	S	S	.	.			trans	-82	118.6	-175.9	-174.6	0	0	0	0	110	P112 S114 V119	P112-S117 VanDerWaalsContact CB-O 3.24Å; P112-S117 WeakPolarHBondContact CB-O 3.23Å; S114-S117 WeakPolarHBondContact O-CB 3.34Å; S114-S117 PolarHBondContact O-N 3.27Å; S117-V119 PolarHBondContact O-N 3.06Å; S117-V119 WeakPolarHBondContact OG-CG2 3.48Å
118	K	61.7	Low	72.5	Confident	210 Å²	210	74.1 Å²	74.1	91%	0.913	35%	0.347	S	S	*	.			trans	-91.4	81.4	176.1	-72.7	-176.3	-179.6	175.3	0	109.7	K116	K116-K118 PolarHBondContact O-N 3.11Å
119	V	64.2	Low	72.7	Confident	22 Å²	22	73.3 Å²	73.3	13%	0.133	34%	0.34	C	S	.	.			trans	-92.2	135.9	177.1	168.3	0	0	0	0	110.7	F81 L82 L110 P112 S117	F81-V119 HydrophobicContact CE1-CG2 4.31Å; L82-V119 WeakPolarHBondContact O-CG1 3.36Å; L82-V119 VanDerWaalsContact O-CG2 3.28Å; L82-V119 WeakPolarHBondContact O-CG2 3.27Å; L110-V119 HydrophobicContact CB-CG1 3.57Å; P112-V119 HydrophobicContact CB-CB 4.05Å; P112-V119 HydrophobicContact CB-CG2 4.04Å; S117-V119 PolarHBondContact O-N 3.06Å; S117-V119 WeakPolarHBondContact OG-CG2 3.48Å
120	R	67.2	Low	72.6	Confident	190 Å²	190	70.3 Å²	70.3	72%	0.717	33%	0.326	S	S	*	.			trans	-142.9	141.3	169.8	-72.6	-173.7	172.5	179	-1.8	110
121	G	72.3	Confident	72.1	Confident	10 Å²	10	72.7 Å²	72.7	10%	0.103	35%	0.347	C	S	.	.			trans	139.7	165.6	174.2	0	0	0	0	0	112.2	L109 L110	L109-G121 WeakPolarHBondContact CD1-O 3.43Å; L110-G121 WeakPolarHBondContact CB-O 3.47Å; L110-G121 PolarHBondContact N-O 3.37Å
122	E	78.1	Confident	71.2	Confident	70 Å²	70	69.8 Å²	69.8	33%	0.327	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139	174.4	-66.5	176.5	-171.5	0	0	109.4	Q34 D35 N107 C108 L109	Q34-E122 CarbonylContact C-O 3.52Å; Q34-E122 VanDerWaalsContact CA-O 3.22Å; Q34-E122 WeakPolarHBondContact CA-O 3.3Å; D35-E122 PolarHBondContact N-O 3.14Å; D35-E122 PolarHBondContact O-N 3.02Å; N107-E122 HydrophobicContact CB-CB 4.48Å; N107-E122 WeakPolarHBondContact CB-OE2 3.23Å; N107-E122 PolarHBondContact ND2-OE2 2.88Å; C108-E122 CarbonylContact O-C 3.36Å; C108-E122 WeakPolarHBondContact O-CA 3.43Å; L109-E122 HydrophobicContact CD1-CG 3.86Å
123	L	77.8	Confident	70.3	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.6	171.9	-157.7	78.9	0	0	0	108.7	L10 V32 S33 W51 F68 V70 V85 N107 C108 L125	L10-L123 HydrophobicContact CD1-CD1 4.33Å; L10-L123 HydrophobicContact CD1-CD2 4.38Å; V32-L123 HydrophobicContact CG1-CD1 3.59Å; V32-L123 HydrophobicContact CG1-CD2 3.8Å; V32-L123 HydrophobicContact CG1-CG 3.6Å; S33-L123 CarbonylContact O-C 3.27Å; S33-L123 WeakPolarHBondContact O-CA 3.3Å; W51-L123 HydrophobicContact CZ3-CD1 4.16Å; F68-L123 HydrophobicContact CB-CD2 3.86Å; F68-L123 HydrophobicContact CD1-CD2 4.42Å; F68-L123 HydrophobicContact CD2-CD2 4.43Å; F68-L123 HydrophobicContact CG-CD2 3.98Å; V70-L123 HydrophobicContact CG2-CD1 3.96Å; V85-L123 HydrophobicContact CG2-CB 4.17Å; V85-L123 HydrophobicContact CG2-CD2 4.36Å; N107-L123 CarbonylContact C-O 3.54Å; C108-L123 PolarHBondContact N-O 2.91Å; C108-L123 PolarHBondContact O-N 2.84Å; L123-L125 HydrophobicContact CD2-CD1 3.98Å; L123-L125 HydrophobicContact CD2-CD2 3.66Å; L123-L125 HydrophobicContact CD2-CG 3.93Å; L123-L125 HydrophobicContact CG-CD2 4.1Å; L123-L125 HydrophobicContact CG-CG 4.23Å
124	R	78.7	Confident	69.7	Low	70 Å²	70	70.6 Å²	70.6	26%	0.264	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.3	172.6	-51.5	-161.9	-179.6	170.8	4.1	109	V32 S33 D35 K106 N107	V32-R124 VanDerWaalsContact CA-O 3.26Å; V32-R124 WeakPolarHBondContact CA-O 3.46Å; S33-R124 PolarHBondContact N-O 3.06Å; S33-R124 PolarHBondContact O-N 2.89Å; S33-R124 WeakPolarHBondContact OG-CB 3.17Å; S33-R124 WeakPolarHBondContact OG-CG 3.46Å; D35-R124 IonicContact OD2-CZ 2.79Å; D35-R124 IonicContact OD2-NH2 3.5Å; D35-R124 PolarHBondContact OD2-NH2 3.03Å; K106-R124 CarbonylContact O-C 3.57Å; K106-R124 WeakPolarHBondContact O-CA 2.98Å; N107-R124 WeakPolarHBondContact OD1-CD 3.44Å; N107-R124 VanDerWaalsContact OD1-CG 3.3Å; N107-R124 WeakPolarHBondContact OD1-CG 3.49Å
125	L	83.6	Confident	69.4	Low	1 Å²	1	71.4 Å²	71.4	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.2	-175.5	-62.5	173.9	0	0	0	110.8	L29 V32 F68 I87 E105 K106 L123	L29-L125 HydrophobicContact CD1-CB 4.38Å; L29-L125 HydrophobicContact CD1-CD2 3.98Å; V32-L125 HydrophobicContact CB-CD2 4.05Å; V32-L125 HydrophobicContact CG1-CD2 3.59Å; V32-L125 HydrophobicContact CG2-CD2 3.59Å; F68-L125 HydrophobicContact CD2-CD1 3.84Å; F68-L125 HydrophobicContact CE1-CD2 4.3Å; F68-L125 HydrophobicContact CE2-CD1 3.57Å; F68-L125 HydrophobicContact CE2-CD2 4.41Å; F68-L125 HydrophobicContact CZ-CD1 4.11Å; F68-L125 HydrophobicContact CZ-CD2 4.18Å; I87-L125 HydrophobicContact CD1-CD1 3.61Å; E105-L125 CarbonylContact C-O 3.56Å; E105-L125 WeakPolarHBondContact CA-O 3.44Å; K106-L125 PolarHBondContact N-O 3.33Å; K106-L125 PolarHBondContact O-N 3.47Å; L123-L125 HydrophobicContact CD2-CD1 3.98Å; L123-L125 HydrophobicContact CD2-CD2 3.66Å; L123-L125 HydrophobicContact CD2-CG 3.93Å; L123-L125 HydrophobicContact CG-CD2 4.1Å; L123-L125 HydrophobicContact CG-CG 4.23Å
126	A	82	Confident	68.6	Low	6 Å²	6	70.4 Å²	70.4	5%	0.05	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	167.2	0	0	0	0	0	110.3	L29 R30 V103 E105	L29-A126 WeakPolarHBondContact CA-O 3.29Å; R30-A126 HydrophobicContact CB-CB 4.35Å; R30-A126 PolarHBondContact N-O 2.78Å; R30-A126 WeakPolarHBondContact O-CA 3.28Å; R30-A126 VanDerWaalsContact O-CB 3.25Å; R30-A126 WeakPolarHBondContact O-CB 3.13Å; R30-A126 PolarHBondContact O-N 2.81Å; V103-A126 HydrophobicContact CG1-CB 4.07Å; E105-A126 HydrophobicContact CG-CB 4.16Å
127	L	84.3	Confident	68.2	Low	19 Å²	19	68.5 Å²	68.5	10%	0.099	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132	-175	-60.5	165	0	0	0	110.1	M27 L29 I87 I94 P95 V103	M27-L127 HydrophobicContact CE-CB 3.78Å; M27-L127 HydrophobicContact CE-CD1 4.36Å; M27-L127 HydrophobicContact CE-CD2 3.38Å; M27-L127 HydrophobicContact CE-CG 4.01Å; L29-L127 HydrophobicContact CB-CD2 4.22Å; L29-L127 HydrophobicContact CD1-CD2 3.41Å; L29-L127 VanDerWaalsContact CD1-CD2 3.41Å; L29-L127 HydrophobicContact CD1-CG 4.34Å; L29-L127 HydrophobicContact CG-CD2 4.35Å; I87-L127 HydrophobicContact CD1-CD1 3.65Å; I87-L127 HydrophobicContact CG2-CD1 4.25Å; I94-L127 HydrophobicContact CG2-CB 4.21Å; P95-L127 WeakPolarHBondContact CD-O 3.35Å; V103-L127 WeakPolarHBondContact CG1-O 3.26Å
128	S	84.2	Confident	67.1	Low	4 Å²	4	77.2 Å²	77.2	3%	0.028	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	156.6	173.7	66.9	0	0	0	0	113.1	M27 H28 P95	M27-S128 CarbonylContact C-O 3.48Å; M27-S128 WeakPolarHBondContact CA-O 3.41Å; M27-S128 WeakPolarHBondContact CG-O 3.38Å; H28-S128 PolarHBondContact N-O 2.8Å; H28-S128 PolarHBondContact O-N 3.29Å; H28-S128 VanDerWaalsContact O-O 3.14Å; H28-S128 PolarHBondContact O-OG 2.83Å; P95-S128 CarbonylContact O-C 3.5Å; P95-S128 WeakPolarHBondContact O-CA 3.39Å; P95-S128 WeakPolarHBondContact O-CB 3.47Å
129	Y	85.3	Confident	66	Low	14 Å²	14	74.7 Å²	74.7	6%	0.055	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.4	169	-68.9	-61.2	0	0	0	110.4	R25 M27 V59 P61 I94 P95 K96 E97	R25-Y129 HydrophobicContact CB-CD1 4.02Å; R25-Y129 HydrophobicContact CB-CE1 4.3Å; M27-Y129 HydrophobicContact CB-CD1 4.01Å; M27-Y129 HydrophobicContact CB-CE1 4.13Å; M27-Y129 HydrophobicContact CG-CD1 4.2Å; M27-Y129 HydrophobicContact CG-CE1 4.18Å; M27-Y129 HydrophobicContact SD-CE1 4.08Å; V59-Y129 HydrophobicContact CG2-CE1 3.98Å; P61-Y129 WeakPolarHBondContact CB-OH 3.35Å; P61-Y129 HydrophobicContact CG-CE1 4.06Å; I94-Y129 HydrophobicContact CB-CD2 4.08Å; I94-Y129 HydrophobicContact CB-CE2 3.62Å; I94-Y129 HydrophobicContact CD1-CE2 4.47Å; I94-Y129 HydrophobicContact CG2-CD2 3.84Å; I94-Y129 HydrophobicContact CG2-CE2 3.81Å; I94-Y129 HydrophobicContact CG2-CG 4.39Å; P95-Y129 PolarHBondContact O-N 3.13Å; K96-Y129 CarbonylContact C-O 3.52Å; K96-Y129 VanDerWaalsContact CA-O 3.28Å; K96-Y129 WeakPolarHBondContact CA-O 3.43Å; E97-Y129 PolarHBondContact N-O 3.35Å
130	V	81	Confident	64.5	Low	45 Å²	45	80.8 Å²	80.8	27%	0.273	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-72.5	135.3	174.2	-172.8	0	0	0	0	108.8	L26 H28 D132	L26-V130 HydrophobicContact CB-CB 4.21Å; L26-V130 HydrophobicContact CB-CG2 4.5Å; L26-V130 HydrophobicContact CD2-CB 4.18Å; L26-V130 HydrophobicContact CD2-CG1 4.37Å; L26-V130 HydrophobicContact CD2-CG2 4.23Å; L26-V130 HydrophobicContact CG-CB 4.34Å; L26-V130 HydrophobicContact CG-CG2 4.19Å; L26-V130 PolarHBondContact O-N 2.98Å; H28-V130 HydrophobicContact CB-CG2 3.68Å; V130-D132 PolarHBondContact O-N 2.67Å
131	A	68.7	Low	62.6	Low	57 Å²	57	78.4 Å²	78.4	47%	0.471	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-67.3	130.6	173.1	0	0	0	0	0	109.8	P133	A131-P133 WeakPolarHBondContact O-CD 3.11Å
132	D	61.2	Low	60.5	Low	90 Å²	90	83.2 Å²	83.2	48%	0.481	46%	0.459	S	S	.	.			trans	-77.1	114.7	-180	-156.8	-30.2	0	0	0	109.1	V130 S134 S135	V130-D132 PolarHBondContact O-N 2.67Å; D132-S134 PolarHBondContact O-N 3.17Å; D132-S134 VanDerWaalsContact O-N 3.15Å; D132-S134 PolarHBondContact OD1-N 3.34Å; D132-S134 PolarHBondContact OD1-OG 3.16Å; D132-S135 PolarHBondContact O-N 2.84Å; D132-S135 PolarHBondContact O-OG 3.12Å
133	P	55.8	Low	58.1	Low	133 Å²	133	83.9 Å²	83.9	86%	0.864	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20	-177.1	25.1	-32.6	0	0	0	112.6	A131	A131-P133 WeakPolarHBondContact O-CD 3.11Å
134	S	54.4	Low	55.9	Low	97 Å²	97	90.1 Å²	90.1	68%	0.678	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.7	177.1	68.9	0	0	0	0	113.5	D132 N136	D132-S134 PolarHBondContact O-N 3.17Å; D132-S134 VanDerWaalsContact O-N 3.15Å; D132-S134 PolarHBondContact OD1-N 3.34Å; D132-S134 PolarHBondContact OD1-OG 3.16Å; S134-N136 PolarHBondContact O-N 2.89Å
135	S	49.8	Very low	53.3	Low	56 Å²	56	95.1 Å²	95.1	39%	0.392	55%	0.546	S	S	.	.			trans	-80.6	102.4	179.3	68.4	0	0	0	0	110.2	D132 E137	D132-S135 PolarHBondContact O-N 2.84Å; D132-S135 PolarHBondContact O-OG 3.12Å; S135-E137 PolarHBondContact O-N 3.12Å
136	N	40.6	Very low	50.6	Low	161 Å²	161	99.8 Å²	99.8	86%	0.861	58%	0.579	S	S	*	*			trans	-74.9	34.1	171.3	-132.8	7.2	0	0	0	111.2	S134 R138	S134-N136 PolarHBondContact O-N 2.89Å; N136-R138 PolarHBondContact O-N 2.9Å
137	E	45	Very low	48.1	Very low	147 Å²	147	109 Å²	109	69%	0.687	62%	0.621	S	S	*	*			trans	-59.1	109.8	175.3	-78.9	-168.8	166.2	0	0	107	K96 S135 I139	K96-E137 IonicContact NZ-OE2 3.19Å; S135-E137 PolarHBondContact O-N 3.12Å; E137-I139 PolarHBondContact O-N 3.17Å
138	R	33.9	Very low	45.4	Very low	220 Å²	220	112.1 Å²	112.1	83%	0.83	65%	0.65	S	S	*	*			trans	-48.7	136	-172.5	-68.5	173.9	178.3	-179.1	-1.7	109.2	N136 D140	N136-R138 PolarHBondContact O-N 2.9Å; R138-D140 PolarHBondContact O-N 2.81Å
139	I	38.8	Very low	42.7	Very low	156 Å²	156	118.9 Å²	118.9	80%	0.8	69%	0.686	S	S	*	*			trans	-57.8	85.1	162.6	-58.2	165.8	0	0	0	105.5	E137 N141	E137-I139 PolarHBondContact O-N 3.17Å; I139-N141 PolarHBondContact O-N 2.95Å
140	D	31.1	Very low	40.1	Very low	151 Å²	151	122.9 Å²	122.9	81%	0.807	72%	0.715	S	S	*	*			trans	-66	112.7	171.6	-93.6	-17.5	0	0	0	106.2	R138	R138-D140 PolarHBondContact O-N 2.81Å
141	N	28.5	Very low	37.7	Very low	140 Å²	140	125.1 Å²	125.1	75%	0.749	73%	0.726	S	S	*	*			trans	-53.6	144.6	-173.6	-70	-64.2	0	0	0	111.3	I139 A143	I139-N141 PolarHBondContact O-N 2.95Å; N141-A143 PolarHBondContact O-N 3.25Å; N141-A143 VanDerWaalsContact O-N 3.08Å
142	A	27.3	Very low	35.9	Very low	110 Å²	110	127 Å²	127	91%	0.909	74%	0.735	S	S	*	*			trans	-34.8	109.7	168.8	0	0	0	0	0	113.1
143	A	29.4	Very low	34.4	Very low	85 Å²	85	125.3 Å²	125.3	70%	0.702	74%	0.739	S	S	*	*			trans	-154.6	130.3	156.2	0	0	0	0	0	107.1	N141	N141-A143 PolarHBondContact O-N 3.25Å; N141-A143 VanDerWaalsContact O-N 3.08Å
144	T	29.7	Very low	33.1	Very low	131 Å²	131	124.8 Å²	124.8	80%	0.804	73%	0.729	S	S	*	*			trans	69.2	66	-179.1	70.6	0	0	0	0	116.3	S146	T144-S146 PolarHBondContact O-N 2.92Å; T144-S146 VanDerWaalsContact O-N 3.13Å
145	D	25	Very low	32.3	Very low	174 Å²	174	126 Å²	126	93%	0.93	72%	0.719	S	S	*	*			trans	-50.5	103.6	136.4	-87.9	-36.6	0	0	0	109.2
146	S	27.7	Very low	31.3	Very low	99 Å²	99	130.9 Å²	130.9	69%	0.692	74%	0.736	S	S	*	*			trans	-171.6	33.3	152.4	54	0	0	0	0	112.8	T144 A148	T144-S146 PolarHBondContact O-N 2.92Å; T144-S146 VanDerWaalsContact O-N 3.13Å; S146-A148 PolarHBondContact O-N 2.72Å
147	E	28	Very low	31.1	Very low	200 Å²	200	128.2 Å²	128.2	94%	0.935	73%	0.725	S	S	*	*			trans	-79.5	68	159.2	-69.8	-161.5	165.7	0	0	108.5	D149	E147-D149 PolarHBondContact O-N 2.86Å; E147-D149 VanDerWaalsContact O-N 3.07Å
148	A	28.6	Very low	30.3	Very low	84 Å²	84	127 Å²	127	69%	0.694	72%	0.722	S	S	*	*			trans	-56.7	106.5	157.8	0	0	0	0	0	107.5	S146 S150	S146-A148 PolarHBondContact O-N 2.72Å; A148-S150 PolarHBondContact O-N 2.68Å
149	D	28.1	Very low	30	Very low	147 Å²	147	120.2 Å²	120.2	79%	0.786	71%	0.707	S	S	*	*			trans	27.8	30.9	143.2	-150.6	23.2	0	0	0	119.8	E147 D151	E147-D149 PolarHBondContact O-N 2.86Å; E147-D149 VanDerWaalsContact O-N 3.07Å; D149-D151 PolarHBondContact O-N 3.44Å
150	S	29.6	Very low	29.6	Very low	97 Å²	97	117.7 Å²	117.7	68%	0.678	71%	0.709	S	S	*	*			trans	-81	54.7	170.7	-178.2	0	0	0	0	109.1	A148 S152	A148-S150 PolarHBondContact O-N 2.68Å; S150-S152 PolarHBondContact O-N 3.27Å; S150-S152 VanDerWaalsContact O-N 3.1Å
151	D	29.9	Very low	29.5	Very low	92 Å²	92	115.7 Å²	115.7	49%	0.492	71%	0.707	S	S	.	*			trans	-69.7	9.5	168.9	-170.8	53.5	0	0	0	112.2	R104 D149 G153	R104-D151 IonicContact CZ-OD2 2.68Å; R104-D151 IonicContact NH1-OD2 3.06Å; R104-D151 PolarHBondContact NH1-OD2 2.97Å; R104-D151 IonicContact NH2-OD2 2.87Å; R104-D151 PolarHBondContact NH2-OD2 3.45Å; D149-D151 PolarHBondContact O-N 3.44Å; D151-G153 PolarHBondContact O-N 2.96Å
152	S	31.5	Very low	29.4	Very low	96 Å²	96	112.4 Å²	112.4	67%	0.671	70%	0.695	S	S	*	*			trans	-76.3	29.1	168	72.3	0	0	0	0	113	S150 N154	S150-S152 PolarHBondContact O-N 3.27Å; S150-S152 VanDerWaalsContact O-N 3.1Å; S152-N154 PolarHBondContact O-N 3.01Å
153	G	29.5	Very low	29.5	Very low	55 Å²	55	115.4 Å²	115.4	57%	0.567	68%	0.683	S	S	*	*			trans	-67.8	59.4	158.3	0	0	0	0	0	109.6	D151 W155	D151-G153 PolarHBondContact O-N 2.96Å; G153-W155 PolarHBondContact O-N 2.8Å
154	N	28.4	Very low	29.5	Very low	122 Å²	122	116 Å²	116	65%	0.652	69%	0.687	S	S	*	*			trans	-49.6	112.4	169.1	-167.7	55	0	0	0	105.6	S152 E156	S152-N154 PolarHBondContact O-N 3.01Å; N154-E156 PolarHBondContact O-N 2.75Å
155	W	37.5	Very low	29.4	Very low	122 Å²	122	112.5 Å²	112.5	46%	0.462	68%	0.677	S	S	.	*			trans	-61.4	92.5	163.8	-64.6	82.3	0	0	0	104.8	V92 K106 G153 V157	V92-W155 VanDerWaalsContact CA-CH2 3.43Å; V92-W155 HydrophobicContact CB-CH2 3.64Å; V92-W155 HydrophobicContact CB-CZ3 3.99Å; V92-W155 HydrophobicContact CG1-CH2 3.31Å; V92-W155 HydrophobicContact CG1-CZ2 3.8Å; V92-W155 HydrophobicContact CG1-CZ3 4.02Å; V92-W155 HydrophobicContact CG2-CH2 3.75Å; V92-W155 HydrophobicContact CG2-CZ3 3.56Å; K106-W155 VanDerWaalsContact NZ-CZ2 3.32Å; G153-W155 PolarHBondContact O-N 2.8Å; W155-V157 PolarHBondContact O-N 3.34Å
156	E	29.3	Very low	29.4	Very low	159 Å²	159	111.2 Å²	111.2	74%	0.743	67%	0.67	S	S	*	*			trans	-66.9	91.7	169.5	-86	-166.7	157.4	0	0	106.6	N154 I158	N154-E156 PolarHBondContact O-N 2.75Å; E156-I158 PolarHBondContact O-N 2.92Å
157	V	36.7	Very low	29.2	Very low	105 Å²	105	114.8 Å²	114.8	64%	0.636	68%	0.68	S	S	*	*			trans	-58	98.1	158.9	179.7	0	0	0	0	104.6	W155 P159	W155-V157 PolarHBondContact O-N 3.34Å; V157-P159 WeakPolarHBondContact O-CD 3.31Å; V157-P159 WeakPolarHBondContact O-CG 3.18Å
158	I	27.8	Very low	29.2	Very low	121 Å²	121	108.8 Å²	108.8	62%	0.621	67%	0.665	S	S	*	*			trans	-55.7	108.1	176.3	-55.8	175.6	0	0	0	106.5	E156 A160	E156-I158 PolarHBondContact O-N 2.92Å; I158-A160 PolarHBondContact O-N 3.42Å
159	P	28.6	Very low	29.1	Very low	79 Å²	79	113.5 Å²	113.5	51%	0.513	67%	0.673	S	S	.	*			trans	-71.4	136.4	175.5	-9.7	27.9	0	0	0	106.5	V157 S161 S162	V157-P159 WeakPolarHBondContact O-CD 3.31Å; V157-P159 WeakPolarHBondContact O-CG 3.18Å; P159-S161 PolarHBondContact O-N 2.98Å; P159-S162 PolarHBondContact O-N 3.02Å; P159-S162 VanDerWaalsContact O-N 3.12Å
160	A	29.9	Very low	28.8	Very low	103 Å²	103	111.8 Å²	111.8	85%	0.851	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-53.2	-20.5	-176.6	0	0	0	0	0	114.1	I158	I158-A160 PolarHBondContact O-N 3.42Å
161	S	28.1	Very low	29	Very low	108 Å²	108	112.6 Å²	112.6	76%	0.755	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-80.8	-15.9	-176.8	-137.3	0	0	0	0	115.2	P159 R163	P159-S161 PolarHBondContact O-N 2.98Å; S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 2.83Å
162	S	26.9	Very low	28.8	Very low	71 Å²	71	114.5 Å²	114.5	50%	0.497	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-87.2	6.8	-175	-54.2	0	0	0	0	114.1	P159 A164	P159-S162 PolarHBondContact O-N 3.02Å; P159-S162 VanDerWaalsContact O-N 3.12Å; S162-A164 VanDerWaalsContact C-N 3.27Å; S162-A164 PolarHBondContact O-N 2.82Å
163	R	29.4	Very low	28.5	Very low	174 Å²	174	115.9 Å²	115.9	66%	0.657	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-78	-9.1	173.3	-153.2	79.2	-67.5	167.3	9.3	113.7	S161	S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 2.83Å
164	A	30.4	Very low	28.6	Very low	96 Å²	96	124.2 Å²	124.2	79%	0.793	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-81.1	-15.9	-179.3	0	0	0	0	0	115.1	S162	S162-A164 VanDerWaalsContact C-N 3.27Å; S162-A164 PolarHBondContact O-N 2.82Å
165	G	26.3	Very low	28.6	Very low	58 Å²	58	125.5 Å²	125.5	60%	0.598	71%	0.711	S	S	*	*	S	Bend	trans	-99.5	-18.7	-164.7	0	0	0	0	0	118.5
166	L	24.8	Very low	28.7	Very low	148 Å²	148	126 Å²	126	78%	0.775	72%	0.721	S	S	*	*			trans	-104.8	21	-167.2	-68.5	175.6	0	0	0	115.1	A168	L166-A168 VanDerWaalsContact C-N 3.29Å
167	L	24.7	Very low	29.6	Very low	173 Å²	173	123.3 Å²	123.3	91%	0.906	71%	0.709	S	S	*	*			trans	-88.4	12	168.3	-72.3	180	0	0	0	113.9
168	A	26.4	Very low	30.8	Very low	75 Å²	75	123.6 Å²	123.6	62%	0.62	71%	0.713	S	S	*	*	S	Bend	trans	-116.9	68.4	179	0	0	0	0	0	111.6	L166	L166-A168 VanDerWaalsContact C-N 3.29Å
169	Q	27.1	Very low	32.5	Very low	182 Å²	182	119.9 Å²	119.9	85%	0.85	69%	0.694	S	S	*	*	S	Bend	trans	172.8	95.3	144.3	-93.3	156.3	84.9	0	0	112.8
170	S	22.8	Very low	34.8	Very low	112 Å²	112	117.8 Å²	117.8	78%	0.783	68%	0.681	S	S	*	*			trans	68.1	152	144.7	72.5	0	0	0	0	119.4
171	P	33	Very low	36.6	Very low	114 Å²	114	117.6 Å²	117.6	74%	0.74	68%	0.679	S	S	*	*				-129.5	106.6	-91.8	31.5	-11.2	0	0	0	112.1
172	T	26.9	Very low	38.3	Very low	132 Å²	132	113.8 Å²	113.8	81%	0.81	66%	0.657	S	S	*	*			trans	-141	75.4	147.1	51.5	0	0	0	0	107.3	R174	T172-R174 PolarHBondContact O-N 2.86Å
173	T	24.5	Very low	40.6	Very low	124 Å²	124	112.8 Å²	112.8	76%	0.761	64%	0.643	S	S	*	*			trans	-55.1	89.4	162.4	-67.7	0	0	0	0	107.4	Q175	T173-Q175 HydrophobicContact CG2-CG 4.04Å; T173-Q175 PolarHBondContact O-N 3.49Å
174	R	30.6	Very low	42.7	Very low	230 Å²	230	107.6 Å²	107.6	87%	0.868	63%	0.626	S	S	*	*			trans	-66	93.3	154.5	-76.4	-170.6	-179.6	-174.3	1.1	104.2	T172 I176	T172-R174 PolarHBondContact O-N 2.86Å; R174-I176 PolarHBondContact O-N 3.08Å
175	Q	29.8	Very low	44.7	Very low	149 Å²	149	107.4 Å²	107.4	70%	0.696	61%	0.608	S	S	*	*			trans	-44.6	106	176.8	-65.7	172.9	-5.4	0	0	108.1	T173 Q177	T173-Q175 HydrophobicContact CG2-CG 4.04Å; T173-Q175 PolarHBondContact O-N 3.49Å; Q175-Q177 PolarHBondContact O-N 3.24Å
176	I	39.4	Very low	46.9	Very low	132 Å²	132	109.8 Å²	109.8	68%	0.677	60%	0.599	S	S	*	*			trans	-66.6	98.5	159.1	-68.1	172.9	0	0	0	103.6	R174 R207	R174-I176 PolarHBondContact O-N 3.08Å; I176-R207 VanDerWaalsContact CG2-NH1 3.33Å
177	Q	47.1	Very low	48.4	Very low	103 Å²	103	107 Å²	107	48%	0.481	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-56.6	136.1	179.2	-74.7	177.9	5.9	0	0	108.7	Q175	Q175-Q177 PolarHBondContact O-N 3.24Å
178	P	62.4	Low	49.4	Very low	111 Å²	111	100.3 Å²	100.3	72%	0.721	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-57.6	145.2	174.6	22.7	-30.9	0	0	0	110.1
179	L	64	Low	49.9	Very low	43 Å²	43	100 Å²	100	23%	0.225	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-55.4	142.8	172	-76	161.9	0	0	0	109.4	W183 E185 Y195 R207 P208	L179-W183 HydrophobicContact CB-CB 4.13Å; L179-W183 HydrophobicContact CD2-CB 4.43Å; L179-E185 HydrophobicContact CD1-CB 3.99Å; L179-Y195 HydrophobicContact CD1-CD1 4.39Å; L179-Y195 HydrophobicContact CD2-CD1 3.76Å; L179-Y195 HydrophobicContact CD2-CE1 3.96Å; L179-R207 HydrophobicContact CD2-CG 4Å; L179-P208 HydrophobicContact CD2-CG 4.23Å
180	P	76.7	Confident	50.5	Low	36 Å²	36	96.8 Å²	96.8	23%	0.234	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-56.6	154.7	176.4	-20	30.6	0	0	0	111.6	G182 W183 P208	P180-G182 PolarHBondContact O-N 2.76Å; P180-W183 WeakPolarHBondContact O-CB 3.32Å; P180-W183 PolarHBondContact O-N 3Å; P180-P208 HydrophobicContact CG-CB 4.03Å
181	A	67.2	Low	51.1	Low	98 Å²	98	94.1 Å²	94.1	81%	0.81	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.7	179.4	0	0	0	0	0	111.3
182	G	65	Low	51.6	Low	29 Å²	29	94.6 Å²	94.6	30%	0.299	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-2.3	-177.3	0	0	0	0	0	115.1	P180 N197 H198	P180-G182 PolarHBondContact O-N 2.76Å; G182-N197 CarbonylContact O-C 3.6Å; G182-N197 WeakPolarHBondContact O-CA 3.24Å; G182-H198 WeakPolarHBondContact O-CB 3.33Å; G182-H198 PolarHBondContact O-CD2 2.88Å; G182-H198 PolarHBondContact O-N 3.43Å
183	W	73.9	Confident	52.9	Low	50 Å²	50	90.8 Å²	90.8	19%	0.189	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.9	175.6	-69	85.3	0	0	0	112.9	L179 P180 V196 N197 Q204 P208	L179-W183 HydrophobicContact CB-CB 4.13Å; L179-W183 HydrophobicContact CD2-CB 4.43Å; P180-W183 WeakPolarHBondContact O-CB 3.32Å; P180-W183 PolarHBondContact O-N 3Å; W183-V196 CarbonylContact C-O 3.59Å; W183-V196 VanDerWaalsContact CA-O 3.25Å; W183-V196 WeakPolarHBondContact CA-O 3.3Å; W183-N197 HydrophobicContact CD2-CB 3.82Å; W183-N197 HydrophobicContact CE3-CB 3.74Å; W183-N197 HydrophobicContact CH2-CB 3.65Å; W183-N197 HydrophobicContact CZ2-CB 3.73Å; W183-N197 VanDerWaalsContact CZ2-ND2 3.26Å; W183-N197 WeakPolarHBondContact CZ2-ND2 3.31Å; W183-N197 HydrophobicContact CZ3-CB 3.65Å; W183-Q204 VanDerWaalsContact CH2-CD 3.46Å; W183-Q204 HydrophobicContact CH2-CG 4.05Å; W183-Q204 HydrophobicContact CZ3-CG 3.77Å; W183-P208 HydrophobicContact CB-CG 4.32Å; W183-P208 HydrophobicContact CD2-CB 3.96Å; W183-P208 HydrophobicContact CD2-CG 3.27Å; W183-P208 HydrophobicContact CE3-CB 4.39Å; W183-P208 HydrophobicContact CE3-CG 3.29Å; W183-P208 HydrophobicContact CG-CB 4.24Å; W183-P208 HydrophobicContact CG-CG 3.78Å; W183-P208 HydrophobicContact CH2-CG 4.05Å; W183-P208 HydrophobicContact CZ2-CB 4.3Å; W183-P208 HydrophobicContact CZ2-CG 4.04Å; W183-P208 HydrophobicContact CZ3-CG 3.69Å
184	E	74	Confident	54.7	Low	64 Å²	64	86.7 Å²	86.7	30%	0.299	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.6	174.2	-178.6	-176.7	179.5	0	0	109.9	R186 Y195 V196 H198	E184-R186 VanDerWaalsContact CD-CZ 3.43Å; E184-R186 VanDerWaalsContact CD-NH1 3.28Å; E184-R186 HydrophobicContact CG-CG 4.47Å; E184-R186 IonicContact OE1-CZ 3.2Å; E184-R186 IonicContact OE1-NE 3.16Å; E184-R186 IonicContact OE1-NH1 2.7Å; E184-R186 IonicContact OE1-NH2 3.14Å; E184-R186 PolarHBondContact OE1-NH2 3.31Å; E184-R186 IonicContact OE2-CZ 3.45Å; E184-R186 IonicContact OE2-NH1 3.29Å; E184-R186 PolarHBondContact OE2-NH1 3.43Å; E184-R186 IonicContact OE2-NH2 3.51Å; E184-R186 PolarHBondContact OE2-NH2 3.01Å; E184-R186 VanDerWaalsContact OE2-NH2 3.14Å; E184-Y195 CarbonylContact O-C 3.54Å; E184-Y195 WeakPolarHBondContact O-CA 3.47Å; E184-V196 HydrophobicContact CB-CB 4.46Å; E184-V196 PolarHBondContact N-O 2.82Å; E184-V196 PolarHBondContact O-N 3.33Å; E184-H198 VanDerWaalsContact CB-NE2 3.32Å; E184-H198 WeakPolarHBondContact CB-NE2 3.44Å; E184-H198 IonicContact OE2-CD2 3.29Å; E184-H198 IonicContact OE2-CE1 2.66Å; E184-H198 PolarHBondContact OE2-CE1 3.08Å; E184-H198 IonicContact OE2-NE2 3.93Å; E184-H198 PolarHBondContact OE2-NE2 2.86Å
185	E	71.5	Confident	56.7	Low	93 Å²	93	76.9 Å²	76.9	44%	0.435	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.9	172.6	-175.8	178.4	160.8	0	0	109.6	L179 T193 Y195	L179-E185 HydrophobicContact CD1-CB 3.99Å; E185-T193 HydrophobicContact CG-CG2 3.35Å; E185-T193 VanDerWaalsContact OE1-CG2 3.25Å; E185-T193 WeakPolarHBondContact OE1-CG2 3.29Å; E185-Y195 HydrophobicContact CB-CD1 4.05Å; E185-Y195 HydrophobicContact CB-CE1 3.98Å; E185-Y195 HydrophobicContact CG-CD1 4.18Å; E185-Y195 HydrophobicContact CG-CE1 3.73Å
186	R	72.4	Confident	58.1	Low	107 Å²	107	70.6 Å²	70.6	40%	0.404	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.4	176.9	-80.3	-163.5	160.3	84	16.9	110.7	E184 T193 F194 V196	E184-R186 VanDerWaalsContact CD-CZ 3.43Å; E184-R186 VanDerWaalsContact CD-NH1 3.28Å; E184-R186 HydrophobicContact CG-CG 4.47Å; E184-R186 IonicContact OE1-CZ 3.2Å; E184-R186 IonicContact OE1-NE 3.16Å; E184-R186 IonicContact OE1-NH1 2.7Å; E184-R186 IonicContact OE1-NH2 3.14Å; E184-R186 PolarHBondContact OE1-NH2 3.31Å; E184-R186 IonicContact OE2-CZ 3.45Å; E184-R186 IonicContact OE2-NH1 3.29Å; E184-R186 PolarHBondContact OE2-NH1 3.43Å; E184-R186 IonicContact OE2-NH2 3.51Å; E184-R186 PolarHBondContact OE2-NH2 3.01Å; E184-R186 VanDerWaalsContact OE2-NH2 3.14Å; R186-T193 CarbonylContact O-C 3.53Å; R186-T193 VanDerWaalsContact O-CA 3.29Å; R186-T193 WeakPolarHBondContact O-CA 3.46Å; R186-F194 HydrophobicContact CB-CD1 4.04Å; R186-F194 HydrophobicContact CB-CD2 4.31Å; R186-F194 HydrophobicContact CB-CE1 3.51Å; R186-F194 HydrophobicContact CB-CE2 3.83Å; R186-F194 HydrophobicContact CB-CG 4.42Å; R186-F194 HydrophobicContact CB-CZ 3.4Å; R186-F194 HydrophobicContact CG-CZ 4.28Å; R186-F194 PolarHBondContact N-O 3.07Å; R186-F194 PolarHBondContact O-N 2.67Å; R186-F194 VanDerWaalsContact O-O 3.04Å; R186-V196 HydrophobicContact CB-CG2 4.39Å; R186-V196 HydrophobicContact CG-CG2 4.2Å
187	V	56.3	Low	59.3	Low	89 Å²	89	64.8 Å²	64.8	54%	0.539	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.2	177.1	-175.4	0	0	0	0	108.6	G191 R192	V187-G191 VanDerWaalsContact CG1-CA 3.45Å; V187-R192 CarbonylContact C-O 3.48Å; V187-R192 WeakPolarHBondContact CA-O 3.43Å
188	D	46.7	Very low	59.7	Low	33 Å²	33	64.7 Å²	64.7	18%	0.176	37%	0.37	C	S	.	.			trans	-76.3	176.2	179.1	77.1	-2.3	0	0	0	112.1	N190 G191 R192 F194 W205	D188-N190 PolarHBondContact O-N 2.71Å; D188-N190 VanDerWaalsContact OD1-C 3.26Å; D188-N190 VanDerWaalsContact OD1-CA 3.29Å; D188-N190 WeakPolarHBondContact OD1-CA 3.19Å; D188-N190 WeakPolarHBondContact OD1-CB 3.42Å; D188-N190 PolarHBondContact OD1-N 3.22Å; D188-G191 PolarHBondContact O-N 2.92Å; D188-G191 PolarHBondContact OD1-N 3.48Å; D188-R192 PolarHBondContact N-O 3.39Å; D188-R192 WeakPolarHBondContact OD1-CB 3.47Å; D188-R192 PolarHBondContact OD1-N 3.02Å; D188-R192 IonicContact OD1-NE 3.72Å; D188-R192 IonicContact OD2-CZ 2.88Å; D188-R192 VanDerWaalsContact OD2-CZ 3.24Å; D188-R192 IonicContact OD2-NE 3.91Å; D188-R192 PolarHBondContact OD2-NE 3.44Å; D188-R192 IonicContact OD2-NH2 3.21Å; D188-R192 PolarHBondContact OD2-NH2 3.47Å; D188-F194 HydrophobicContact CB-CD1 4.15Å; D188-F194 HydrophobicContact CB-CE1 4.06Å; D188-W205 HydrophobicContact CB-CH2 4.38Å; D188-W205 VanDerWaalsContact OD2-CH2 3.29Å; D188-W205 WeakPolarHBondContact OD2-CH2 3.39Å
189	A	37.7	Very low	59.2	Low	70 Å²	70	64.1 Å²	64.1	58%	0.579	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.7	178.8	0	0	0	0	0	113.8
190	N	38	Very low	58.5	Low	114 Å²	114	68.5 Å²	68.5	61%	0.61	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	5.1	179.7	-60.8	44.1	0	0	0	111.8	D188 R192	D188-N190 PolarHBondContact O-N 2.71Å; D188-N190 VanDerWaalsContact OD1-C 3.26Å; D188-N190 VanDerWaalsContact OD1-CA 3.29Å; D188-N190 WeakPolarHBondContact OD1-CA 3.19Å; D188-N190 WeakPolarHBondContact OD1-CB 3.42Å; D188-N190 PolarHBondContact OD1-N 3.22Å; N190-R192 VanDerWaalsContact C-N 3.28Å; N190-R192 HydrophobicContact CB-CG 4.41Å; N190-R192 PolarHBondContact O-N 2.85Å
191	G	36.6	Very low	57.5	Low	56 Å²	56	72.6 Å²	72.6	58%	0.577	39%	0.394	S	S	*	.	S	Bend	trans	77.3	10.1	180	0	0	0	0	0	114.1	V187 D188	V187-G191 VanDerWaalsContact CG1-CA 3.45Å; D188-G191 PolarHBondContact O-N 2.92Å; D188-G191 PolarHBondContact OD1-N 3.48Å
192	R	43.7	Very low	56.6	Low	123 Å²	123	70.3 Å²	70.3	46%	0.464	37%	0.37	S	S	.	.			trans	-86	129.8	178.6	-60.7	-179.2	-65.7	179.3	0.7	110	V187 D188 N190 W205	V187-R192 CarbonylContact C-O 3.48Å; V187-R192 WeakPolarHBondContact CA-O 3.43Å; D188-R192 PolarHBondContact N-O 3.39Å; D188-R192 WeakPolarHBondContact OD1-CB 3.47Å; D188-R192 PolarHBondContact OD1-N 3.02Å; D188-R192 IonicContact OD1-NE 3.72Å; D188-R192 IonicContact OD2-CZ 2.88Å; D188-R192 VanDerWaalsContact OD2-CZ 3.24Å; D188-R192 IonicContact OD2-NE 3.91Å; D188-R192 PolarHBondContact OD2-NE 3.44Å; D188-R192 IonicContact OD2-NH2 3.21Å; D188-R192 PolarHBondContact OD2-NH2 3.47Å; N190-R192 VanDerWaalsContact C-N 3.28Å; N190-R192 HydrophobicContact CB-CG 4.41Å; N190-R192 PolarHBondContact O-N 2.85Å; R192-W205 HydrophobicContact CB-CE3 4.3Å; R192-W205 HydrophobicContact CB-CZ3 3.66Å
193	T	54.1	Low	56.2	Low	53 Å²	53	71.2 Å²	71.2	33%	0.325	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.5	173.1	-55.9	0	0	0	0	110.6	E185 R186 Y195	E185-T193 HydrophobicContact CG-CG2 3.35Å; E185-T193 VanDerWaalsContact OE1-CG2 3.25Å; E185-T193 WeakPolarHBondContact OE1-CG2 3.29Å; R186-T193 CarbonylContact O-C 3.53Å; R186-T193 VanDerWaalsContact O-CA 3.29Å; R186-T193 WeakPolarHBondContact O-CA 3.46Å; T193-Y195 HydrophobicContact CG2-CE1 4.43Å; T193-Y195 HydrophobicContact CG2-CE2 4.22Å
194	F	62.5	Low	55.3	Low	38 Å²	38	72.2 Å²	72.2	17%	0.167	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.2	170.3	69.9	-81.6	0	0	0	110.1	R186 D188 V196 T203 Q204 W205	R186-F194 HydrophobicContact CB-CD1 4.04Å; R186-F194 HydrophobicContact CB-CD2 4.31Å; R186-F194 HydrophobicContact CB-CE1 3.51Å; R186-F194 HydrophobicContact CB-CE2 3.83Å; R186-F194 HydrophobicContact CB-CG 4.42Å; R186-F194 HydrophobicContact CB-CZ 3.4Å; R186-F194 HydrophobicContact CG-CZ 4.28Å; R186-F194 PolarHBondContact N-O 3.07Å; R186-F194 PolarHBondContact O-N 2.67Å; R186-F194 VanDerWaalsContact O-O 3.04Å; D188-F194 HydrophobicContact CB-CD1 4.15Å; D188-F194 HydrophobicContact CB-CE1 4.06Å; F194-V196 HydrophobicContact CD2-CG2 3.89Å; F194-V196 HydrophobicContact CE2-CG2 3.5Å; F194-V196 HydrophobicContact CZ-CG2 4.48Å; F194-T203 HydrophobicContact CD2-CG2 4.31Å; F194-T203 HydrophobicContact CE2-CG2 4.17Å; F194-Q204 CarbonylContact C-O 3.47Å; F194-Q204 WeakPolarHBondContact CA-O 3.45Å; F194-W205 HydrophobicContact CB-CD2 4.33Å; F194-W205 HydrophobicContact CB-CE3 3.68Å; F194-W205 HydrophobicContact CB-CZ3 3.78Å; F194-W205 HydrophobicContact CD1-CZ3 4.44Å; F194-W205 HydrophobicContact CG-CZ3 4.46Å
195	Y	71.7	Confident	54.9	Low	24 Å²	24	72.8 Å²	72.8	9%	0.094	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.4	-174.5	-57.2	-88.1	0	0	0	109.9	L179 E184 E185 T193 T203 Q204 W205 E206 R207 P208	L179-Y195 HydrophobicContact CD1-CD1 4.39Å; L179-Y195 HydrophobicContact CD2-CD1 3.76Å; L179-Y195 HydrophobicContact CD2-CE1 3.96Å; E184-Y195 CarbonylContact O-C 3.54Å; E184-Y195 WeakPolarHBondContact O-CA 3.47Å; E185-Y195 HydrophobicContact CB-CD1 4.05Å; E185-Y195 HydrophobicContact CB-CE1 3.98Å; E185-Y195 HydrophobicContact CG-CD1 4.18Å; E185-Y195 HydrophobicContact CG-CE1 3.73Å; T193-Y195 HydrophobicContact CG2-CE1 4.43Å; T193-Y195 HydrophobicContact CG2-CE2 4.22Å; Y195-T203 CarbonylContact O-C 3.58Å; Y195-T203 VanDerWaalsContact O-CA 3.26Å; Y195-T203 WeakPolarHBondContact O-CA 3.41Å; Y195-Q204 PolarHBondContact N-O 3.34Å; Y195-Q204 PolarHBondContact O-N 2.82Å; Y195-W205 WeakPolarHBondContact CD2-O 3.17Å; Y195-W205 VanDerWaalsContact CE2-O 3.3Å; Y195-W205 WeakPolarHBondContact CE2-O 3.38Å; Y195-E206 VanDerWaalsContact CD2-C 3.4Å; Y195-E206 WeakPolarHBondContact CD2-O 3.19Å; Y195-R207 HydrophobicContact CD1-CG 4.3Å; Y195-R207 HydrophobicContact CD2-CB 4.4Å; Y195-R207 HydrophobicContact CE1-CB 3.97Å; Y195-R207 HydrophobicContact CE1-CG 3.57Å; Y195-R207 HydrophobicContact CE2-CB 3.69Å; Y195-R207 HydrophobicContact CE2-CG 4.26Å; Y195-R207 VanDerWaalsContact CE2-N 3.28Å; Y195-R207 VanDerWaalsContact CZ-CB 3.42Å; Y195-R207 WeakPolarHBondContact OH-CB 3.4Å; Y195-P208 HydrophobicContact CG-CG 4.43Å
196	V	59.9	Low	54.3	Low	17 Å²	17	75.2 Å²	75.2	10%	0.103	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	-177.7	-176	0	0	0	0	109.1	W183 E184 R186 F194 T202 T203	W183-V196 CarbonylContact C-O 3.59Å; W183-V196 VanDerWaalsContact CA-O 3.25Å; W183-V196 WeakPolarHBondContact CA-O 3.3Å; E184-V196 HydrophobicContact CB-CB 4.46Å; E184-V196 PolarHBondContact N-O 2.82Å; E184-V196 PolarHBondContact O-N 3.33Å; R186-V196 HydrophobicContact CB-CG2 4.39Å; R186-V196 HydrophobicContact CG-CG2 4.2Å; F194-V196 HydrophobicContact CD2-CG2 3.89Å; F194-V196 HydrophobicContact CE2-CG2 3.5Å; F194-V196 HydrophobicContact CZ-CG2 4.48Å; V196-T202 CarbonylContact C-O 3.6Å; V196-T202 WeakPolarHBondContact CA-O 3.45Å; V196-T203 HydrophobicContact CB-CG2 4.35Å; V196-T203 HydrophobicContact CG1-CG2 4.19Å; V196-T203 HydrophobicContact CG2-CG2 3.88Å
197	N	64.3	Low	54.1	Low	9 Å²	9	74.8 Å²	74.8	5%	0.048	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.3	171.7	-173.8	-22.6	0	0	0	109.7	G182 W183 T199 H200 R201 T202	G182-N197 CarbonylContact O-C 3.6Å; G182-N197 WeakPolarHBondContact O-CA 3.24Å; W183-N197 HydrophobicContact CD2-CB 3.82Å; W183-N197 HydrophobicContact CE3-CB 3.74Å; W183-N197 HydrophobicContact CH2-CB 3.65Å; W183-N197 HydrophobicContact CZ2-CB 3.73Å; W183-N197 VanDerWaalsContact CZ2-ND2 3.26Å; W183-N197 WeakPolarHBondContact CZ2-ND2 3.31Å; W183-N197 HydrophobicContact CZ3-CB 3.65Å; N197-T199 VanDerWaalsContact C-N 3.27Å; N197-T199 PolarHBondContact O-N 3.5Å; N197-T199 WeakPolarHBondContact OD1-CA 3.38Å; N197-T199 WeakPolarHBondContact OD1-CB 3.4Å; N197-T199 PolarHBondContact OD1-N 2.99Å; N197-T199 PolarHBondContact OD1-OG1 3.03Å; N197-H200 PolarHBondContact O-N 2.85Å; N197-H200 PolarHBondContact OD1-N 2.82Å; N197-R201 CarbonylContact O-C 3.51Å; N197-R201 WeakPolarHBondContact O-CA 3.33Å; N197-R201 PolarHBondContact O-N 3.29Å; N197-T202 PolarHBondContact N-O 3.32Å; N197-T202 PolarHBondContact O-N 3.1Å
198	H	54.4	Low	54.2	Low	102 Å²	102	71.4 Å²	71.4	47%	0.472	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.5	174.4	-68.3	-74.5	0	0	0	113.9	G182 E184	G182-H198 WeakPolarHBondContact O-CB 3.33Å; G182-H198 PolarHBondContact O-CD2 2.88Å; G182-H198 PolarHBondContact O-N 3.43Å; E184-H198 VanDerWaalsContact CB-NE2 3.32Å; E184-H198 WeakPolarHBondContact CB-NE2 3.44Å; E184-H198 IonicContact OE2-CD2 3.29Å; E184-H198 IonicContact OE2-CE1 2.66Å; E184-H198 PolarHBondContact OE2-CE1 3.08Å; E184-H198 IonicContact OE2-NE2 3.93Å; E184-H198 PolarHBondContact OE2-NE2 2.86Å
199	T	53.2	Low	54.6	Low	98 Å²	98	73.1 Å²	73.1	60%	0.601	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-41.6	178.1	-44.6	0	0	0	0	110.8	N197	N197-T199 VanDerWaalsContact C-N 3.27Å; N197-T199 PolarHBondContact O-N 3.5Å; N197-T199 WeakPolarHBondContact OD1-CA 3.38Å; N197-T199 WeakPolarHBondContact OD1-CB 3.4Å; N197-T199 PolarHBondContact OD1-N 2.99Å; N197-T199 PolarHBondContact OD1-OG1 3.03Å
200	H	49.2	Very low	55.3	Low	136 Å²	136	74.1 Å²	74.1	63%	0.63	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-5.1	-178.4	-62.7	-179.4	0	0	0	113.6	N197 T202	N197-H200 PolarHBondContact O-N 2.85Å; N197-H200 PolarHBondContact OD1-N 2.82Å; H200-T202 VanDerWaalsContact C-N 3.32Å; H200-T202 HydrophobicContact CB-CG2 4.18Å; H200-T202 PolarHBondContact O-N 3.32Å
201	R	54.4	Low	55.4	Low	122 Å²	122	73.4 Å²	73.4	46%	0.46	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	44.5	-172.6	-59.2	-175.8	171.6	-135.5	-6.7	112.9	N197 D568 R570	N197-R201 CarbonylContact O-C 3.51Å; N197-R201 WeakPolarHBondContact O-CA 3.33Å; N197-R201 PolarHBondContact O-N 3.29Å; R201-D568 IonicContact CZ-OD2 2.86Å; R201-D568 VanDerWaalsContact CZ-OD2 3.29Å; R201-D568 IonicContact NH1-OD2 2.77Å; R201-D568 PolarHBondContact NH1-OD2 3.47Å; R201-D568 IonicContact NH2-OD2 2.82Å; R201-D568 PolarHBondContact NH2-OD2 3.43Å; R201-R570 VanDerWaalsContact NH2-NH2 3.2Å
202	T	48.9	Very low	55.3	Low	50 Å²	50	76 Å²	76	31%	0.307	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.1	178.7	60.7	0	0	0	0	111.9	V196 N197 H200	V196-T202 CarbonylContact C-O 3.6Å; V196-T202 WeakPolarHBondContact CA-O 3.45Å; N197-T202 PolarHBondContact N-O 3.32Å; N197-T202 PolarHBondContact O-N 3.1Å; H200-T202 VanDerWaalsContact C-N 3.32Å; H200-T202 HydrophobicContact CB-CG2 4.18Å; H200-T202 PolarHBondContact O-N 3.32Å
203	T	56.1	Low	54.8	Low	47 Å²	47	77 Å²	77	29%	0.288	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.2	174.8	63.8	0	0	0	0	111.6	F194 Y195 V196	F194-T203 HydrophobicContact CD2-CG2 4.31Å; F194-T203 HydrophobicContact CE2-CG2 4.17Å; Y195-T203 CarbonylContact O-C 3.58Å; Y195-T203 VanDerWaalsContact O-CA 3.26Å; Y195-T203 WeakPolarHBondContact O-CA 3.41Å; V196-T203 HydrophobicContact CB-CG2 4.35Å; V196-T203 HydrophobicContact CG1-CG2 4.19Å; V196-T203 HydrophobicContact CG2-CG2 3.88Å
204	Q	56.3	Low	54.1	Low	71 Å²	71	79.3 Å²	79.3	33%	0.332	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.5	176.8	68.1	-176.4	50.2	0	0	112	W183 F194 Y195 E206	W183-Q204 VanDerWaalsContact CH2-CD 3.46Å; W183-Q204 HydrophobicContact CH2-CG 4.05Å; W183-Q204 HydrophobicContact CZ3-CG 3.77Å; F194-Q204 CarbonylContact C-O 3.47Å; F194-Q204 WeakPolarHBondContact CA-O 3.45Å; Y195-Q204 PolarHBondContact N-O 3.34Å; Y195-Q204 PolarHBondContact O-N 2.82Å; Q204-E206 WeakPolarHBondContact CG-O 3.45Å; Q204-E206 PolarHBondContact NE2-O 2.73Å
205	W	64.1	Low	52.9	Low	76 Å²	76	83.6 Å²	83.6	29%	0.288	44%	0.444	S	S	.	.	S	Bend	trans	-86	-34.8	-178.8	-60.3	104.3	0	0	0	113.4	D188 R192 F194 Y195	D188-W205 HydrophobicContact CB-CH2 4.38Å; D188-W205 VanDerWaalsContact OD2-CH2 3.29Å; D188-W205 WeakPolarHBondContact OD2-CH2 3.39Å; R192-W205 HydrophobicContact CB-CE3 4.3Å; R192-W205 HydrophobicContact CB-CZ3 3.66Å; F194-W205 HydrophobicContact CB-CD2 4.33Å; F194-W205 HydrophobicContact CB-CE3 3.68Å; F194-W205 HydrophobicContact CB-CZ3 3.78Å; F194-W205 HydrophobicContact CD1-CZ3 4.44Å; F194-W205 HydrophobicContact CG-CZ3 4.46Å; Y195-W205 WeakPolarHBondContact CD2-O 3.17Å; Y195-W205 VanDerWaalsContact CE2-O 3.3Å; Y195-W205 WeakPolarHBondContact CE2-O 3.38Å
206	E	61	Low	51.6	Low	145 Å²	145	86.4 Å²	86.4	68%	0.678	46%	0.464	S	S	*	.	S	Bend	trans	-77.3	141.9	177.8	-90.2	69.8	-156.7	0	0	114	Y195 Q204 P208	Y195-E206 VanDerWaalsContact CD2-C 3.4Å; Y195-E206 WeakPolarHBondContact CD2-O 3.19Å; Q204-E206 WeakPolarHBondContact CG-O 3.45Å; Q204-E206 PolarHBondContact NE2-O 2.73Å; E206-P208 WeakPolarHBondContact O-CD 3.13Å
207	R	68	Low	50.9	Low	98 Å²	98	90.4 Å²	90.4	37%	0.37	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-67.1	124	177.3	-167.5	168.4	-169.9	-164	2.7	111.8	I176 L179 Y195 T209	I176-R207 VanDerWaalsContact CG2-NH1 3.33Å; L179-R207 HydrophobicContact CD2-CG 4Å; Y195-R207 HydrophobicContact CD1-CG 4.3Å; Y195-R207 HydrophobicContact CD2-CB 4.4Å; Y195-R207 HydrophobicContact CE1-CB 3.97Å; Y195-R207 HydrophobicContact CE1-CG 3.57Å; Y195-R207 HydrophobicContact CE2-CB 3.69Å; Y195-R207 HydrophobicContact CE2-CG 4.26Å; Y195-R207 VanDerWaalsContact CE2-N 3.28Å; Y195-R207 VanDerWaalsContact CZ-CB 3.42Å; Y195-R207 WeakPolarHBondContact OH-CB 3.4Å; R207-T209 PolarHBondContact O-N 3.43Å
208	P	58.5	Low	50.4	Low	17 Å²	17	92 Å²	92	11%	0.11	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-63.3	125.5	172.2	-11.8	21.9	0	0	0	110.4	L179 P180 W183 Y195 E206	L179-P208 HydrophobicContact CD2-CG 4.23Å; P180-P208 HydrophobicContact CG-CB 4.03Å; W183-P208 HydrophobicContact CB-CG 4.32Å; W183-P208 HydrophobicContact CD2-CB 3.96Å; W183-P208 HydrophobicContact CD2-CG 3.27Å; W183-P208 HydrophobicContact CE3-CB 4.39Å; W183-P208 HydrophobicContact CE3-CG 3.29Å; W183-P208 HydrophobicContact CG-CB 4.24Å; W183-P208 HydrophobicContact CG-CG 3.78Å; W183-P208 HydrophobicContact CH2-CG 4.05Å; W183-P208 HydrophobicContact CZ2-CB 4.3Å; W183-P208 HydrophobicContact CZ2-CG 4.04Å; W183-P208 HydrophobicContact CZ3-CG 3.69Å; Y195-P208 HydrophobicContact CG-CG 4.43Å; E206-P208 WeakPolarHBondContact O-CD 3.13Å
209	T	54.3	Low	50.5	Low	69 Å²	69	90.1 Å²	90.1	42%	0.423	50%	0.496	S	S	.	.			trans	-114.2	143.7	173.4	53.4	0	0	0	0	109.3	R207 S211 N212	R207-T209 PolarHBondContact O-N 3.43Å; T209-S211 PolarHBondContact O-N 3.46Å; T209-N212 PolarHBondContact O-N 2.81Å
210	S	51.5	Low	50.9	Low	91 Å²	91	91.8 Å²	91.8	64%	0.636	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.3	-175.4	-55.2	0	0	0	0	114.5
211	S	41.8	Very low	51.8	Low	99 Å²	99	90 Å²	90	69%	0.692	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.5	-172.8	56.9	0	0	0	0	115.5	T209	T209-S211 PolarHBondContact O-N 3.46Å
212	N	33.5	Very low	52.3	Low	112 Å²	112	86.8 Å²	86.8	60%	0.599	48%	0.48	S	S	*	.			trans	-106.4	96.1	178.7	-87.1	3.5	0	0	0	111.2	T209	T209-N212 PolarHBondContact O-N 2.81Å
213	N	34	Very low	53.2	Low	144 Å²	144	88 Å²	88	77%	0.77	48%	0.48	S	S	*	.			trans	-39.3	139	135.5	-101.5	-21.1	0	0	0	108.5	V215	N213-V215 VanDerWaalsContact C-N 3.33Å; N213-V215 PolarHBondContact O-N 3.28Å
214	P	38.6	Very low	53.9	Low	100 Å²	100	90 Å²	90	65%	0.649	49%	0.486	S	S	*	.			trans	-58.7	96.1	-177.5	22.8	-30.6	0	0	0	109.8	T216	P214-T216 HydrophobicContact CB-CG2 3.66Å; P214-T216 PolarHBondContact O-N 3.19Å; P214-T216 VanDerWaalsContact O-N 3.12Å
215	V	36.3	Very low	54.7	Low	128 Å²	128	92.6 Å²	92.6	78%	0.776	50%	0.496	S	S	*	.			trans	-79.3	63.2	143.8	-168.8	0	0	0	0	104	N213 N217	N213-V215 VanDerWaalsContact C-N 3.33Å; N213-V215 PolarHBondContact O-N 3.28Å; V215-N217 PolarHBondContact O-N 2.87Å
216	T	46.2	Very low	54.9	Low	83 Å²	83	92.4 Å²	92.4	51%	0.509	50%	0.498	S	S	.	.			trans	-52.5	129.8	160	39.8	0	0	0	0	104.2	P214 A218	P214-T216 HydrophobicContact CB-CG2 3.66Å; P214-T216 PolarHBondContact O-N 3.19Å; P214-T216 VanDerWaalsContact O-N 3.12Å; T216-A218 PolarHBondContact O-N 3.36Å
217	N	44.1	Very low	55.4	Low	102 Å²	102	89 Å²	89	55%	0.545	48%	0.479	S	S	.	.			trans	-46	110.6	145.8	-68.9	-33.8	0	0	0	102.7	V215 P219	V215-N217 PolarHBondContact O-N 2.87Å; N217-P219 VanDerWaalsContact O-N 3.12Å
218	A	53.5	Low	55.7	Low	41 Å²	41	88.4 Å²	88.4	34%	0.339	48%	0.483	S	S	.	.			trans	-47.4	132.7	-167.8	0	0	0	0	0	105.6	T216 E220 E221	T216-A218 PolarHBondContact O-N 3.36Å; A218-E220 HydrophobicContact CB-CB 4.03Å; A218-E220 CarbonylContact O-C 3.59Å; A218-E220 PolarHBondContact O-N 3.06Å; A218-E221 HydrophobicContact CB-CG 4.49Å; A218-E221 WeakPolarHBondContact O-CB 3.41Å; A218-E221 PolarHBondContact O-N 2.71Å
219	P	55.9	Low	56.4	Low	64 Å²	64	89.6 Å²	89.6	42%	0.416	49%	0.492	S	S	.	.	H	α-helix	trans	-41	-41	178.7	-30.4	33.6	0	0	0	109.6	N217 E221 L222 W223	N217-P219 VanDerWaalsContact O-N 3.12Å; P219-E221 PolarHBondContact O-N 3.45Å; P219-L222 WeakPolarHBondContact O-CB 3.03Å; P219-L222 PolarHBondContact O-N 3.12Å; P219-W223 PolarHBondContact O-N 3.08Å
220	E	63.1	Low	57.1	Low	133 Å²	133	88 Å²	88	62%	0.621	48%	0.479	S	S	*	.	H	α-helix	trans	-41.7	-45.3	169.9	-150.8	64.5	-154.4	0	0	116.2	A218 W223 Q224	A218-E220 HydrophobicContact CB-CB 4.03Å; A218-E220 CarbonylContact O-C 3.59Å; A218-E220 PolarHBondContact O-N 3.06Å; E220-W223 PolarHBondContact O-N 3.05Å; E220-Q224 VanDerWaalsContact O-CB 3.31Å; E220-Q224 WeakPolarHBondContact O-CB 3.41Å; E220-Q224 PolarHBondContact O-N 2.7Å
221	E	68	Low	58	Low	97 Å²	97	87.4 Å²	87.4	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-37.9	177.5	-69.9	-173.7	-178.6	0	0	112.6	A218 P219 Q224 K225	A218-E221 HydrophobicContact CB-CG 4.49Å; A218-E221 WeakPolarHBondContact O-CB 3.41Å; A218-E221 PolarHBondContact O-N 2.71Å; P219-E221 PolarHBondContact O-N 3.45Å; E221-Q224 PolarHBondContact O-N 3.08Å; E221-K225 WeakPolarHBondContact O-CB 2.75Å; E221-K225 VanDerWaalsContact O-CG 3.32Å; E221-K225 WeakPolarHBondContact O-CG 3.4Å; E221-K225 PolarHBondContact O-N 3Å
222	L	65.4	Low	59.5	Low	55 Å²	55	88.5 Å²	88.5	29%	0.288	46%	0.461	S	S	.	.	H	α-helix	trans	-68.1	-42.1	174.3	-68.1	173.6	0	0	0	110.3	P219 Q224 K225 Q226 V580	P219-L222 WeakPolarHBondContact O-CB 3.03Å; P219-L222 PolarHBondContact O-N 3.12Å; L222-Q224 VanDerWaalsContact C-N 3.34Å; L222-Q224 PolarHBondContact O-N 3.2Å; L222-K225 PolarHBondContact O-N 2.83Å; L222-Q226 WeakPolarHBondContact O-CG 3.29Å; L222-Q226 PolarHBondContact O-N 3.4Å; L222-Q226 VanDerWaalsContact O-N 3.08Å; L222-V580 HydrophobicContact CD1-CG2 4.07Å
223	W	66.1	Low	61.3	Low	77 Å²	77	87 Å²	87	29%	0.292	45%	0.447	S	S	.	.	H	α-helix	trans	-57.7	-46.4	172.2	-68.4	105.4	0	0	0	111.1	P219 E220 Q226 R227 L497 T577 F578	P219-W223 PolarHBondContact O-N 3.08Å; E220-W223 PolarHBondContact O-N 3.05Å; W223-Q226 PolarHBondContact O-N 3.26Å; W223-R227 WeakPolarHBondContact O-CB 3.44Å; W223-R227 PolarHBondContact O-N 3.28Å; W223-L497 HydrophobicContact CE3-CD1 3.55Å; W223-L497 HydrophobicContact CE3-CD2 3.57Å; W223-L497 HydrophobicContact CE3-CG 4.12Å; W223-L497 HydrophobicContact CH2-CD1 4.25Å; W223-L497 HydrophobicContact CZ3-CD1 3.18Å; W223-L497 HydrophobicContact CZ3-CD2 3.46Å; W223-L497 VanDerWaalsContact CZ3-CD2 3.46Å; W223-L497 HydrophobicContact CZ3-CG 3.88Å; W223-T577 HydrophobicContact CH2-CG2 3.8Å; W223-T577 HydrophobicContact CZ2-CG2 4.1Å; W223-T577 HydrophobicContact CZ3-CG2 4.5Å; W223-F578 AromaticContact CD2-CD2 3.69Å; W223-F578 HydrophobicContact CD2-CD2 3.69Å; W223-F578 AromaticContact CD2-CE2 3.76Å; W223-F578 HydrophobicContact CD2-CE2 3.76Å; W223-F578 AromaticContact CE2-CD2 3.93Å; W223-F578 AromaticContact CE3-CD2 3.77Å; W223-F578 HydrophobicContact CE3-CD2 3.77Å; W223-F578 AromaticContact CE3-CE2 3.32Å; W223-F578 HydrophobicContact CE3-CE2 3.32Å; W223-F578 HydrophobicContact CE3-CZ 4.33Å; W223-F578 HydrophobicContact CG-CD2 4.34Å; W223-F578 HydrophobicContact CH2-CD2 4.19Å; W223-F578 AromaticContact CH2-CE2 3.86Å; W223-F578 HydrophobicContact CH2-CE2 3.86Å; W223-F578 HydrophobicContact CZ2-CD2 4.12Å; W223-F578 HydrophobicContact CZ2-CE2 4.25Å; W223-F578 HydrophobicContact CZ3-CD2 4.09Å; W223-F578 AromaticContact CZ3-CE2 3.45Å; W223-F578 HydrophobicContact CZ3-CE2 3.45Å; W223-F578 VanDerWaalsContact CZ3-CE2 3.45Å; W223-F578 HydrophobicContact CZ3-CZ 4.49Å
224	Q	72.3	Confident	63	Low	89 Å²	89	80.8 Å²	80.8	42%	0.416	41%	0.412	S	S	.	.	H	α-helix	trans	-67.2	-41.1	-179.8	-167.4	64.8	44.2	0	0	112.4	E220 E221 L222 Q226 R227 N228	E220-Q224 VanDerWaalsContact O-CB 3.31Å; E220-Q224 WeakPolarHBondContact O-CB 3.41Å; E220-Q224 PolarHBondContact O-N 2.7Å; E221-Q224 PolarHBondContact O-N 3.08Å; L222-Q224 VanDerWaalsContact C-N 3.34Å; L222-Q224 PolarHBondContact O-N 3.2Å; Q224-Q226 VanDerWaalsContact C-N 3.3Å; Q224-Q226 PolarHBondContact O-N 3.18Å; Q224-R227 PolarHBondContact O-N 3.19Å; Q224-N228 PolarHBondContact NE2-OD1 3.37Å; Q224-N228 VanDerWaalsContact NE2-OD1 3.09Å; Q224-N228 WeakPolarHBondContact O-CB 3.35Å; Q224-N228 PolarHBondContact O-N 3.26Å; Q224-N228 PolarHBondContact O-ND2 3.19Å; Q224-N228 PolarHBondContact O-OD1 3.05Å
225	K	72.2	Confident	64.6	Low	125 Å²	125	79.1 Å²	79.1	54%	0.543	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-42	175.8	-80.6	174.6	-178.3	170.6	0	111.7	E221 L222 N228 S229	E221-K225 WeakPolarHBondContact O-CB 2.75Å; E221-K225 VanDerWaalsContact O-CG 3.32Å; E221-K225 WeakPolarHBondContact O-CG 3.4Å; E221-K225 PolarHBondContact O-N 3Å; L222-K225 PolarHBondContact O-N 2.83Å; K225-N228 PolarHBondContact O-N 3.03Å; K225-S229 WeakPolarHBondContact O-CB 3.48Å; K225-S229 PolarHBondContact O-N 3.44Å
226	Q	68.4	Low	66.2	Low	71 Å²	71	76.9 Å²	76.9	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-71	-43.2	179.2	-71.2	-78.9	18.1	0	0	111.4	L222 W223 Q224 N228 S229 F230 F578	L222-Q226 WeakPolarHBondContact O-CG 3.29Å; L222-Q226 PolarHBondContact O-N 3.4Å; L222-Q226 VanDerWaalsContact O-N 3.08Å; W223-Q226 PolarHBondContact O-N 3.26Å; Q224-Q226 VanDerWaalsContact C-N 3.3Å; Q224-Q226 PolarHBondContact O-N 3.18Å; Q226-N228 VanDerWaalsContact C-N 3.3Å; Q226-N228 PolarHBondContact O-N 2.85Å; Q226-S229 WeakPolarHBondContact O-CB 3.16Å; Q226-S229 PolarHBondContact O-N 3.27Å; Q226-S229 VanDerWaalsContact O-N 3.08Å; Q226-F230 VanDerWaalsContact O-CD2 3.27Å; Q226-F230 WeakPolarHBondContact O-CD2 3.19Å; Q226-F230 PolarHBondContact O-N 2.95Å; Q226-F578 HydrophobicContact CB-CD1 3.62Å; Q226-F578 HydrophobicContact CB-CE1 3.65Å; Q226-F578 HydrophobicContact CB-CG 4.36Å; Q226-F578 HydrophobicContact CB-CZ 4.48Å; Q226-F578 HydrophobicContact CG-CB 4.31Å; Q226-F578 HydrophobicContact CG-CD1 3.36Å; Q226-F578 HydrophobicContact CG-CE1 3.92Å; Q226-F578 HydrophobicContact CG-CG 4.03Å
227	R	71.1	Confident	67.1	Low	73 Å²	73	73.9 Å²	73.9	28%	0.275	36%	0.362	S	S	.	.	H	α-helix	trans	-52.9	-47.5	170.4	-174.7	170.7	-153.4	132.1	5.1	111.9	W223 Q224 S229 F230 Q231 L497 D500	W223-R227 WeakPolarHBondContact O-CB 3.44Å; W223-R227 PolarHBondContact O-N 3.28Å; Q224-R227 PolarHBondContact O-N 3.19Å; R227-S229 PolarHBondContact O-N 3.3Å; R227-F230 PolarHBondContact O-N 2.9Å; R227-Q231 WeakPolarHBondContact O-CB 3.4Å; R227-Q231 PolarHBondContact O-N 3.05Å; R227-L497 WeakPolarHBondContact CG-O 3.47Å; R227-L497 PolarHBondContact NE-O 3.46Å; R227-D500 IonicContact CZ-OD1 3.42Å; R227-D500 IonicContact NH2-OD1 2.98Å; R227-D500 PolarHBondContact NH2-OD1 3.22Å; R227-D500 IonicContact NH2-OD2 3.74Å; R227-D500 PolarHBondContact NH2-OD2 3.26Å
228	N	75.1	Confident	68	Low	87 Å²	87	74.3 Å²	74.3	47%	0.465	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-38.6	177.2	-66.3	-10	0	0	0	112.3	Q224 K225 Q226 Q231 Q232	Q224-N228 PolarHBondContact NE2-OD1 3.37Å; Q224-N228 VanDerWaalsContact NE2-OD1 3.09Å; Q224-N228 WeakPolarHBondContact O-CB 3.35Å; Q224-N228 PolarHBondContact O-N 3.26Å; Q224-N228 PolarHBondContact O-ND2 3.19Å; Q224-N228 PolarHBondContact O-OD1 3.05Å; K225-N228 PolarHBondContact O-N 3.03Å; Q226-N228 VanDerWaalsContact C-N 3.3Å; Q226-N228 PolarHBondContact O-N 2.85Å; N228-Q231 PolarHBondContact O-N 3.13Å; N228-Q232 VanDerWaalsContact O-CB 3.23Å; N228-Q232 WeakPolarHBondContact O-CB 3.31Å; N228-Q232 PolarHBondContact O-N 3.3Å
229	S	73.1	Confident	68.2	Low	42 Å²	42	74.3 Å²	74.3	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-40.5	176.3	174.4	0	0	0	0	112.6	K225 Q226 R227 R233	K225-S229 WeakPolarHBondContact O-CB 3.48Å; K225-S229 PolarHBondContact O-N 3.44Å; Q226-S229 WeakPolarHBondContact O-CB 3.16Å; Q226-S229 PolarHBondContact O-N 3.27Å; Q226-S229 VanDerWaalsContact O-N 3.08Å; R227-S229 PolarHBondContact O-N 3.3Å; S229-R233 WeakPolarHBondContact O-CG 3.46Å; S229-R233 PolarHBondContact O-N 2.87Å; S229-R233 VanDerWaalsContact O-N 3.13Å; S229-R233 PolarHBondContact O-NE 3.06Å
230	F	69.1	Low	68.1	Low	34 Å²	34	78.8 Å²	78.8	15%	0.149	37%	0.372	C	S	.	.	H	α-helix	trans	-68.6	-46.2	173.5	-81	-76.4	0	0	0	111.8	Q226 R227 Q232 R233 W234 C498	Q226-F230 VanDerWaalsContact O-CD2 3.27Å; Q226-F230 WeakPolarHBondContact O-CD2 3.19Å; Q226-F230 PolarHBondContact O-N 2.95Å; R227-F230 PolarHBondContact O-N 2.9Å; F230-Q232 VanDerWaalsContact C-N 3.29Å; F230-Q232 PolarHBondContact O-N 2.86Å; F230-R233 VanDerWaalsContact CZ-NH2 3.28Å; F230-R233 PolarHBondContact O-N 2.81Å; F230-R233 VanDerWaalsContact O-N 3.1Å; F230-W234 PolarHBondContact O-N 2.83Å; F230-C498 HydrophobicContact CB-CB 4.09Å; F230-C498 HydrophobicContact CG-CB 4.28Å; F230-C498 WeakPolarHBondContact CG-SG 3.49Å
231	Q	70.8	Confident	67.5	Low	80 Å²	80	75.4 Å²	75.4	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-58.3	-42.5	176.6	-174	59.9	56.4	0	0	111.4	R227 N228 R233 W234 D235	R227-Q231 WeakPolarHBondContact O-CB 3.4Å; R227-Q231 PolarHBondContact O-N 3.05Å; N228-Q231 PolarHBondContact O-N 3.13Å; Q231-R233 PolarHBondContact O-N 2.84Å; Q231-W234 WeakPolarHBondContact O-CB 3.13Å; Q231-W234 PolarHBondContact O-N 3.32Å; Q231-D235 PolarHBondContact NE2-OD1 3.38Å; Q231-D235 VanDerWaalsContact NE2-OD1 3.16Å; Q231-D235 PolarHBondContact NE2-OD2 3.47Å; Q231-D235 VanDerWaalsContact NE2-OD2 3.13Å; Q231-D235 WeakPolarHBondContact O-CB 3.27Å; Q231-D235 PolarHBondContact O-N 2.89Å
232	Q	73.8	Confident	66.4	Low	121 Å²	121	72 Å²	72	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-62.9	-40.2	175.9	-174.2	176.9	19.8	0	0	112.2	N228 F230 D235 N236	N228-Q232 VanDerWaalsContact O-CB 3.23Å; N228-Q232 WeakPolarHBondContact O-CB 3.31Å; N228-Q232 PolarHBondContact O-N 3.3Å; F230-Q232 VanDerWaalsContact C-N 3.29Å; F230-Q232 PolarHBondContact O-N 2.86Å; Q232-D235 PolarHBondContact O-N 3.29Å; Q232-N236 VanDerWaalsContact O-CB 3.23Å; Q232-N236 WeakPolarHBondContact O-CB 3.3Å; Q232-N236 PolarHBondContact O-N 3.2Å; Q232-N236 PolarHBondContact O-OD1 2.96Å
233	R	70.7	Confident	65.2	Low	81 Å²	81	77 Å²	77	31%	0.306	37%	0.371	S	S	.	.	H	α-helix	trans	-65.3	-40.5	175.1	-77.6	-179.6	-78.8	170.3	-1.5	112.1	S229 F230 Q231 N236 N237 Y475	S229-R233 WeakPolarHBondContact O-CG 3.46Å; S229-R233 PolarHBondContact O-N 2.87Å; S229-R233 VanDerWaalsContact O-N 3.13Å; S229-R233 PolarHBondContact O-NE 3.06Å; F230-R233 VanDerWaalsContact CZ-NH2 3.28Å; F230-R233 PolarHBondContact O-N 2.81Å; F230-R233 VanDerWaalsContact O-N 3.1Å; Q231-R233 PolarHBondContact O-N 2.84Å; R233-N236 PolarHBondContact O-N 3.14Å; R233-N237 PolarHBondContact O-N 2.81Å; R233-Y475 HydrophobicContact CB-CD1 4.47Å
234	W	69.9	Low	63.5	Low	13 Å²	13	82.5 Å²	82.5	5%	0.049	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-51.3	173.4	-169.9	-60.7	0	0	0	111	F230 Q231 N236 N237 R238 F422 Y476 Y505	F230-W234 PolarHBondContact O-N 2.83Å; Q231-W234 WeakPolarHBondContact O-CB 3.13Å; Q231-W234 PolarHBondContact O-N 3.32Å; W234-N236 PolarHBondContact O-N 2.63Å; W234-N237 PolarHBondContact O-N 2.96Å; W234-R238 PolarHBondContact O-N 2.85Å; W234-F422 HydrophobicContact CH2-CE1 4.16Å; W234-F422 HydrophobicContact CZ2-CE1 4.19Å; W234-Y476 AromaticContact CD2-CD1 3.59Å; W234-Y476 HydrophobicContact CD2-CD1 3.59Å; W234-Y476 HydrophobicContact CD2-CE1 4.19Å; W234-Y476 AromaticContact CE2-CD1 3.61Å; W234-Y476 AromaticContact CE2-CE1 3.9Å; W234-Y476 AromaticContact CE3-CD1 3.62Å; W234-Y476 HydrophobicContact CE3-CD1 3.62Å; W234-Y476 HydrophobicContact CE3-CG 4.32Å; W234-Y476 HydrophobicContact CG-CD1 4.26Å; W234-Y476 AromaticContact CH2-CD1 3.71Å; W234-Y476 HydrophobicContact CH2-CD1 3.71Å; W234-Y476 HydrophobicContact CH2-CG 4.42Å; W234-Y476 AromaticContact CZ2-CD1 3.68Å; W234-Y476 HydrophobicContact CZ2-CD1 3.68Å; W234-Y476 HydrophobicContact CZ2-CE1 4.07Å; W234-Y476 AromaticContact CZ3-CD1 3.68Å; W234-Y476 HydrophobicContact CZ3-CD1 3.68Å; W234-Y476 HydrophobicContact CZ3-CG 4.2Å; W234-Y476 WeakPolarHBondContact CZ3-O 3.32Å; W234-Y505 HydrophobicContact CH2-CD1 4.49Å; W234-Y505 HydrophobicContact CH2-CE1 4.09Å; W234-Y505 HydrophobicContact CH2-CE2 4.23Å; W234-Y505 AromaticContact CH2-CZ 3.92Å; W234-Y505 HydrophobicContact CZ2-CE1 4.25Å
235	D	72.1	Confident	61.4	Low	66 Å²	66	82.7 Å²	82.7	35%	0.353	41%	0.413	S	S	.	.	H	α-helix	trans	-68.5	-34.3	-178.4	-67.8	-30.7	0	0	0	112.5	Q231 Q232 R238 A239	Q231-D235 PolarHBondContact NE2-OD1 3.38Å; Q231-D235 VanDerWaalsContact NE2-OD1 3.16Å; Q231-D235 PolarHBondContact NE2-OD2 3.47Å; Q231-D235 VanDerWaalsContact NE2-OD2 3.13Å; Q231-D235 WeakPolarHBondContact O-CB 3.27Å; Q231-D235 PolarHBondContact O-N 2.89Å; Q232-D235 PolarHBondContact O-N 3.29Å; D235-R238 CarbonylContact O-C 3.56Å; D235-R238 VanDerWaalsContact O-CB 3.3Å; D235-R238 WeakPolarHBondContact O-CB 3.39Å; D235-R238 PolarHBondContact O-N 3.41Å; D235-A239 WeakPolarHBondContact O-CB 3.31Å; D235-A239 PolarHBondContact O-N 3.16Å
236	N	69.6	Low	59.3	Low	80 Å²	80	84.5 Å²	84.5	43%	0.428	43%	0.428	S	S	.	.	H	α-helix	trans	-65.6	-44.4	174.7	-75.8	-5.6	0	0	0	111.6	Q232 R233 W234 R238 A239 E240	Q232-N236 VanDerWaalsContact O-CB 3.23Å; Q232-N236 WeakPolarHBondContact O-CB 3.3Å; Q232-N236 PolarHBondContact O-N 3.2Å; Q232-N236 PolarHBondContact O-OD1 2.96Å; R233-N236 PolarHBondContact O-N 3.14Å; W234-N236 PolarHBondContact O-N 2.63Å; N236-R238 PolarHBondContact O-N 2.97Å; N236-A239 PolarHBondContact O-N 2.84Å; N236-E240 PolarHBondContact O-N 2.83Å
237	N	64.2	Low	57.3	Low	20 Å²	20	86.8 Å²	86.8	11%	0.107	45%	0.449	C	S	.	.	H	α-helix	trans	-60.2	-40.2	174.4	-170.4	-11.7	0	0	0	110.1	R233 W234 A239 N241 E470	R233-N237 PolarHBondContact O-N 2.81Å; W234-N237 PolarHBondContact O-N 2.96Å; N237-A239 VanDerWaalsContact C-N 3.32Å; N237-A239 PolarHBondContact O-N 2.8Å; N237-N241 WeakPolarHBondContact O-CB 3.38Å; N237-N241 PolarHBondContact O-N 2.88Å; N237-N241 PolarHBondContact O-ND2 2.93Å; N237-N241 PolarHBondContact OD1-ND2 2.95Å; N237-E470 PolarHBondContact ND2-OE2 3.35Å
238	R	63.4	Low	55.2	Low	112 Å²	112	88.8 Å²	88.8	42%	0.423	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-36.9	173.2	-153.9	-178.3	-156.8	157.1	6.6	113.6	W234 D235 N236 G242 E423	W234-R238 PolarHBondContact O-N 2.85Å; D235-R238 CarbonylContact O-C 3.56Å; D235-R238 VanDerWaalsContact O-CB 3.3Å; D235-R238 WeakPolarHBondContact O-CB 3.39Å; D235-R238 PolarHBondContact O-N 3.41Å; N236-R238 PolarHBondContact O-N 2.97Å; R238-G242 PolarHBondContact O-N 3.18Å; R238-E423 IonicContact NE-OE1 2.77Å
239	A	57.5	Low	52.9	Low	40 Å²	40	90 Å²	90	33%	0.331	49%	0.489	S	S	.	.	H	α-helix	trans	-81.1	-41.8	-177.7	0	0	0	0	0	112.9	D235 N236 N237 N241 G242 Q243	D235-A239 WeakPolarHBondContact O-CB 3.31Å; D235-A239 PolarHBondContact O-N 3.16Å; N236-A239 PolarHBondContact O-N 2.84Å; N237-A239 VanDerWaalsContact C-N 3.32Å; N237-A239 PolarHBondContact O-N 2.8Å; A239-N241 VanDerWaalsContact C-N 3.28Å; A239-N241 PolarHBondContact O-N 3.13Å; A239-G242 PolarHBondContact O-N 2.66Å; A239-Q243 WeakPolarHBondContact O-CG 3.46Å; A239-Q243 PolarHBondContact O-N 3.36Å
240	E	54.2	Low	50.7	Low	158 Å²	158	93.2 Å²	93.2	74%	0.738	51%	0.512	S	S	*	.	H	α-helix	trans	-60.2	-41.5	175.5	-76.1	-175.2	171.6	0	0	110.4	N236 G242	N236-E240 PolarHBondContact O-N 2.83Å; E240-G242 VanDerWaalsContact C-N 3.29Å; E240-G242 PolarHBondContact O-N 3.1Å
241	N	50.1	Low	48.7	Very low	63 Å²	63	98 Å²	98	34%	0.337	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.4	174.5	-70.3	-24.5	0	0	0	114.1	N237 A239 G419	N237-N241 WeakPolarHBondContact O-CB 3.38Å; N237-N241 PolarHBondContact O-N 2.88Å; N237-N241 PolarHBondContact O-ND2 2.93Å; N237-N241 PolarHBondContact OD1-ND2 2.95Å; A239-N241 VanDerWaalsContact C-N 3.28Å; A239-N241 PolarHBondContact O-N 3.13Å; N241-G419 WeakPolarHBondContact CB-O 3.38Å
242	G	46.1	Very low	46.7	Very low	26 Å²	26	97.9 Å²	97.9	27%	0.268	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.8	-20.4	179.2	0	0	0	0	0	115.5	R238 A239 E240 M244 S245	R238-G242 PolarHBondContact O-N 3.18Å; A239-G242 PolarHBondContact O-N 2.66Å; E240-G242 VanDerWaalsContact C-N 3.29Å; E240-G242 PolarHBondContact O-N 3.1Å; G242-M244 VanDerWaalsContact C-N 3.32Å; G242-M244 PolarHBondContact O-N 3.28Å; G242-S245 PolarHBondContact O-OG 3.26Å; G242-S245 VanDerWaalsContact O-OG 3.13Å
243	Q	39.2	Very low	44.2	Very low	160 Å²	160	95.5 Å²	95.5	75%	0.748	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	5.4	-173	-80.6	-171.6	32.4	0	0	115.6	A239 S245	A239-Q243 WeakPolarHBondContact O-CG 3.46Å; A239-Q243 PolarHBondContact O-N 3.36Å; Q243-S245 PolarHBondContact O-N 3.48Å
244	M	30.1	Very low	42.2	Very low	192 Å²	192	99.6 Å²	99.6	95%	0.946	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	11.6	168.8	-148.9	110.2	-165.8	0	0	113.6	G242	G242-M244 VanDerWaalsContact C-N 3.32Å; G242-M244 PolarHBondContact O-N 3.28Å
245	S	29.3	Very low	39.8	Very low	92 Å²	92	107.5 Å²	107.5	64%	0.643	64%	0.64	S	S	*	*	S	Bend	trans	-95	120.8	174.2	46.7	0	0	0	0	110.9	G242 Q243	G242-S245 PolarHBondContact O-OG 3.26Å; G242-S245 VanDerWaalsContact O-OG 3.13Å; Q243-S245 PolarHBondContact O-N 3.48Å
246	L	27.6	Very low	37.5	Very low	163 Å²	163	111.6 Å²	111.6	85%	0.853	66%	0.661	S	S	*	*			trans	-45.2	141.9	179	-81.7	144.2	0	0	0	112.5	S248	L246-S248 PolarHBondContact O-N 3.26Å; L246-S248 VanDerWaalsContact O-N 3.14Å
247	P	27.1	Very low	35.4	Very low	119 Å²	119	115.8 Å²	115.8	77%	0.773	68%	0.678	S	S	*	*			trans	-58.4	122.1	-177.8	22.4	-31.1	0	0	0	110.4	S249	P247-S249 PolarHBondContact O-N 3.36Å
248	S	25.6	Very low	33.4	Very low	115 Å²	115	119.2 Å²	119.2	80%	0.804	71%	0.709	S	S	*	*			trans	-46	109.9	174.6	47.5	0	0	0	0	111.4	L246 S250	L246-S248 PolarHBondContact O-N 3.26Å; L246-S248 VanDerWaalsContact O-N 3.14Å; S248-S250 PolarHBondContact O-N 2.87Å
249	S	27.9	Very low	31.3	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	73%	0.729	S	S	*	*			trans	-61.4	127.2	164.2	46.6	0	0	0	0	108.9	P247	P247-S249 PolarHBondContact O-N 3.36Å
250	S	26.9	Very low	29.6	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	75%	0.751	S	S	*	*			trans	-53	149.4	-175.3	-55.1	0	0	0	0	114	S248 G252	S248-S250 PolarHBondContact O-N 2.87Å; S250-G252 PolarHBondContact O-N 3.33Å
251	P	26.4	Very low	28	Very low	134 Å²	134	124.5 Å²	124.5	87%	0.87	75%	0.752	S	S	*	*			trans	-74.8	99.4	-174.1	30	-32.6	0	0	0	110.7
252	G	28.2	Very low	26.9	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	78%	0.778	S	S	*	*			trans	-92.6	98.7	166	0	0	0	0	0	109.6	S250	S250-G252 PolarHBondContact O-N 3.33Å
253	G	22.8	Very low	25.6	Very low	71 Å²	71	133 Å²	133	73%	0.732	80%	0.804	S	S	*	*			trans	-67.1	132.2	169.8	0	0	0	0	0	111
254	N	27.7	Very low	25	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	81%	0.809	S	S	*	*			trans	-155.6	91.2	152.7	-107.1	-2.8	0	0	0	107.6
255	E	20.5	Very low	24.5	Very low	179 Å²	179	129 Å²	129	84%	0.836	81%	0.805	S	S	*	*			trans	-72.5	132.4	157.9	-67.5	176.8	142.7	0	0	108.2
256	L	23	Very low	24.3	Very low	152 Å²	152	130.7 Å²	130.7	80%	0.796	82%	0.818	S	S	*	*			trans	147.5	142.2	131.4	-79.4	161.8	0	0	0	113.8
257	H	24.8	Very low	24	Very low	168 Å²	168	131.2 Å²	131.2	78%	0.778	82%	0.816	S	S	*	*			trans	88.6	81.7	159.2	-73.6	-73.8	0	0	0	120.4
258	A	22.9	Very low	23.7	Very low	92 Å²	92	132 Å²	132	76%	0.76	81%	0.813	S	S	*	*				41	124.9	112.2	0	0	0	0	0	121.2
259	E	19.2	Very low	23.7	Very low	181 Å²	181	138 Å²	138	85%	0.846	82%	0.82	S	S	*	*			trans	-27.3	134.9	161.7	-66.9	170.6	122.8	0	0	117.7
260	V	22.4	Very low	23.4	Very low	130 Å²	130	139.9 Å²	139.9	79%	0.788	82%	0.821	S	S	*	*			trans	-142.7	114.3	139.3	179.2	0	0	0	0	109.6	Q262	V260-Q262 HydrophobicContact CG1-CG 4.49Å
261	S	21.4	Very low	23.2	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	82%	0.818	S	S	*	*			trans	-73.8	129.9	167	-58	0	0	0	0	111.1
262	Q	25.1	Very low	23	Very low	187 Å²	187	138 Å²	138	87%	0.874	81%	0.811	S	S	*	*			trans	-142.3	113.5	156	-75.5	-169.5	-4.2	0	0	109.7	V260	V260-Q262 HydrophobicContact CG1-CG 4.49Å
263	G	20.4	Very low	23	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	82%	0.819	S	S	*	*			trans	-80.7	154.8	166.2	0	0	0	0	0	111.2
264	A	25	Very low	22.9	Very low	103 Å²	103	151.9 Å²	151.9	85%	0.851	83%	0.826	S	S	*	*			trans	-161.7	125.7	148.4	0	0	0	0	0	109.9
265	L	19.9	Very low	22.8	Very low	165 Å²	165	153.2 Å²	153.2	86%	0.864	82%	0.824	S	S	*	*			trans	-55.3	149.5	170.9	-60.6	148.7	0	0	0	111.5
266	S	25.6	Very low	23.1	Very low	129 Å²	129	152.1 Å²	152.1	90%	0.902	82%	0.819	S	S	*	*			trans	-166.9	127.3	138.4	-80.6	0	0	0	0	111.8
267	Q	22.3	Very low	23	Very low	174 Å²	174	150.9 Å²	150.9	81%	0.813	82%	0.817	S	S	*	*			trans	-84.2	159	-179.1	-66	175.1	-21.9	0	0	112.2
268	N	20.7	Very low	23.1	Very low	135 Å²	135	151.2 Å²	151.2	72%	0.722	82%	0.819	S	S	*	*			trans	55.8	112.1	143.1	-71.8	-13.9	0	0	0	118.8
269	Y	24.3	Very low	23.2	Very low	242 Å²	242	151.9 Å²	151.9	95%	0.949	82%	0.818	S	S	*	*			trans	-138.2	130.9	131.4	-108.6	-85.8	0	0	0	111.5
270	N	22.5	Very low	23.4	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	82%	0.815	S	S	*	*			trans	-72.4	165.5	175.8	-88.9	-42	0	0	0	112.4
271	S	22.2	Very low	23.8	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	82%	0.815	S	S	*	*			trans	99.1	104.4	139.4	-126	0	0	0	0	118
272	S	22.7	Very low	24	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	81%	0.814	S	S	*	*				62.9	107.4	117.3	-48.6	0	0	0	0	118.1
273	Q	27.2	Very low	24	Very low	204 Å²	204	146.2 Å²	146.2	95%	0.953	81%	0.814	S	S	*	*			trans	-156.4	127.9	131.1	-113.4	166.5	20.7	0	0	113
274	R	22.2	Very low	24.3	Very low	235 Å²	235	148.9 Å²	148.9	89%	0.887	81%	0.809	S	S	*	*			trans	-64.5	152.8	176	-65.8	167.8	168.2	171.3	-5.6	112.2
275	K	24.6	Very low	24.4	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	80%	0.803	S	S	*	*			trans	151.4	135.3	151.1	-88.2	165.1	-174.1	-176.6	0	106.1
276	H	27	Very low	24.7	Very low	155 Å²	155	149 Å²	149	72%	0.718	81%	0.807	S	S	*	*			cis	-156.4	143.3	14	-123.5	-87.8	0	0	0	106.6
277	V	21.7	Very low	24.7	Very low	127 Å²	127	149.5 Å²	149.5	77%	0.77	80%	0.8	S	S	*	*			trans	-79.1	127.5	174.6	174	0	0	0	0	108.5
278	H	26.5	Very low	24.7	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.806	79%	0.79	S	S	*	*			trans	-135.4	115.8	156.4	-84.6	-69.9	0	0	0	110.5
279	S	24.7	Very low	24.9	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	79%	0.794	S	S	*	*			trans	-36.5	128.2	178.8	-45.8	0	0	0	0	117
280	A	23.3	Very low	24.8	Very low	95 Å²	95	146.7 Å²	146.7	79%	0.785	80%	0.795	S	S	*	*			trans	-83	130.3	152.8	0	0	0	0	0	108.8
281	P	30.9	Very low	24.9	Very low	122 Å²	122	147.6 Å²	147.6	79%	0.792	79%	0.794	S	S	*	*			trans	-85.2	116.7	170	31.1	-26.4	0	0	0	109.5	L283	P281-L283 PolarHBondContact O-N 2.77Å
282	S	25.6	Very low	24.9	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	80%	0.802	S	S	*	*			trans	-70.1	115.3	162.3	51.8	0	0	0	0	108.7
283	L	25.4	Very low	24.9	Very low	167 Å²	167	153.3 Å²	153.3	87%	0.874	81%	0.807	S	S	*	*			trans	-110.2	89.1	167.8	-140.4	158.1	0	0	0	106.8	P281	P281-L283 PolarHBondContact O-N 2.77Å
284	D	25.9	Very low	24.7	Very low	136 Å²	136	150.1 Å²	150.1	73%	0.727	80%	0.797	S	S	*	*			trans	-64.2	146.2	168	-81.1	-46.1	0	0	0	110.6
285	A	27.5	Very low	24.8	Very low	87 Å²	87	145.1 Å²	145.1	72%	0.719	79%	0.792	S	S	*	*			trans	60.8	87.5	152.1	0	0	0	0	0	117.6
286	L	26.9	Very low	24.9	Very low	183 Å²	183	141.4 Å²	141.4	96%	0.958	79%	0.785	S	S	*	*			trans	-115	100.1	137.8	-131.7	81.9	0	0	0	108.6
287	D	24.3	Very low	24.9	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	78%	0.78	S	S	*	*			trans	-75.3	152	172.7	-179	19.3	0	0	0	110.5
288	S	23.6	Very low	25.3	Very low	85 Å²	85	141.2 Å²	141.2	59%	0.594	79%	0.786	S	S	*	*			trans	63.3	102.5	154.6	-69.7	0	0	0	0	120
289	D	24.8	Very low	25.8	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	78%	0.782	S	S	*	*			trans	-155.7	59.6	137	-102.1	-20.5	0	0	0	110.1	Q291	D289-Q291 PolarHBondContact O-N 2.84Å
290	W	21.8	Very low	26.4	Very low	252 Å²	252	144.4 Å²	144.4	96%	0.955	79%	0.79	S	S	*	*			trans	-80.2	97	158.8	-71.2	99.2	0	0	0	107.3	E292	W290-E292 PolarHBondContact O-N 3.48Å
291	Q	23.9	Very low	27.6	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	78%	0.775	S	S	*	*			trans	-67.8	98.5	168.2	-79.5	179.5	-8.7	0	0	108.6	D289 V293	D289-Q291 PolarHBondContact O-N 2.84Å; Q291-V293 PolarHBondContact O-N 2.77Å
292	E	21.8	Very low	28.7	Very low	189 Å²	189	142.3 Å²	142.3	88%	0.883	78%	0.777	S	S	*	*			trans	-49.2	107.4	161.7	-81.3	-177.6	142.1	0	0	108.7	W290 N294	W290-E292 PolarHBondContact O-N 3.48Å; E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 2.9Å
293	V	23.9	Very low	30.5	Very low	136 Å²	136	141.2 Å²	141.2	82%	0.824	76%	0.761	S	S	*	*			trans	-70.1	101.2	165.5	179.9	0	0	0	0	105.9	Q291 V295	Q291-V293 PolarHBondContact O-N 2.77Å; V293-V295 PolarHBondContact O-N 2.88Å
294	N	23	Very low	32.5	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	74%	0.738	S	S	*	*			trans	-14.9	102.2	165.1	-152.2	2.5	0	0	0	111.3	E292 V296	E292-N294 VanDerWaalsContact C-N 3.31Å; E292-N294 PolarHBondContact O-N 2.9Å; N294-V296 VanDerWaalsContact C-N 3.28Å; N294-V296 PolarHBondContact O-N 2.87Å
295	V	23.9	Very low	35.1	Very low	129 Å²	129	134.5 Å²	134.5	78%	0.782	74%	0.742	S	S	*	*			trans	-54.4	102.5	166.2	176.1	0	0	0	0	104.5	V293 S297	V293-V295 PolarHBondContact O-N 2.88Å; V295-S297 VanDerWaalsContact C-N 3.27Å; V295-S297 PolarHBondContact O-N 3.01Å
296	V	26.2	Very low	37.7	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.715	72%	0.72	S	S	*	*			trans	-58.2	104.7	174.7	178.3	0	0	0	0	104.4	N294 E298	N294-V296 VanDerWaalsContact C-N 3.28Å; N294-V296 PolarHBondContact O-N 2.87Å; V296-E298 PolarHBondContact O-N 2.66Å
297	S	26.7	Very low	40.4	Very low	87 Å²	87	126.7 Å²	126.7	61%	0.608	69%	0.691	S	S	*	*			trans	-40.5	132.6	174.8	45.6	0	0	0	0	108.1	V295 E299	V295-S297 VanDerWaalsContact C-N 3.27Å; V295-S297 PolarHBondContact O-N 3.01Å; S297-E299 PolarHBondContact O-N 2.78Å
298	E	32.1	Very low	43.1	Very low	191 Å²	191	126.5 Å²	126.5	89%	0.893	70%	0.695	S	S	*	*			trans	-46.6	92.7	166.5	-67	168.1	151.7	0	0	107.5	V296 E300	V296-E298 PolarHBondContact O-N 2.66Å; E298-E300 VanDerWaalsContact C-N 3.33Å; E298-E300 PolarHBondContact O-N 2.89Å
299	E	35.5	Very low	45.6	Very low	153 Å²	153	123.6 Å²	123.6	72%	0.715	68%	0.679	S	S	*	*			trans	-59.3	109.9	166	-76.4	179.2	162.9	0	0	103.4	S297 D301	S297-E299 PolarHBondContact O-N 2.78Å; E299-D301 PolarHBondContact O-N 3.29Å
300	E	37.4	Very low	48.5	Very low	194 Å²	194	119.2 Å²	119.2	91%	0.907	65%	0.651	S	S	*	*			trans	-57.2	71.5	160.8	-78.6	-174.5	139.4	0	0	107.5	E298 G302	E298-E300 VanDerWaalsContact C-N 3.33Å; E298-E300 PolarHBondContact O-N 2.89Å; E300-G302 VanDerWaalsContact C-N 3.31Å; E300-G302 PolarHBondContact O-N 3.22Å
301	D	48.2	Very low	51.4	Low	91 Å²	91	111 Å²	111	49%	0.487	62%	0.623	S	S	.	*			trans	-59.9	107.3	156.5	-166.5	2.8	0	0	0	102.6	E299 Q303	E299-D301 PolarHBondContact O-N 3.29Å; D301-Q303 PolarHBondContact O-N 2.64Å; D301-Q303 PolarHBondContact OD1-NE2 3.01Å; D301-Q303 PolarHBondContact OD2-NE2 3.36Å
302	G	55.1	Low	54.1	Low	81 Å²	81	105.1 Å²	105.1	84%	0.835	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	29.5	-165.3	0	0	0	0	0	115.9	E300	E300-G302 VanDerWaalsContact C-N 3.31Å; E300-G302 PolarHBondContact O-N 3.22Å
303	Q	63.2	Low	56.9	Low	83 Å²	83	100 Å²	100	39%	0.388	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	-2.7	-178.6	-56.7	-177	43.9	0	0	112.5	D301	D301-Q303 PolarHBondContact O-N 2.64Å; D301-Q303 PolarHBondContact OD1-NE2 3.01Å; D301-Q303 PolarHBondContact OD2-NE2 3.36Å
304	G	66.8	Low	59.3	Low	39 Å²	39	97.8 Å²	97.8	40%	0.402	56%	0.561	S	S	.	*			trans	77.9	-177.9	176.6	0	0	0	0	0	114.8	R336	G304-R336 WeakPolarHBondContact O-CD 3.35Å; G304-R336 PolarHBondContact O-NH1 2.93Å
305	P	80.4	Confident	61.4	Low	123 Å²	123	91.8 Å²	91.8	80%	0.799	53%	0.531	S	S	*	.	S	Bend	trans	-66.4	151.3	-176.6	27.8	-34.4	0	0	0	111.9
306	L	82	Confident	62.8	Low	50 Å²	50	91.4 Å²	91.4	26%	0.262	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-63.2	146.8	172	-72.5	161.4	0	0	0	110.4	W310 T312 F322 P335 R336	L306-W310 HydrophobicContact CB-CB 4.15Å; L306-T312 WeakPolarHBondContact CD1-OG1 3.18Å; L306-F322 HydrophobicContact CD2-CD1 3.98Å; L306-F322 HydrophobicContact CD2-CE1 4.14Å; L306-P335 HydrophobicContact CD2-CG 3.92Å; L306-R336 HydrophobicContact CD2-CG 4.39Å
307	P	84.9	Confident	64.6	Low	56 Å²	56	89.3 Å²	89.3	36%	0.364	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-58	155.7	174.4	-21	31.7	0	0	0	112.1	G309 W310 P335	P307-G309 PolarHBondContact O-N 3.44Å; P307-W310 HydrophobicContact CB-CG 4.37Å; P307-W310 WeakPolarHBondContact O-CB 3.37Å; P307-W310 PolarHBondContact O-N 3.4Å; P307-P335 HydrophobicContact CG-CB 4.26Å; P307-P335 HydrophobicContact CG-CG 4.39Å
308	V	80.4	Confident	66.5	Low	137 Å²	137	87.2 Å²	87.2	83%	0.83	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	131.8	177.9	170.6	0	0	0	0	111	W310 N326	V308-W310 VanDerWaalsContact C-N 3.32Å; V308-N326 PolarHBondContact O-ND2 3.13Å
309	G	76.7	Confident	68.8	Low	24 Å²	24	80 Å²	80	25%	0.247	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	3	-178	0	0	0	0	0	114.5	P307 H325	P307-G309 PolarHBondContact O-N 3.44Å; G309-H325 WeakPolarHBondContact O-CB 2.99Å; G309-H325 PolarHBondContact O-CD2 2.97Å; G309-H325 PolarHBondContact O-N 3.46Å
310	W	84.2	Confident	70.8	Confident	62 Å²	62	77.9 Å²	77.9	24%	0.235	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.4	174.3	-70.7	75.1	0	0	0	112.4	L306 P307 V308 F322 I323 D324 T331 P335	L306-W310 HydrophobicContact CB-CB 4.15Å; P307-W310 HydrophobicContact CB-CG 4.37Å; P307-W310 WeakPolarHBondContact O-CB 3.37Å; P307-W310 PolarHBondContact O-N 3.4Å; V308-W310 VanDerWaalsContact C-N 3.32Å; W310-F322 HydrophobicContact CE3-CB 3.88Å; W310-F322 HydrophobicContact CZ3-CB 3.87Å; W310-I323 CarbonylContact C-O 3.51Å; W310-I323 VanDerWaalsContact CA-O 3.31Å; W310-I323 WeakPolarHBondContact CA-O 3.43Å; W310-D324 HydrophobicContact CD2-CB 3.99Å; W310-D324 HydrophobicContact CE3-CB 4.07Å; W310-D324 HydrophobicContact CH2-CB 3.87Å; W310-D324 HydrophobicContact CZ2-CB 3.73Å; W310-D324 HydrophobicContact CZ3-CB 4.04Å; W310-T331 HydrophobicContact CH2-CG2 4Å; W310-T331 HydrophobicContact CZ3-CG2 3.65Å; W310-P335 HydrophobicContact CB-CG 4.46Å; W310-P335 HydrophobicContact CD2-CB 3.78Å; W310-P335 HydrophobicContact CD2-CG 3.64Å; W310-P335 HydrophobicContact CE3-CB 3.8Å; W310-P335 HydrophobicContact CE3-CG 3.46Å; W310-P335 VanDerWaalsContact CE3-CG 3.46Å; W310-P335 HydrophobicContact CG-CB 4.46Å; W310-P335 HydrophobicContact CG-CG 4.1Å; W310-P335 HydrophobicContact CH2-CB 3.87Å; W310-P335 HydrophobicContact CH2-CG 4.41Å; W310-P335 HydrophobicContact CZ2-CB 3.88Å; W310-P335 HydrophobicContact CZ3-CB 3.83Å; W310-P335 HydrophobicContact CZ3-CG 3.86Å
311	Q	83.5	Confident	72.8	Confident	79 Å²	79	70.1 Å²	70.1	37%	0.369	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.9	174.5	-179.3	-179.2	3.6	0	0	109.9	F322 I323 H325	Q311-F322 CarbonylContact O-C 3.6Å; Q311-F322 WeakPolarHBondContact O-CA 3.48Å; Q311-I323 HydrophobicContact CB-CB 4.4Å; Q311-I323 PolarHBondContact N-O 3.03Å; Q311-I323 PolarHBondContact O-N 2.95Å; Q311-H325 PolarHBondContact OE1-CE1 3.4Å; Q311-H325 PolarHBondContact OE1-NE2 3.39Å
312	T	81.3	Confident	74.6	Confident	47 Å²	47	65.9 Å²	65.9	29%	0.288	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.1	171.7	-59.1	0	0	0	0	110.4	L306 K320 F322	L306-T312 WeakPolarHBondContact CD1-OG1 3.18Å; T312-K320 HydrophobicContact CG2-CB 4.41Å; T312-F322 HydrophobicContact CG2-CD1 4.18Å; T312-F322 HydrophobicContact CG2-CE1 3.89Å; T312-F322 HydrophobicContact CG2-CZ 4.44Å; T312-F322 WeakPolarHBondContact OG1-CD1 3.28Å; T312-F322 WeakPolarHBondContact OG1-CE1 3.28Å
313	Q	78.9	Confident	75.6	Confident	81 Å²	81	62.7 Å²	62.7	38%	0.379	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	167.9	172	-71.8	-167	15.8	0	0	111.2	K320 F321 I323	Q313-K320 CarbonylContact O-C 3.59Å; Q313-K320 VanDerWaalsContact O-CA 3.28Å; Q313-K320 WeakPolarHBondContact O-CA 3.41Å; Q313-F321 HydrophobicContact CB-CD1 4.28Å; Q313-F321 HydrophobicContact CB-CE1 3.65Å; Q313-F321 HydrophobicContact CB-CE2 4.16Å; Q313-F321 HydrophobicContact CB-CZ 3.58Å; Q313-F321 PolarHBondContact N-O 3.14Å; Q313-F321 PolarHBondContact O-N 2.64Å; Q313-F321 VanDerWaalsContact O-O 3.1Å; Q313-I323 HydrophobicContact CB-CD1 4.4Å; Q313-I323 VanDerWaalsContact CD-CD1 3.47Å; Q313-I323 HydrophobicContact CG-CD1 3.85Å
314	V	75.8	Confident	76.4	Confident	90 Å²	90	59.6 Å²	59.6	55%	0.545	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123	177.5	-174	0	0	0	0	108.7	G318 K320	V314-G318 WeakPolarHBondContact CG1-O 3.28Å; V314-K320 HydrophobicContact CG2-CG 4.07Å
315	A	66.2	Low	76.6	Confident	12 Å²	12	62.1 Å²	62.1	10%	0.099	35%	0.352	C	S	.	.			trans	-73.3	162.4	176.3	0	0	0	0	0	111.2	N317 G318 R319 F321 W332	A315-N317 WeakPolarHBondContact CB-OD1 3.45Å; A315-N317 PolarHBondContact O-N 2.76Å; A315-G318 WeakPolarHBondContact O-CA 3.3Å; A315-G318 PolarHBondContact O-N 2.85Å; A315-R319 WeakPolarHBondContact CB-O 3.2Å; A315-R319 PolarHBondContact N-O 3.06Å; A315-F321 HydrophobicContact CB-CD1 3.84Å; A315-F321 HydrophobicContact CB-CE1 3.97Å; A315-W332 HydrophobicContact CB-CH2 3.5Å; A315-W332 HydrophobicContact CB-CZ3 3.96Å
316	P	53.8	Low	76.4	Confident	122 Å²	122	61.6 Å²	61.6	79%	0.792	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.9	-178.5	-27.4	35.3	0	0	0	114.9	G318 Y349	P316-G318 PolarHBondContact O-N 3.09Å; P316-Y349 WeakPolarHBondContact O-CE2 3.42Å
317	N	63.5	Low	76	Confident	73 Å²	73	62 Å²	62	39%	0.39	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	5.4	174.2	65	-0	0	0	0	114	A315 R319 P344 Y349	A315-N317 WeakPolarHBondContact CB-OD1 3.45Å; A315-N317 PolarHBondContact O-N 2.76Å; N317-R319 VanDerWaalsContact C-N 3.27Å; N317-R319 PolarHBondContact O-N 2.89Å; N317-R319 WeakPolarHBondContact OD1-CB 3.49Å; N317-R319 PolarHBondContact OD1-N 3.4Å; N317-P344 WeakPolarHBondContact O-CG 3.22Å; N317-Y349 HydrophobicContact CB-CD2 4.38Å; N317-Y349 HydrophobicContact CB-CE2 4.38Å
318	G	67.5	Low	74.9	Confident	43 Å²	43	66.3 Å²	66.3	44%	0.443	36%	0.363	S	S	.	.	S	Bend	trans	81	-1.7	-176.6	0	0	0	0	0	114.4	V314 A315 P316 P344	V314-G318 WeakPolarHBondContact CG1-O 3.28Å; A315-G318 WeakPolarHBondContact O-CA 3.3Å; A315-G318 PolarHBondContact O-N 2.85Å; P316-G318 PolarHBondContact O-N 3.09Å; G318-P344 VanDerWaalsContact C-CG 3.49Å
319	R	79.1	Confident	74.1	Confident	40 Å²	40	62.5 Å²	62.5	15%	0.151	34%	0.34	C	S	.	.			trans	-81.9	130.4	-177.1	-169.4	177.4	177.6	-161.7	2.6	110.1	A315 N317 W332 T341 P344	A315-R319 WeakPolarHBondContact CB-O 3.2Å; A315-R319 PolarHBondContact N-O 3.06Å; N317-R319 VanDerWaalsContact C-N 3.27Å; N317-R319 PolarHBondContact O-N 2.89Å; N317-R319 WeakPolarHBondContact OD1-CB 3.49Å; N317-R319 PolarHBondContact OD1-N 3.4Å; R319-W332 HydrophobicContact CB-CE3 4.19Å; R319-W332 HydrophobicContact CB-CH2 4.27Å; R319-W332 HydrophobicContact CB-CZ3 3.55Å; R319-W332 HydrophobicContact CG-CE3 3.55Å; R319-W332 HydrophobicContact CG-CH2 4.47Å; R319-W332 HydrophobicContact CG-CZ3 3.46Å; R319-W332 VanDerWaalsContact CG-CZ3 3.46Å; R319-T341 PolarHBondContact NE-O 2.87Å; R319-T341 VanDerWaalsContact NE-O 3.14Å; R319-T341 PolarHBondContact NH2-O 3.36Å; R319-P344 HydrophobicContact CB-CG 3.83Å
320	K	77.3	Confident	74	Confident	108 Å²	108	62.2 Å²	62.2	47%	0.47	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.2	173.1	-72.1	178.3	-176.2	178.6	0	110.9	T312 Q313 V314 W332 T341	T312-K320 HydrophobicContact CG2-CB 4.41Å; Q313-K320 CarbonylContact O-C 3.59Å; Q313-K320 VanDerWaalsContact O-CA 3.28Å; Q313-K320 WeakPolarHBondContact O-CA 3.41Å; V314-K320 HydrophobicContact CG2-CG 4.07Å; K320-W332 VanDerWaalsContact O-CE3 3.31Å; K320-T341 HydrophobicContact CB-CG2 3.8Å; K320-T341 WeakPolarHBondContact O-CB 3.48Å; K320-T341 PolarHBondContact O-OG1 3.07Å
321	F	79.5	Confident	73.7	Confident	31 Å²	31	61 Å²	61	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.5	170.5	68.4	-79.3	0	0	0	110.3	Q313 A315 I323 T330 W332	Q313-F321 HydrophobicContact CB-CD1 4.28Å; Q313-F321 HydrophobicContact CB-CE1 3.65Å; Q313-F321 HydrophobicContact CB-CE2 4.16Å; Q313-F321 HydrophobicContact CB-CZ 3.58Å; Q313-F321 PolarHBondContact N-O 3.14Å; Q313-F321 PolarHBondContact O-N 2.64Å; Q313-F321 VanDerWaalsContact O-O 3.1Å; A315-F321 HydrophobicContact CB-CD1 3.84Å; A315-F321 HydrophobicContact CB-CE1 3.97Å; F321-I323 HydrophobicContact CD2-CG1 4.05Å; F321-I323 HydrophobicContact CE2-CD1 3.86Å; F321-I323 HydrophobicContact CE2-CG1 3.68Å; F321-I323 HydrophobicContact CZ-CD1 4.45Å; F321-T330 HydrophobicContact CD2-CG2 4.38Å; F321-T330 HydrophobicContact CE2-CG2 4.24Å; F321-W332 HydrophobicContact CB-CD2 4.11Å; F321-W332 HydrophobicContact CB-CE3 3.56Å; F321-W332 HydrophobicContact CB-CH2 4.21Å; F321-W332 HydrophobicContact CB-CZ3 3.6Å; F321-W332 HydrophobicContact CD1-CH2 4.4Å; F321-W332 HydrophobicContact CD1-CZ3 4.21Å; F321-W332 HydrophobicContact CG-CZ3 4.29Å
322	F	85.7	Confident	73.6	Confident	3 Å²	3	60.7 Å²	60.7	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135	-173.8	-54.7	-92.4	0	0	0	109.4	L306 W310 Q311 T312 T330 T331 V333 D334 T341	L306-F322 HydrophobicContact CD2-CD1 3.98Å; L306-F322 HydrophobicContact CD2-CE1 4.14Å; W310-F322 HydrophobicContact CE3-CB 3.88Å; W310-F322 HydrophobicContact CZ3-CB 3.87Å; Q311-F322 CarbonylContact O-C 3.6Å; Q311-F322 WeakPolarHBondContact O-CA 3.48Å; T312-F322 HydrophobicContact CG2-CD1 4.18Å; T312-F322 HydrophobicContact CG2-CE1 3.89Å; T312-F322 HydrophobicContact CG2-CZ 4.44Å; T312-F322 WeakPolarHBondContact OG1-CD1 3.28Å; T312-F322 WeakPolarHBondContact OG1-CE1 3.28Å; F322-T330 CarbonylContact O-C 3.51Å; F322-T330 WeakPolarHBondContact O-CA 3.49Å; F322-T330 WeakPolarHBondContact O-CB 3.4Å; F322-T331 HydrophobicContact CB-CG2 4.14Å; F322-T331 PolarHBondContact N-O 2.68Å; F322-T331 PolarHBondContact O-N 3.33Å; F322-V333 VanDerWaalsContact CD2-O 3.3Å; F322-V333 WeakPolarHBondContact CD2-O 3.42Å; F322-D334 HydrophobicContact CD2-CB 4.29Å; F322-D334 HydrophobicContact CE1-CB 3.95Å; F322-D334 VanDerWaalsContact CE1-CG 3.49Å; F322-D334 VanDerWaalsContact CE1-OD2 3.29Å; F322-D334 WeakPolarHBondContact CE1-OD2 3.34Å; F322-D334 HydrophobicContact CE2-CB 3.54Å; F322-D334 HydrophobicContact CZ-CB 3.34Å; F322-D334 WeakPolarHBondContact CZ-OD2 3.25Å; F322-T341 HydrophobicContact CE2-CG2 3.62Å; F322-T341 HydrophobicContact CZ-CG2 3.98Å
323	I	77.2	Confident	73.6	Confident	13 Å²	13	60.9 Å²	60.9	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.8	-178.4	-55	176.8	0	0	0	106.8	W310 Q311 Q313 F321 T330	W310-I323 CarbonylContact C-O 3.51Å; W310-I323 VanDerWaalsContact CA-O 3.31Å; W310-I323 WeakPolarHBondContact CA-O 3.43Å; Q311-I323 HydrophobicContact CB-CB 4.4Å; Q311-I323 PolarHBondContact N-O 3.03Å; Q311-I323 PolarHBondContact O-N 2.95Å; Q313-I323 HydrophobicContact CB-CD1 4.4Å; Q313-I323 VanDerWaalsContact CD-CD1 3.47Å; Q313-I323 HydrophobicContact CG-CD1 3.85Å; F321-I323 HydrophobicContact CD2-CG1 4.05Å; F321-I323 HydrophobicContact CE2-CD1 3.86Å; F321-I323 HydrophobicContact CE2-CG1 3.68Å; F321-I323 HydrophobicContact CZ-CD1 4.45Å; I323-T330 HydrophobicContact CB-CG2 4.26Å; I323-T330 HydrophobicContact CG1-CG2 3.79Å; I323-T330 HydrophobicContact CG2-CG2 4.18Å
324	D	80.7	Confident	73.7	Confident	19 Å²	19	57.5 Å²	57.5	10%	0.102	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	104.1	168.6	178.2	12	0	0	0	108.6	W310 N326 S327 K328 T329	W310-D324 HydrophobicContact CD2-CB 3.99Å; W310-D324 HydrophobicContact CE3-CB 4.07Å; W310-D324 HydrophobicContact CH2-CB 3.87Å; W310-D324 HydrophobicContact CZ2-CB 3.73Å; W310-D324 HydrophobicContact CZ3-CB 4.04Å; D324-N326 PolarHBondContact O-N 2.91Å; D324-N326 WeakPolarHBondContact OD1-CB 3.42Å; D324-N326 PolarHBondContact OD1-N 2.91Å; D324-N326 PolarHBondContact OD1-ND2 2.87Å; D324-S327 WeakPolarHBondContact CB-OG 3.46Å; D324-S327 VanDerWaalsContact OD2-CB 3.23Å; D324-S327 WeakPolarHBondContact OD2-CB 3.39Å; D324-S327 PolarHBondContact OD2-N 3.38Å; D324-S327 PolarHBondContact OD2-OG 3.4Å; D324-K328 VanDerWaalsContact O-CA 3.3Å; D324-K328 WeakPolarHBondContact O-CA 3.33Å; D324-K328 PolarHBondContact O-N 3.36Å; D324-T329 PolarHBondContact N-O 3.23Å; D324-T329 PolarHBondContact O-N 2.68Å
325	H	70.6	Confident	74	Confident	91 Å²	91	55.1 Å²	55.1	42%	0.421	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.8	177.8	-68.4	-76.4	0	0	0	112.4	G309 Q311	G309-H325 WeakPolarHBondContact O-CB 2.99Å; G309-H325 PolarHBondContact O-CD2 2.97Å; G309-H325 PolarHBondContact O-N 3.46Å; Q311-H325 PolarHBondContact OE1-CE1 3.4Å; Q311-H325 PolarHBondContact OE1-NE2 3.39Å
326	N	75.8	Confident	74.9	Confident	112 Å²	112	58.4 Å²	58.4	60%	0.599	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-46.9	178.3	-50	-62.4	0	0	0	111	V308 D324	V308-N326 PolarHBondContact O-ND2 3.13Å; D324-N326 PolarHBondContact O-N 2.91Å; D324-N326 WeakPolarHBondContact OD1-CB 3.42Å; D324-N326 PolarHBondContact OD1-N 2.91Å; D324-N326 PolarHBondContact OD1-ND2 2.87Å
327	S	74.3	Confident	76.2	Confident	59 Å²	59	54.9 Å²	54.9	41%	0.413	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.7	178	65.5	0	0	0	0	114.1	D324 T329	D324-S327 WeakPolarHBondContact CB-OG 3.46Å; D324-S327 VanDerWaalsContact OD2-CB 3.23Å; D324-S327 WeakPolarHBondContact OD2-CB 3.39Å; D324-S327 PolarHBondContact OD2-N 3.38Å; D324-S327 PolarHBondContact OD2-OG 3.4Å; S327-T329 PolarHBondContact O-N 3.39Å; S327-T329 PolarHBondContact OG-OG1 3.25Å
328	K	60.9	Low	76.9	Confident	147 Å²	147	54 Å²	54	64%	0.639	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.8	-172.3	-58.9	-173.3	179.7	-178.7	0	112.2	D324 W370	D324-K328 VanDerWaalsContact O-CA 3.3Å; D324-K328 WeakPolarHBondContact O-CA 3.33Å; D324-K328 PolarHBondContact O-N 3.36Å; K328-W370 PolarHBondContact O-NE1 2.84Å
329	T	64.2	Low	77.4	Confident	56 Å²	56	59 Å²	59	34%	0.344	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.4	176.7	65.5	0	0	0	0	110.5	D324 S327	D324-T329 PolarHBondContact N-O 3.23Å; D324-T329 PolarHBondContact O-N 2.68Å; S327-T329 PolarHBondContact O-N 3.39Å; S327-T329 PolarHBondContact OG-OG1 3.25Å
330	T	73.4	Confident	77.2	Confident	18 Å²	18	61.4 Å²	61.4	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.9	167.3	92.7	0	0	0	0	110.6	F321 F322 I323 T368	F321-T330 HydrophobicContact CD2-CG2 4.38Å; F321-T330 HydrophobicContact CE2-CG2 4.24Å; F322-T330 CarbonylContact O-C 3.51Å; F322-T330 WeakPolarHBondContact O-CA 3.49Å; F322-T330 WeakPolarHBondContact O-CB 3.4Å; I323-T330 HydrophobicContact CB-CG2 4.26Å; I323-T330 HydrophobicContact CG1-CG2 3.79Å; I323-T330 HydrophobicContact CG2-CG2 4.18Å; T330-T368 WeakPolarHBondContact CB-OG1 3.35Å; T330-T368 WeakPolarHBondContact CG2-OG1 3.23Å; T330-T368 WeakPolarHBondContact OG1-CB 3.34Å; T330-T368 PolarHBondContact OG1-OG1 3.34Å
331	T	77.8	Confident	77.3	Confident	38 Å²	38	57.4 Å²	57.4	23%	0.233	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.9	-174.2	-179.3	0	0	0	0	110.5	W310 F322 V333	W310-T331 HydrophobicContact CH2-CG2 4Å; W310-T331 HydrophobicContact CZ3-CG2 3.65Å; F322-T331 HydrophobicContact CB-CG2 4.14Å; F322-T331 PolarHBondContact N-O 2.68Å; F322-T331 PolarHBondContact O-N 3.33Å; T331-V333 VanDerWaalsContact CG2-O 3.31Å; T331-V333 WeakPolarHBondContact CG2-O 3.34Å; T331-V333 PolarHBondContact OG1-N 3.13Å; T331-V333 VanDerWaalsContact OG1-N 3.09Å
332	W	81.7	Confident	77.1	Confident	72 Å²	72	60.1 Å²	60.1	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-86.2	0.5	170.8	-57.7	99.6	0	0	0	112.5	A315 R319 K320 F321 P340 T341	A315-W332 HydrophobicContact CB-CH2 3.5Å; A315-W332 HydrophobicContact CB-CZ3 3.96Å; R319-W332 HydrophobicContact CB-CE3 4.19Å; R319-W332 HydrophobicContact CB-CH2 4.27Å; R319-W332 HydrophobicContact CB-CZ3 3.55Å; R319-W332 HydrophobicContact CG-CE3 3.55Å; R319-W332 HydrophobicContact CG-CH2 4.47Å; R319-W332 HydrophobicContact CG-CZ3 3.46Å; R319-W332 VanDerWaalsContact CG-CZ3 3.46Å; K320-W332 VanDerWaalsContact O-CE3 3.31Å; F321-W332 HydrophobicContact CB-CD2 4.11Å; F321-W332 HydrophobicContact CB-CE3 3.56Å; F321-W332 HydrophobicContact CB-CH2 4.21Å; F321-W332 HydrophobicContact CB-CZ3 3.6Å; F321-W332 HydrophobicContact CD1-CH2 4.4Å; F321-W332 HydrophobicContact CD1-CZ3 4.21Å; F321-W332 HydrophobicContact CG-CZ3 4.29Å; W332-P340 CarbonylContact O-C 3.59Å; W332-P340 VanDerWaalsContact O-CA 3.31Å; W332-P340 WeakPolarHBondContact O-CA 3.28Å; W332-T341 PolarHBondContact O-N 3.25Å; W332-T341 PolarHBondContact O-OG1 2.86Å
333	V	81.3	Confident	76.3	Confident	50 Å²	50	66.3 Å²	66.3	30%	0.303	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-96.4	125.3	-179.1	-177.3	0	0	0	0	109.1	F322 T331 G338 P340	F322-V333 VanDerWaalsContact CD2-O 3.3Å; F322-V333 WeakPolarHBondContact CD2-O 3.42Å; T331-V333 VanDerWaalsContact CG2-O 3.31Å; T331-V333 WeakPolarHBondContact CG2-O 3.34Å; T331-V333 PolarHBondContact OG1-N 3.13Å; T331-V333 VanDerWaalsContact OG1-N 3.09Å; V333-G338 WeakPolarHBondContact CG1-O 3.37Å; V333-P340 HydrophobicContact CG2-CG 4.31Å
334	D	81.6	Confident	75.9	Confident	11 Å²	11	67.8 Å²	67.8	6%	0.059	38%	0.383	C	S	.	.			trans	-68	122.2	174.8	-169.8	-43.6	0	0	0	109.1	F322 R336 S337 G338 K339	F322-D334 HydrophobicContact CD2-CB 4.29Å; F322-D334 HydrophobicContact CE1-CB 3.95Å; F322-D334 VanDerWaalsContact CE1-CG 3.49Å; F322-D334 VanDerWaalsContact CE1-OD2 3.29Å; F322-D334 WeakPolarHBondContact CE1-OD2 3.34Å; F322-D334 HydrophobicContact CE2-CB 3.54Å; F322-D334 HydrophobicContact CZ-CB 3.34Å; F322-D334 WeakPolarHBondContact CZ-OD2 3.25Å; D334-R336 PolarHBondContact O-N 3.3Å; D334-R336 VanDerWaalsContact O-N 3.16Å; D334-R336 VanDerWaalsContact OD1-CB 3.27Å; D334-R336 WeakPolarHBondContact OD1-CB 3.44Å; D334-R336 IonicContact OD1-CZ 3.21Å; D334-R336 PolarHBondContact OD1-N 2.87Å; D334-R336 IonicContact OD1-NE 3.18Å; D334-R336 PolarHBondContact OD1-NE 2.66Å; D334-R336 IonicContact OD1-NH2 3.98Å; D334-R336 IonicContact OD2-CZ 2.97Å; D334-R336 IonicContact OD2-NE 2.69Å; D334-R336 PolarHBondContact OD2-NE 3.08Å; D334-R336 IonicContact OD2-NH2 2.76Å; D334-R336 PolarHBondContact OD2-NH2 2.6Å; D334-S337 WeakPolarHBondContact CB-OG 3.32Å; D334-S337 PolarHBondContact O-N 2.91Å; D334-G338 WeakPolarHBondContact O-CA 3.19Å; D334-G338 PolarHBondContact O-N 3.1Å; D334-K339 PolarHBondContact N-O 3.5Å
335	P	81.8	Confident	74.8	Confident	40 Å²	40	73.6 Å²	73.6	26%	0.26	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.6	-178.2	29.2	-39.2	0	0	0	113.3	L306 P307 W310	L306-P335 HydrophobicContact CD2-CG 3.92Å; P307-P335 HydrophobicContact CG-CB 4.26Å; P307-P335 HydrophobicContact CG-CG 4.39Å; W310-P335 HydrophobicContact CB-CG 4.46Å; W310-P335 HydrophobicContact CD2-CB 3.78Å; W310-P335 HydrophobicContact CD2-CG 3.64Å; W310-P335 HydrophobicContact CE3-CB 3.8Å; W310-P335 HydrophobicContact CE3-CG 3.46Å; W310-P335 VanDerWaalsContact CE3-CG 3.46Å; W310-P335 HydrophobicContact CG-CB 4.46Å; W310-P335 HydrophobicContact CG-CG 4.1Å; W310-P335 HydrophobicContact CH2-CB 3.87Å; W310-P335 HydrophobicContact CH2-CG 4.41Å; W310-P335 HydrophobicContact CZ2-CB 3.88Å; W310-P335 HydrophobicContact CZ3-CB 3.83Å; W310-P335 HydrophobicContact CZ3-CG 3.86Å
336	R	85.1	Confident	73.9	Confident	80 Å²	80	78.7 Å²	78.7	30%	0.302	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-41.2	-179.7	-60.8	166.7	-71.4	-173.8	1.8	111.9	G304 L306 D334	G304-R336 WeakPolarHBondContact O-CD 3.35Å; G304-R336 PolarHBondContact O-NH1 2.93Å; L306-R336 HydrophobicContact CD2-CG 4.39Å; D334-R336 PolarHBondContact O-N 3.3Å; D334-R336 VanDerWaalsContact O-N 3.16Å; D334-R336 VanDerWaalsContact OD1-CB 3.27Å; D334-R336 WeakPolarHBondContact OD1-CB 3.44Å; D334-R336 IonicContact OD1-CZ 3.21Å; D334-R336 PolarHBondContact OD1-N 2.87Å; D334-R336 IonicContact OD1-NE 3.18Å; D334-R336 PolarHBondContact OD1-NE 2.66Å; D334-R336 IonicContact OD1-NH2 3.98Å; D334-R336 IonicContact OD2-CZ 2.97Å; D334-R336 IonicContact OD2-NE 2.69Å; D334-R336 PolarHBondContact OD2-NE 3.08Å; D334-R336 IonicContact OD2-NH2 2.76Å; D334-R336 PolarHBondContact OD2-NH2 2.6Å
337	S	82.3	Confident	72.6	Confident	48 Å²	48	83.2 Å²	83.2	34%	0.336	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-17.2	-176.5	67.1	0	0	0	0	113.9	D334 K339	D334-S337 WeakPolarHBondContact CB-OG 3.32Å; D334-S337 PolarHBondContact O-N 2.91Å; S337-K339 PolarHBondContact O-N 2.97Å; S337-K339 PolarHBondContact OG-N 2.79Å
338	G	77.4	Confident	71.2	Confident	56 Å²	56	86.2 Å²	86.2	58%	0.577	47%	0.465	S	S	*	.			trans	65	9.7	-169.4	0	0	0	0	0	113.4	V333 D334	V333-G338 WeakPolarHBondContact CG1-O 3.37Å; D334-G338 WeakPolarHBondContact O-CA 3.19Å; D334-G338 PolarHBondContact O-N 3.1Å
339	K	78	Confident	70.3	Confident	148 Å²	148	85.1 Å²	85.1	64%	0.643	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-101.9	139.9	-177.6	-66.1	179.7	-177.7	175.3	0	111.1	D334 S337	D334-K339 PolarHBondContact N-O 3.5Å; S337-K339 PolarHBondContact O-N 2.97Å; S337-K339 PolarHBondContact OG-N 2.79Å
340	P	75.7	Confident	69.3	Low	89 Å²	89	90.8 Å²	90.8	58%	0.578	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-63.1	139.5	170.9	-17	29.1	0	0	0	111.6	W332 V333	W332-P340 CarbonylContact O-C 3.59Å; W332-P340 VanDerWaalsContact O-CA 3.31Å; W332-P340 WeakPolarHBondContact O-CA 3.28Å; V333-P340 HydrophobicContact CG2-CG 4.31Å
341	T	77.7	Confident	67.7	Low	25 Å²	25	94.1 Å²	94.1	15%	0.153	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-62.1	137.7	167.8	38.4	0	0	0	0	110.8	R319 K320 F322 W332	R319-T341 PolarHBondContact NE-O 2.87Å; R319-T341 VanDerWaalsContact NE-O 3.14Å; R319-T341 PolarHBondContact NH2-O 3.36Å; K320-T341 HydrophobicContact CB-CG2 3.8Å; K320-T341 WeakPolarHBondContact O-CB 3.48Å; K320-T341 PolarHBondContact O-OG1 3.07Å; F322-T341 HydrophobicContact CE2-CG2 3.62Å; F322-T341 HydrophobicContact CZ-CG2 3.98Å; W332-T341 PolarHBondContact O-N 3.25Å; W332-T341 PolarHBondContact O-OG1 2.86Å
342	A	75.9	Confident	66.1	Low	87 Å²	87	101.2 Å²	101.2	72%	0.719	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-57.4	141.7	177.5	0	0	0	0	0	111.1	P344	A342-P344 WeakPolarHBondContact O-CD 3.49Å
343	I	68.8	Low	64.3	Low	133 Å²	133	105.7 Å²	105.7	68%	0.682	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-76.1	123	175.1	-58.7	170.5	0	0	0	107
344	P	68.3	Low	62.4	Low	45 Å²	45	113 Å²	113	29%	0.292	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-60.4	143.9	179.2	-21.9	32.2	0	0	0	111.8	N317 G318 R319 A342 K346	N317-P344 WeakPolarHBondContact O-CG 3.22Å; G318-P344 VanDerWaalsContact C-CG 3.49Å; R319-P344 HydrophobicContact CB-CG 3.83Å; A342-P344 WeakPolarHBondContact O-CD 3.49Å; P344-K346 PolarHBondContact O-N 3.37Å
345	D	59.1	Low	60.7	Low	140 Å²	140	115.9 Å²	115.9	75%	0.749	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-61.1	135.2	174.8	-94.6	-35.9	0	0	0	111.1	K347 T348	D345-K347 PolarHBondContact O-N 3.39Å; D345-T348 PolarHBondContact O-N 3.38Å
346	K	51.6	Low	59.1	Low	199 Å²	199	119.4 Å²	119.4	87%	0.865	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-57	-13.1	-174.2	-74.3	-174.5	175.6	-178.3	0	114.9	P344 T348	P344-K346 PolarHBondContact O-N 3.37Å; K346-T348 VanDerWaalsContact C-N 3.3Å; K346-T348 PolarHBondContact O-N 3.05Å
347	K	48.8	Very low	57.6	Low	206 Å²	206	122.9 Å²	122.9	90%	0.896	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-74	-16	-178.3	-71.9	-173.5	177.3	-179.8	0	114.1	D345	D345-K347 PolarHBondContact O-N 3.39Å
348	T	44.9	Very low	56.3	Low	123 Å²	123	122.2 Å²	122.2	76%	0.755	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-98.9	1	-175	-32.5	0	0	0	0	113.7	D345 K346	D345-T348 PolarHBondContact O-N 3.38Å; K346-T348 VanDerWaalsContact C-N 3.3Å; K346-T348 PolarHBondContact O-N 3.05Å
349	Y	41.1	Very low	55.1	Low	123 Å²	123	120.9 Å²	120.9	48%	0.482	62%	0.62	S	S	.	*			trans	-91.8	111.1	-175.8	-174.2	-111	0	0	0	112.5	P316 N317 P351	P316-Y349 WeakPolarHBondContact O-CE2 3.42Å; N317-Y349 HydrophobicContact CB-CD2 4.38Å; N317-Y349 HydrophobicContact CB-CE2 4.38Å; Y349-P351 HydrophobicContact CE1-CB 3.74Å; Y349-P351 HydrophobicContact CE1-CG 4.14Å
350	Q	42.3	Very low	54	Low	175 Å²	175	119.8 Å²	119.8	82%	0.818	63%	0.628	S	S	*	*			trans	-106.7	113.9	159.8	-70.3	-170.5	6.1	0	0	108.5	K352	Q350-K352 PolarHBondContact O-N 3.5Å
351	P	39.7	Very low	53	Low	89 Å²	89	120.7 Å²	120.7	58%	0.578	63%	0.627	S	S	*	*			trans	-64.7	108.8	177.7	23.5	-29.5	0	0	0	109.8	Y349	Y349-P351 HydrophobicContact CE1-CB 3.74Å; Y349-P351 HydrophobicContact CE1-CG 4.14Å
352	K	44.1	Very low	51.9	Low	186 Å²	186	122.5 Å²	122.5	81%	0.809	64%	0.639	S	S	*	*			trans	-77.4	117.8	159.1	-76	-174.4	175.6	-178.7	0	107.1	Q350	Q350-K352 PolarHBondContact O-N 3.5Å
353	H	44.6	Very low	50.9	Low	166 Å²	166	122.9 Å²	122.9	77%	0.769	64%	0.642	S	S	*	*			trans	89.2	116.1	174.6	-57.8	-82.1	0	0	0	117.2	C355	H353-C355 VanDerWaalsContact C-N 3.31Å
354	Q	41.2	Very low	49.8	Very low	203 Å²	203	127.1 Å²	127.1	95%	0.949	65%	0.651	S	S	*	*			trans	-84.9	10.1	171.9	-87.9	177.5	-5.6	0	0	113.6	D356	Q354-D356 PolarHBondContact O-N 3.5Å
355	C	45.8	Very low	48.8	Very low	73 Å²	73	128.4 Å²	128.4	49%	0.493	66%	0.658	S	S	.	*			trans	-100.8	83.1	-167.7	-59.4	0	0	0	0	112.1	H353	H353-C355 VanDerWaalsContact C-N 3.31Å
356	D	49.3	Very low	48.3	Very low	113 Å²	113	133.5 Å²	133.5	60%	0.604	67%	0.667	S	S	*	*			trans	-151.3	77.7	161.7	-112.8	-22.3	0	0	0	110.2	Q354 L358 G359	Q354-D356 PolarHBondContact O-N 3.5Å; D356-L358 PolarHBondContact O-N 2.84Å; D356-G359 PolarHBondContact O-N 3.3Å
357	E	53.3	Low	48.2	Very low	154 Å²	154	126.7 Å²	126.7	72%	0.72	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-22.5	176	-78.2	-178.9	150.2	0	0	113.2	G359 K754	E357-G359 PolarHBondContact O-N 2.99Å; E357-G359 VanDerWaalsContact O-N 3.1Å; E357-K754 IonicContact OE2-NZ 3.2Å; E357-K754 PolarHBondContact OE2-NZ 3.23Å
358	L	54	Low	48.4	Very low	34 Å²	34	120 Å²	120	18%	0.178	62%	0.621	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	1.1	-179.6	-68.6	174	0	0	0	113.5	D356	D356-L358 PolarHBondContact O-N 2.84Å
359	G	53.3	Low	49.1	Very low	27 Å²	27	120.1 Å²	120.1	28%	0.278	61%	0.613	S	S	.	*			trans	72	173.1	-176.5	0	0	0	0	0	113.5	D356 E357	D356-G359 PolarHBondContact O-N 3.3Å; E357-G359 PolarHBondContact O-N 2.99Å; E357-G359 VanDerWaalsContact O-N 3.1Å
360	P	55.3	Low	49.8	Very low	126 Å²	126	122.7 Å²	122.7	82%	0.818	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-64.5	146.3	179.8	26.9	-33.5	0	0	0	111.5
361	L	54	Low	50.8	Low	107 Å²	107	119.3 Å²	119.3	56%	0.56	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-55.6	140.8	169.6	-67	173.7	0	0	0	110.2	A363 P373	L361-A363 PolarHBondContact O-N 3.43Å; L361-P373 HydrophobicContact CD2-CG 3.91Å
362	P	55.3	Low	52.1	Low	64 Å²	64	116.4 Å²	116.4	42%	0.416	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-56.7	122.8	179.8	17.5	-27.9	0	0	0	111.4	Y364 P373	P362-Y364 PolarHBondContact O-N 3.06Å; P362-P373 HydrophobicContact CG-CB 4Å; P362-P373 HydrophobicContact CG-CG 3.79Å
363	A	53.3	Low	53.3	Low	94 Å²	94	109.4 Å²	109.4	78%	0.777	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-4.3	-170.7	0	0	0	0	0	115.5	L361	L361-A363 PolarHBondContact O-N 3.43Å
364	Y	47.3	Very low	54.7	Low	222 Å²	222	102.4 Å²	102.4	87%	0.871	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.4	-170.6	-68.9	-75.4	0	0	0	114.5	P362 R366	P362-Y364 PolarHBondContact O-N 3.06Å; Y364-R366 PolarHBondContact O-N 2.86Å
365	T	46.8	Very low	56.1	Low	72 Å²	72	93.5 Å²	93.5	44%	0.442	48%	0.484	S	S	.	.			trans	-89.7	96.6	174.3	57.4	0	0	0	0	109.8	S367	T365-S367 CarbonylContact C-O 3.58Å; T365-S367 VanDerWaalsContact CB-O 3.3Å; T365-S367 WeakPolarHBondContact CB-O 3.44Å; T365-S367 PolarHBondContact O-N 3.38Å; T365-S367 PolarHBondContact OG1-O 3.15Å
366	R	48.4	Very low	57.3	Low	247 Å²	247	96.3 Å²	96.3	93%	0.932	49%	0.485	S	S	*	.	S	Bend	trans	-65.3	-12.2	171.9	-67.6	-178.5	-179.6	-179.8	0.6	112.9	Y364	Y364-R366 PolarHBondContact O-N 2.86Å
367	S	48.9	Very low	58.2	Low	56 Å²	56	93.9 Å²	93.9	39%	0.392	47%	0.473	S	S	.	.	S	Bend	trans	-105.2	141.3	167.5	55.6	0	0	0	0	110.1	T365	T365-S367 CarbonylContact C-O 3.58Å; T365-S367 VanDerWaalsContact CB-O 3.3Å; T365-S367 WeakPolarHBondContact CB-O 3.44Å; T365-S367 PolarHBondContact O-N 3.38Å; T365-S367 PolarHBondContact OG1-O 3.15Å
368	T	54.5	Low	58.8	Low	65 Å²	65	90.1 Å²	90.1	40%	0.399	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-84	129.4	170	127.8	0	0	0	0	108.1	T330	T330-T368 WeakPolarHBondContact CB-OG1 3.35Å; T330-T368 WeakPolarHBondContact CG2-OG1 3.23Å; T330-T368 WeakPolarHBondContact OG1-CB 3.34Å; T330-T368 PolarHBondContact OG1-OG1 3.34Å
369	Q	58.3	Low	59.4	Low	127 Å²	127	97 Å²	97	59%	0.593	49%	0.492	S	S	*	.			trans	-110.3	154.2	175	-60.4	-171.5	13.7	0	0	110.6	E371	Q369-E371 VanDerWaalsContact C-N 3.27Å; Q369-E371 PolarHBondContact O-N 3.47Å
370	W	56.4	Low	60.1	Low	177 Å²	177	98 Å²	98	67%	0.67	49%	0.491	S	S	*	.	S	Bend	trans	-69.1	-26	177.5	-81.7	86.8	0	0	0	113.3	K328	K328-W370 PolarHBondContact O-NE1 2.84Å
371	E	63.1	Low	60.5	Low	104 Å²	104	92 Å²	92	49%	0.486	45%	0.452	S	S	.	.	S	Bend	trans	-94.3	141.5	-178.9	-67.5	-171.8	-180	0	0	111.7	Q369 P373 Y376	Q369-E371 VanDerWaalsContact C-N 3.27Å; Q369-E371 PolarHBondContact O-N 3.47Å; E371-P373 WeakPolarHBondContact O-CD 3.09Å; E371-Y376 PolarHBondContact OE2-OH 3.4Å
372	D	67	Low	60.9	Low	27 Å²	27	87.5 Å²	87.5	14%	0.144	43%	0.432	C	S	.	.			trans	-68.3	118	175.8	-176.3	-22.7	0	0	0	109.7	R374 F375	D372-R374 PolarHBondContact O-N 3.14Å; D372-R374 VanDerWaalsContact OD1-CB 3.23Å; D372-R374 WeakPolarHBondContact OD1-CB 3.4Å; D372-R374 VanDerWaalsContact OD1-CG 3.3Å; D372-R374 WeakPolarHBondContact OD1-CG 3.5Å; D372-R374 IonicContact OD1-CZ 3.74Å; D372-R374 PolarHBondContact OD1-N 3.39Å; D372-R374 IonicContact OD1-NE 2.84Å; D372-R374 PolarHBondContact OD1-NE 2.77Å; D372-R374 IonicContact OD1-NH2 2.83Å; D372-R374 IonicContact OD2-CZ 3.59Å; D372-R374 VanDerWaalsContact OD2-CZ 3.22Å; D372-R374 IonicContact OD2-NE 3.75Å; D372-R374 PolarHBondContact OD2-NE 3.02Å; D372-R374 IonicContact OD2-NH2 3.46Å; D372-R374 PolarHBondContact OD2-NH2 3.49Å; D372-F375 HydrophobicContact CB-CD2 3.82Å; D372-F375 HydrophobicContact CB-CE2 3.91Å; D372-F375 WeakPolarHBondContact O-CD2 3.3Å; D372-F375 PolarHBondContact O-N 3.12Å
373	P	68.4	Low	61.3	Low	39 Å²	39	87.3 Å²	87.3	25%	0.253	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-62.3	-17.6	-176.3	26.1	-35.4	0	0	0	113	L361 P362 E371 F375 Y376	L361-P373 HydrophobicContact CD2-CG 3.91Å; P362-P373 HydrophobicContact CG-CB 4Å; P362-P373 HydrophobicContact CG-CG 3.79Å; E371-P373 WeakPolarHBondContact O-CD 3.09Å; P373-F375 PolarHBondContact O-N 3.44Å; P373-Y376 WeakPolarHBondContact O-CB 3.38Å; P373-Y376 PolarHBondContact O-N 3.16Å
374	R	74.6	Confident	61.2	Low	19 Å²	19	86.7 Å²	86.7	7%	0.072	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-66.3	-24.2	179.7	-64	174.4	-70.9	-153.7	11	112.9	D372 Y376 N377 I380	D372-R374 PolarHBondContact O-N 3.14Å; D372-R374 VanDerWaalsContact OD1-CB 3.23Å; D372-R374 WeakPolarHBondContact OD1-CB 3.4Å; D372-R374 VanDerWaalsContact OD1-CG 3.3Å; D372-R374 WeakPolarHBondContact OD1-CG 3.5Å; D372-R374 IonicContact OD1-CZ 3.74Å; D372-R374 PolarHBondContact OD1-N 3.39Å; D372-R374 IonicContact OD1-NE 2.84Å; D372-R374 PolarHBondContact OD1-NE 2.77Å; D372-R374 IonicContact OD1-NH2 2.83Å; D372-R374 IonicContact OD2-CZ 3.59Å; D372-R374 VanDerWaalsContact OD2-CZ 3.22Å; D372-R374 IonicContact OD2-NE 3.75Å; D372-R374 PolarHBondContact OD2-NE 3.02Å; D372-R374 IonicContact OD2-NH2 3.46Å; D372-R374 PolarHBondContact OD2-NH2 3.49Å; R374-Y376 PolarHBondContact O-N 3.16Å; R374-N377 PolarHBondContact O-N 3.22Å; R374-I380 HydrophobicContact CB-CD1 4.27Å; R374-I380 HydrophobicContact CB-CG2 4.46Å; R374-I380 HydrophobicContact CG-CD1 4.1Å
375	F	71	Confident	61.5	Low	17 Å²	17	78 Å²	78	8%	0.075	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-62	-22.5	170.7	-74.8	-75.4	0	0	0	112.9	D372 P373 V656 K657 K660 W680 L684	D372-F375 HydrophobicContact CB-CD2 3.82Å; D372-F375 HydrophobicContact CB-CE2 3.91Å; D372-F375 WeakPolarHBondContact O-CD2 3.3Å; D372-F375 PolarHBondContact O-N 3.12Å; P373-F375 PolarHBondContact O-N 3.44Å; F375-V656 HydrophobicContact CE1-CG1 4.13Å; F375-K657 HydrophobicContact CB-CG 4.41Å; F375-K657 HydrophobicContact CD1-CB 4.22Å; F375-K660 HydrophobicContact CD1-CD 4.29Å; F375-K660 HydrophobicContact CE1-CB 4.41Å; F375-K660 HydrophobicContact CE1-CD 3.52Å; F375-K660 HydrophobicContact CE2-CD 4.18Å; F375-K660 HydrophobicContact CZ-CD 3.47Å; F375-K660 VanDerWaalsContact CZ-CD 3.47Å; F375-W680 HydrophobicContact CZ-CB 4.06Å; F375-L684 HydrophobicContact CD1-CD1 4.2Å; F375-L684 HydrophobicContact CD1-CD2 4.19Å; F375-L684 HydrophobicContact CD2-CD1 4.11Å; F375-L684 HydrophobicContact CE1-CD1 3.78Å; F375-L684 HydrophobicContact CE1-CD2 4.11Å; F375-L684 HydrophobicContact CE1-CG 4.03Å; F375-L684 HydrophobicContact CE2-CD1 3.66Å; F375-L684 HydrophobicContact CG-CD1 4.34Å; F375-L684 HydrophobicContact CZ-CD1 3.47Å; F375-L684 VanDerWaalsContact CZ-CD1 3.47Å; F375-L684 HydrophobicContact CZ-CG 4.11Å
376	Y	70.2	Confident	61.7	Low	131 Å²	131	80 Å²	80	51%	0.514	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-94	-1.4	177.9	-58.7	-84	0	0	0	112.9	E371 P373 R374 P378	E371-Y376 PolarHBondContact OE2-OH 3.4Å; P373-Y376 WeakPolarHBondContact O-CB 3.38Å; P373-Y376 PolarHBondContact O-N 3.16Å; R374-Y376 PolarHBondContact O-N 3.16Å; Y376-P378 WeakPolarHBondContact O-CD 3.31Å
377	N	69.8	Low	61.5	Low	63 Å²	63	75.1 Å²	75.1	34%	0.337	39%	0.392	S	S	.	.			trans	-95.8	108.1	175.8	-175.2	-6.8	0	0	0	109.9	R374 Q379 I380 A381	R374-N377 PolarHBondContact O-N 3.22Å; N377-Q379 PolarHBondContact O-N 2.96Å; N377-Q379 VanDerWaalsContact O-N 3.12Å; N377-Q379 WeakPolarHBondContact OD1-CB 3.38Å; N377-Q379 PolarHBondContact OD1-N 3.34Å; N377-Q379 VanDerWaalsContact OD1-N 3.11Å; N377-I380 HydrophobicContact CB-CB 4.44Å; N377-I380 HydrophobicContact CB-CD1 4.25Å; N377-I380 HydrophobicContact CB-CG1 4.36Å; N377-I380 WeakPolarHBondContact ND2-CD1 3.26Å; N377-I380 PolarHBondContact O-N 2.85Å; N377-A381 PolarHBondContact O-N 3.48Å
378	P	64.7	Low	61.9	Low	74 Å²	74	74.6 Å²	74.6	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-25.5	-177.7	-23.6	35	0	0	0	114.1	Y376 I380 G382	Y376-P378 WeakPolarHBondContact O-CD 3.31Å; P378-I380 VanDerWaalsContact C-N 3.25Å; P378-I380 PolarHBondContact O-N 3.23Å; P378-G382 WeakPolarHBondContact CA-O 3.06Å; P378-G382 CarbonylContact O-C 3.58Å; P378-G382 WeakPolarHBondContact O-CA 3.07Å; P378-G382 PolarHBondContact O-N 2.58Å
379	Q	67.3	Low	61.9	Low	178 Å²	178	79.5 Å²	79.5	83%	0.832	40%	0.4	S	S	*	.	H	α-helix	trans	-71.1	-24	178.2	-60.9	-62.9	-14.1	0	0	112.4	N377	N377-Q379 PolarHBondContact O-N 2.96Å; N377-Q379 VanDerWaalsContact O-N 3.12Å; N377-Q379 WeakPolarHBondContact OD1-CB 3.38Å; N377-Q379 PolarHBondContact OD1-N 3.34Å; N377-Q379 VanDerWaalsContact OD1-N 3.11Å
380	I	66.8	Low	62.4	Low	48 Å²	48	77.7 Å²	77.7	25%	0.246	39%	0.394	C	S	.	.	H	α-helix	trans	-101.8	-55.8	179.6	-57.2	174.3	0	0	0	109.3	R374 N377 P378 G382 L684 R691	R374-I380 HydrophobicContact CB-CD1 4.27Å; R374-I380 HydrophobicContact CB-CG2 4.46Å; R374-I380 HydrophobicContact CG-CD1 4.1Å; N377-I380 HydrophobicContact CB-CB 4.44Å; N377-I380 HydrophobicContact CB-CD1 4.25Å; N377-I380 HydrophobicContact CB-CG1 4.36Å; N377-I380 WeakPolarHBondContact ND2-CD1 3.26Å; N377-I380 PolarHBondContact O-N 2.85Å; P378-I380 VanDerWaalsContact C-N 3.25Å; P378-I380 PolarHBondContact O-N 3.23Å; I380-G382 VanDerWaalsContact C-N 3.3Å; I380-G382 PolarHBondContact O-N 2.94Å; I380-L684 HydrophobicContact CG2-CD2 4.26Å; I380-R691 VanDerWaalsContact O-CZ 3.24Å; I380-R691 PolarHBondContact O-NH1 3.29Å; I380-R691 PolarHBondContact O-NH2 2.91Å
381	A	64.5	Low	62.9	Low	1 Å²	1	69.6 Å²	69.6	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-76.9	-15.6	-174.9	0	0	0	0	0	113.8	N377 D655 V656 L684	N377-A381 PolarHBondContact O-N 3.48Å; A381-D655 CarbonylContact O-C 3.51Å; A381-D655 WeakPolarHBondContact O-CA 3.35Å; A381-V656 PolarHBondContact O-N 3.12Å; A381-L684 HydrophobicContact CB-CD2 4.13Å
382	G	62.1	Low	63.3	Low	13 Å²	13	66.7 Å²	66.7	13%	0.134	35%	0.349	C	S	.	.			trans	95.9	155.7	-168.8	0	0	0	0	0	111.7	P378 I380	P378-G382 WeakPolarHBondContact CA-O 3.06Å; P378-G382 CarbonylContact O-C 3.58Å; P378-G382 WeakPolarHBondContact O-CA 3.07Å; P378-G382 PolarHBondContact O-N 2.58Å; I380-G382 VanDerWaalsContact C-N 3.3Å; I380-G382 PolarHBondContact O-N 2.94Å
383	P	64.3	Low	63.9	Low	60 Å²	60	72.8 Å²	72.8	39%	0.39	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-67	140.9	176.1	28.9	-33.3	0	0	0	110.8	V385 K653	P383-V385 PolarHBondContact O-N 2.86Å; P383-K653 HydrophobicContact CG-CB 4.44Å; P383-K653 HydrophobicContact CG-CD 4.11Å
384	A	50.5	Low	64.6	Low	80 Å²	80	73 Å²	73	66%	0.661	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-58.7	134.3	170.5	0	0	0	0	0	109.9	P386 D655	A384-P386 VanDerWaalsContact O-CD 3.31Å; A384-P386 WeakPolarHBondContact O-CD 3.32Å; A384-D655 WeakPolarHBondContact CA-OD2 3.29Å
385	V	54.2	Low	64.9	Low	40 Å²	40	74.2 Å²	74.2	24%	0.242	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-73	118	179.8	-173.9	0	0	0	0	109.5	P383 Y387 L651 D655 M706	P383-V385 PolarHBondContact O-N 2.86Å; V385-Y387 PolarHBondContact O-N 2.9Å; V385-Y387 VanDerWaalsContact O-N 3.17Å; V385-L651 HydrophobicContact CB-CD1 4.43Å; V385-L651 HydrophobicContact CG1-CD1 3.7Å; V385-L651 HydrophobicContact CG2-CD1 3.78Å; V385-D655 HydrophobicContact CG2-CB 4.25Å; V385-M706 WeakPolarHBondContact CG1-O 3.47Å
386	P	50.4	Low	65.6	Low	113 Å²	113	78.2 Å²	78.2	73%	0.734	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-66.8	118.1	178.6	24.2	-29.9	0	0	0	110.2	A384 S388	A384-P386 VanDerWaalsContact O-CD 3.31Å; A384-P386 WeakPolarHBondContact O-CD 3.32Å; P386-S388 PolarHBondContact O-N 3.33Å
387	Y	45	Very low	66.6	Low	145 Å²	145	77.2 Å²	77.2	57%	0.569	39%	0.387	S	S	*	.			trans	-73.2	95.7	178	-176.8	-111.5	0	0	0	111	V385 R389 K392	V385-Y387 PolarHBondContact O-N 2.9Å; V385-Y387 VanDerWaalsContact O-N 3.17Å; Y387-R389 HydrophobicContact CD1-CG 3.72Å; Y387-R389 HydrophobicContact CE1-CG 3.41Å; Y387-R389 VanDerWaalsContact CE1-CG 3.41Å; Y387-R389 PolarHBondContact O-N 3.45Å; Y387-K392 HydrophobicContact CE2-CD 4.18Å
388	S	57.3	Low	67.6	Low	45 Å²	45	74.2 Å²	74.2	32%	0.315	37%	0.371	S	S	.	.			trans	-79	100.9	170.2	-179.1	0	0	0	0	110.2	P386 D390 Y391 K392	P386-S388 PolarHBondContact O-N 3.33Å; S388-D390 PolarHBondContact O-N 3.04Å; S388-Y391 PolarHBondContact O-N 3.37Å; S388-Y391 PolarHBondContact OG-N 2.96Å; S388-K392 PolarHBondContact O-N 3.02Å
389	R	53.8	Low	68.8	Low	169 Å²	169	74.9 Å²	74.9	64%	0.638	36%	0.364	S	S	*	.	H	α-helix	trans	-57.3	-29.9	172.6	-72	-177.9	72	-176.6	3.8	112.7	Y387 R393	Y387-R389 HydrophobicContact CD1-CG 3.72Å; Y387-R389 HydrophobicContact CE1-CG 3.41Å; Y387-R389 VanDerWaalsContact CE1-CG 3.41Å; Y387-R389 PolarHBondContact O-N 3.45Å; R389-R393 WeakPolarHBondContact O-CG 3.25Å
390	D	69	Low	69.9	Low	88 Å²	88	70.2 Å²	70.2	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-73	-45.1	-179	-162.3	53	0	0	0	110.9	S388 K392 R393 K394	S388-D390 PolarHBondContact O-N 3.04Å; D390-K392 PolarHBondContact O-N 3.5Å; D390-R393 PolarHBondContact O-N 2.72Å; D390-K394 WeakPolarHBondContact O-CG 3.17Å; D390-K394 PolarHBondContact O-N 3.36Å; D390-K394 WeakPolarHBondContact OD2-CE 3.23Å; D390-K394 IonicContact OD2-NZ 3.53Å; D390-K394 PolarHBondContact OD2-NZ 2.63Å
391	Y	66.7	Low	71.2	Confident	8 Å²	8	72.6 Å²	72.6	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-61.4	-45.6	176.8	176.7	-99.8	0	0	0	112.6	S388 R393 K394 Y395 F639 E643 L647 M706	S388-Y391 PolarHBondContact O-N 3.37Å; S388-Y391 PolarHBondContact OG-N 2.96Å; Y391-R393 VanDerWaalsContact C-N 3.25Å; Y391-R393 PolarHBondContact O-N 3.12Å; Y391-K394 CarbonylContact O-C 3.56Å; Y391-K394 WeakPolarHBondContact O-CA 3.36Å; Y391-K394 WeakPolarHBondContact O-CB 3.36Å; Y391-K394 PolarHBondContact O-N 3.49Å; Y391-Y395 PolarHBondContact O-N 3.18Å; Y391-F639 AromaticContact CD2-CD1 3.91Å; Y391-F639 HydrophobicContact CD2-CD1 3.91Å; Y391-F639 AromaticContact CD2-CE1 3.85Å; Y391-F639 HydrophobicContact CD2-CE1 3.85Å; Y391-F639 AromaticContact CE2-CD1 3.72Å; Y391-F639 HydrophobicContact CE2-CD1 3.72Å; Y391-F639 AromaticContact CE2-CE1 3.51Å; Y391-F639 HydrophobicContact CE2-CE1 3.51Å; Y391-E643 HydrophobicContact CD2-CB 3.82Å; Y391-E643 HydrophobicContact CD2-CG 3.8Å; Y391-E643 HydrophobicContact CE2-CB 4.04Å; Y391-L647 WeakPolarHBondContact OH-CA 3.5Å; Y391-L647 WeakPolarHBondContact OH-CD1 3.42Å; Y391-M706 HydrophobicContact CD1-CB 4.36Å; Y391-M706 HydrophobicContact CD1-CE 3.38Å; Y391-M706 HydrophobicContact CD1-CG 4.3Å; Y391-M706 HydrophobicContact CD1-SD 3.15Å; Y391-M706 WeakPolarHBondContact CD1-SD 3.26Å; Y391-M706 HydrophobicContact CD2-CE 3.25Å; Y391-M706 HydrophobicContact CD2-SD 4.11Å; Y391-M706 HydrophobicContact CE1-CB 3.86Å; Y391-M706 HydrophobicContact CE1-CE 3.43Å; Y391-M706 VanDerWaalsContact CE1-CE 3.43Å; Y391-M706 HydrophobicContact CE1-CG 4.24Å; Y391-M706 HydrophobicContact CE1-SD 3.55Å; Y391-M706 VanDerWaalsContact CE1-SD 3.55Å; Y391-M706 HydrophobicContact CE2-CE 3.29Å; Y391-M706 HydrophobicContact CE2-SD 4.41Å; Y391-M706 HydrophobicContact CG-CE 3.25Å; Y391-M706 HydrophobicContact CG-SD 3.43Å
392	K	70.8	Confident	72.5	Confident	43 Å²	43	73.3 Å²	73.3	19%	0.187	37%	0.369	C	S	.	.	H	α-helix	trans	-56.8	-42.1	-179.6	-180	164.9	177	156	0	111.6	Y387 S388 D390 Y395 E396 E711	Y387-K392 HydrophobicContact CE2-CD 4.18Å; S388-K392 PolarHBondContact O-N 3.02Å; D390-K392 PolarHBondContact O-N 3.5Å; K392-Y395 PolarHBondContact O-N 3.24Å; K392-E396 WeakPolarHBondContact CE-OE1 3.43Å; K392-E396 WeakPolarHBondContact CG-OE1 3.05Å; K392-E396 WeakPolarHBondContact O-CB 3.34Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 3.18Å; K392-E711 IonicContact NZ-OE1 3.84Å; K392-E711 PolarHBondContact NZ-OE1 2.93Å
393	R	79.5	Confident	73.5	Confident	155 Å²	155	75 Å²	75	59%	0.585	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-43.3	174.8	-70.9	177.2	179.6	177.9	-1.7	112.2	R389 D390 Y391 Y395 E396 Y397	R389-R393 WeakPolarHBondContact O-CG 3.25Å; D390-R393 PolarHBondContact O-N 2.72Å; Y391-R393 VanDerWaalsContact C-N 3.25Å; Y391-R393 PolarHBondContact O-N 3.12Å; R393-Y395 VanDerWaalsContact C-N 3.34Å; R393-E396 PolarHBondContact O-N 3.09Å; R393-Y397 VanDerWaalsContact O-CB 3.29Å; R393-Y397 WeakPolarHBondContact O-CB 3.46Å; R393-Y397 PolarHBondContact O-N 3.07Å
394	K	84.1	Confident	74.6	Confident	42 Å²	42	80.5 Å²	80.5	18%	0.183	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-43	175.1	-69.5	170.3	-177.9	164.5	0	111.5	D390 Y391 Y397 F398 I638 F639 E643	D390-K394 WeakPolarHBondContact O-CG 3.17Å; D390-K394 PolarHBondContact O-N 3.36Å; D390-K394 WeakPolarHBondContact OD2-CE 3.23Å; D390-K394 IonicContact OD2-NZ 3.53Å; D390-K394 PolarHBondContact OD2-NZ 2.63Å; Y391-K394 CarbonylContact O-C 3.56Å; Y391-K394 WeakPolarHBondContact O-CA 3.36Å; Y391-K394 WeakPolarHBondContact O-CB 3.36Å; Y391-K394 PolarHBondContact O-N 3.49Å; K394-Y397 PolarHBondContact O-N 2.63Å; K394-F398 VanDerWaalsContact O-CB 3.24Å; K394-F398 WeakPolarHBondContact O-CB 3.41Å; K394-F398 PolarHBondContact O-N 2.72Å; K394-I638 HydrophobicContact CB-CD1 4.09Å; K394-I638 HydrophobicContact CB-CG1 4.29Å; K394-I638 WeakPolarHBondContact CD-O 3.3Å; K394-I638 VanDerWaalsContact CE-O 3.25Å; K394-I638 WeakPolarHBondContact CE-O 3.33Å; K394-I638 WeakPolarHBondContact O-CD1 3.44Å; K394-F639 HydrophobicContact CB-CD1 4.1Å; K394-F639 HydrophobicContact CB-CE1 3.63Å; K394-F639 HydrophobicContact CB-CZ 4.26Å; K394-F639 HydrophobicContact CD-CD1 4.26Å; K394-E643 IonicContact NZ-OE1 2.62Å; K394-E643 PolarHBondContact NZ-OE1 3.09Å; K394-E643 IonicContact NZ-OE2 2.67Å; K394-E643 PolarHBondContact NZ-OE2 3.11Å
395	Y	81.8	Confident	76.2	Confident	45 Å²	45	78.9 Å²	78.9	18%	0.176	39%	0.387	C	S	.	.	H	α-helix	trans	-64.7	-46	178	179.4	-97.3	0	0	0	112.4	Y391 K392 R393 Y397 F398 R399 L647	Y391-Y395 PolarHBondContact O-N 3.18Å; K392-Y395 PolarHBondContact O-N 3.24Å; R393-Y395 VanDerWaalsContact C-N 3.34Å; Y395-Y397 VanDerWaalsContact C-N 3.34Å; Y395-F398 WeakPolarHBondContact O-CB 3.31Å; Y395-F398 PolarHBondContact O-N 3.36Å; Y395-R399 HydrophobicContact CD1-CG 4.14Å; Y395-R399 HydrophobicContact CD2-CG 4.44Å; Y395-R399 HydrophobicContact CE1-CG 3.67Å; Y395-R399 HydrophobicContact CE2-CG 4.01Å; Y395-R399 WeakPolarHBondContact O-CB 3.47Å; Y395-R399 VanDerWaalsContact O-CG 3.3Å; Y395-R399 WeakPolarHBondContact O-CG 3.43Å; Y395-R399 PolarHBondContact O-N 3.18Å; Y395-L647 HydrophobicContact CD2-CD1 3.56Å; Y395-L647 HydrophobicContact CE2-CD1 3.73Å
396	E	84.6	Confident	77.5	Confident	102 Å²	102	84.1 Å²	84.1	48%	0.477	41%	0.409	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175.2	-73.4	169.1	-178	0	0	111.1	K392 R393 R399 A400	K392-E396 WeakPolarHBondContact CE-OE1 3.43Å; K392-E396 WeakPolarHBondContact CG-OE1 3.05Å; K392-E396 WeakPolarHBondContact O-CB 3.34Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 3.18Å; R393-E396 PolarHBondContact O-N 3.09Å; E396-R399 PolarHBondContact O-N 3.49Å; E396-A400 VanDerWaalsContact O-CB 3.25Å; E396-A400 WeakPolarHBondContact O-CB 3.25Å; E396-A400 PolarHBondContact O-N 2.96Å
397	Y	90.8	Very high	79.1	Confident	109 Å²	109	86.4 Å²	86.4	43%	0.427	42%	0.415	S	S	.	.	H	α-helix	trans	-59.4	-50.3	174.2	178.5	-90.5	0	0	0	111.3	R393 K394 Y395 R399 A400 H401 L635 I638	R393-Y397 VanDerWaalsContact O-CB 3.29Å; R393-Y397 WeakPolarHBondContact O-CB 3.46Å; R393-Y397 PolarHBondContact O-N 3.07Å; K394-Y397 PolarHBondContact O-N 2.63Å; Y395-Y397 VanDerWaalsContact C-N 3.34Å; Y397-R399 PolarHBondContact O-N 2.77Å; Y397-A400 PolarHBondContact O-N 3.25Å; Y397-H401 AromaticContact CD2-CE1 3.34Å; Y397-H401 WeakPolarHBondContact CD2-CE1 3.14Å; Y397-H401 AromaticContact CD2-ND1 3.63Å; Y397-H401 AromaticContact CE2-CE1 3.08Å; Y397-H401 WeakPolarHBondContact CE2-CE1 3.3Å; Y397-H401 AromaticContact CE2-ND1 3.58Å; Y397-H401 AromaticContact CE2-NE2 3.53Å; Y397-H401 AromaticContact CG-ND1 3.87Å; Y397-H401 AromaticContact CZ-CE1 3.61Å; Y397-H401 AromaticContact CZ-ND1 3.77Å; Y397-H401 AromaticContact CZ-NE2 3.79Å; Y397-H401 PolarHBondContact O-N 2.83Å; Y397-H401 VanDerWaalsContact O-N 3.11Å; Y397-H401 PolarHBondContact O-ND1 2.9Å; Y397-L635 HydrophobicContact CD1-CD2 4.49Å; Y397-L635 HydrophobicContact CE1-CD2 3.85Å; Y397-I638 HydrophobicContact CD1-CD1 3.88Å
398	F	92.3	Very high	81.1	Confident	1 Å²	1	81.1 Å²	81.1	0%	0.004	40%	0.397	C	S	.	.	H	α-helix	trans	-52.2	-55.8	176.3	170.6	-100.1	0	0	0	111	K394 Y395 A400 H401 L402 L517 I631 L635 I638 F639 L647	K394-F398 VanDerWaalsContact O-CB 3.24Å; K394-F398 WeakPolarHBondContact O-CB 3.41Å; K394-F398 PolarHBondContact O-N 2.72Å; Y395-F398 WeakPolarHBondContact O-CB 3.31Å; Y395-F398 PolarHBondContact O-N 3.36Å; F398-A400 VanDerWaalsContact C-N 3.33Å; F398-A400 PolarHBondContact O-N 3.25Å; F398-H401 PolarHBondContact O-N 2.97Å; F398-H401 VanDerWaalsContact O-N 3.12Å; F398-L402 HydrophobicContact CD1-CD1 4.32Å; F398-L402 HydrophobicContact CE1-CD1 3.79Å; F398-L402 HydrophobicContact CE1-CD2 4.37Å; F398-L402 HydrophobicContact CE1-CG 4.31Å; F398-L402 HydrophobicContact CE2-CD2 4.07Å; F398-L402 HydrophobicContact CZ-CD1 4.12Å; F398-L402 HydrophobicContact CZ-CD2 3.93Å; F398-L402 HydrophobicContact CZ-CG 4.36Å; F398-L402 WeakPolarHBondContact O-CG 3.23Å; F398-L402 PolarHBondContact O-N 2.74Å; F398-L517 HydrophobicContact CZ-CB 4.35Å; F398-I631 HydrophobicContact CE2-CG2 3.6Å; F398-I631 HydrophobicContact CZ-CD1 4.06Å; F398-I631 HydrophobicContact CZ-CG2 4.1Å; F398-L635 HydrophobicContact CD2-CB 3.94Å; F398-L635 HydrophobicContact CE2-CB 4.26Å; F398-I638 HydrophobicContact CB-CD1 4.09Å; F398-F639 HydrophobicContact CB-CE2 4.03Å; F398-F639 HydrophobicContact CB-CZ 3.8Å; F398-F639 AromaticContact CD2-CE2 3.81Å; F398-F639 HydrophobicContact CD2-CE2 3.81Å; F398-F639 HydrophobicContact CD2-CZ 4.37Å; F398-F639 HydrophobicContact CE2-CE2 4.48Å; F398-F639 AromaticContact CG-CE2 3.97Å; F398-F639 HydrophobicContact CG-CE2 3.97Å; F398-F639 HydrophobicContact CG-CZ 4.07Å; F398-L647 HydrophobicContact CZ-CD2 4.45Å
399	R	89	Confident	82.5	Confident	88 Å²	88	82.4 Å²	82.4	33%	0.332	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-40.9	-179.5	-71.4	-74.7	-73.7	149.6	-0	112.5	Y395 E396 Y397 H401 L402 Y518	Y395-R399 HydrophobicContact CD1-CG 4.14Å; Y395-R399 HydrophobicContact CD2-CG 4.44Å; Y395-R399 HydrophobicContact CE1-CG 3.67Å; Y395-R399 HydrophobicContact CE2-CG 4.01Å; Y395-R399 WeakPolarHBondContact O-CB 3.47Å; Y395-R399 VanDerWaalsContact O-CG 3.3Å; Y395-R399 WeakPolarHBondContact O-CG 3.43Å; Y395-R399 PolarHBondContact O-N 3.18Å; E396-R399 PolarHBondContact O-N 3.49Å; Y397-R399 PolarHBondContact O-N 2.77Å; R399-H401 PolarHBondContact O-N 2.59Å; R399-L402 PolarHBondContact O-N 3.4Å; R399-Y518 PolarHBondContact NH1-O 2.92Å
400	A	90.9	Very high	84	Confident	80 Å²	80	79.5 Å²	79.5	66%	0.661	41%	0.41	S	S	*	.	H	α-helix	trans	-67.3	-24.9	179.4	0	0	0	0	0	113.3	E396 Y397 F398	E396-A400 VanDerWaalsContact O-CB 3.25Å; E396-A400 WeakPolarHBondContact O-CB 3.25Å; E396-A400 PolarHBondContact O-N 2.96Å; Y397-A400 PolarHBondContact O-N 3.25Å; F398-A400 VanDerWaalsContact C-N 3.33Å; F398-A400 PolarHBondContact O-N 3.25Å
401	H	92.9	Very high	84.9	Confident	98 Å²	98	78.8 Å²	78.8	45%	0.454	40%	0.403	S	S	.	.	H	α-helix	trans	-102.1	2.3	-178.1	-67.3	77.3	0	0	0	113.7	Y397 F398 R399 G403 L635	Y397-H401 AromaticContact CD2-CE1 3.34Å; Y397-H401 WeakPolarHBondContact CD2-CE1 3.14Å; Y397-H401 AromaticContact CD2-ND1 3.63Å; Y397-H401 AromaticContact CE2-CE1 3.08Å; Y397-H401 WeakPolarHBondContact CE2-CE1 3.3Å; Y397-H401 AromaticContact CE2-ND1 3.58Å; Y397-H401 AromaticContact CE2-NE2 3.53Å; Y397-H401 AromaticContact CG-ND1 3.87Å; Y397-H401 AromaticContact CZ-CE1 3.61Å; Y397-H401 AromaticContact CZ-ND1 3.77Å; Y397-H401 AromaticContact CZ-NE2 3.79Å; Y397-H401 PolarHBondContact O-N 2.83Å; Y397-H401 VanDerWaalsContact O-N 3.11Å; Y397-H401 PolarHBondContact O-ND1 2.9Å; F398-H401 PolarHBondContact O-N 2.97Å; F398-H401 VanDerWaalsContact O-N 3.12Å; R399-H401 PolarHBondContact O-N 2.59Å; H401-G403 PolarHBondContact O-N 3.13Å; H401-L635 HydrophobicContact CB-CD1 3.93Å; H401-L635 HydrophobicContact CB-CD2 3.76Å
402	L	91.5	Very high	86.1	Confident	15 Å²	15	79.9 Å²	79.9	8%	0.079	41%	0.408	C	S	.	.	S	Bend	trans	-70.4	123.7	169.1	-69.3	179	0	0	0	109.9	F398 R399 K404 Y518 I631 L635	F398-L402 HydrophobicContact CD1-CD1 4.32Å; F398-L402 HydrophobicContact CE1-CD1 3.79Å; F398-L402 HydrophobicContact CE1-CD2 4.37Å; F398-L402 HydrophobicContact CE1-CG 4.31Å; F398-L402 HydrophobicContact CE2-CD2 4.07Å; F398-L402 HydrophobicContact CZ-CD1 4.12Å; F398-L402 HydrophobicContact CZ-CD2 3.93Å; F398-L402 HydrophobicContact CZ-CG 4.36Å; F398-L402 WeakPolarHBondContact O-CG 3.23Å; F398-L402 PolarHBondContact O-N 2.74Å; R399-L402 PolarHBondContact O-N 3.4Å; L402-K404 PolarHBondContact O-N 2.86Å; L402-Y518 HydrophobicContact CB-CD2 4.2Å; L402-Y518 HydrophobicContact CB-CE2 3.92Å; L402-Y518 HydrophobicContact CD1-CD2 4.08Å; L402-Y518 HydrophobicContact CD1-CE2 4.49Å; L402-Y518 HydrophobicContact CD2-CD2 4.31Å; L402-Y518 HydrophobicContact CG-CD2 4.42Å; L402-I631 HydrophobicContact CD2-CD1 3.64Å; L402-L635 HydrophobicContact CD2-CD1 4.22Å
403	G	84.9	Confident	87	Confident	48 Å²	48	81.2 Å²	81.2	50%	0.495	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.9	133.4	179	0	0	0	0	0	111.7	H401 Y518	H401-G403 PolarHBondContact O-N 3.13Å; G403-Y518 WeakPolarHBondContact O-CE2 3.34Å; G403-Y518 PolarHBondContact O-OH 3.07Å
404	K	86	Confident	87.6	Confident	177 Å²	177	74 Å²	74	77%	0.77	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-80.2	143.5	175.2	-66.7	-179	-178.3	177.5	0	109.8	L402 E406	L402-K404 PolarHBondContact O-N 2.86Å; K404-E406 PolarHBondContact O-N 2.92Å
405	P	84.9	Confident	87.8	Confident	46 Å²	46	77.4 Å²	77.4	30%	0.299	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-62.6	131.1	174.9	23.7	-32.4	0	0	0	111	V408 D438 K441 T442 Y518	P405-V408 HydrophobicContact CB-CG2 3.47Å; P405-V408 VanDerWaalsContact CB-CG2 3.47Å; P405-D438 HydrophobicContact CB-CB 4.4Å; P405-K441 HydrophobicContact CB-CB 4.23Å; P405-K441 HydrophobicContact CG-CB 4.31Å; P405-T442 HydrophobicContact CB-CG2 4.14Å; P405-T442 HydrophobicContact CG-CG2 4.31Å; P405-Y518 VanDerWaalsContact CD-OH 3.26Å; P405-Y518 WeakPolarHBondContact CD-OH 3.49Å
406	E	81.1	Confident	88.3	Confident	149 Å²	149	75.3 Å²	75.3	70%	0.696	40%	0.398	S	S	*	.			trans	-116.8	141.2	176.4	-65.6	-174	173.8	0	0	110.5	K404 V408	K404-E406 PolarHBondContact O-N 2.92Å; E406-V408 VanDerWaalsContact C-N 3.29Å; E406-V408 PolarHBondContact O-N 2.95Å
407	N	83.8	Confident	88.6	Confident	162 Å²	162	75 Å²	75	87%	0.866	39%	0.393	S	S	*	.	S	Bend	trans	54.1	38.1	175.7	-59.8	-36.5	0	0	0	115.3
408	V	87.5	Confident	88.4	Confident	33 Å²	33	73.8 Å²	73.8	20%	0.2	39%	0.387	C	S	.	.	S	Bend	trans	-124.6	160.7	176.9	-69.2	0	0	0	0	111.3	P405 E406 D438 V439 T442	P405-V408 HydrophobicContact CB-CG2 3.47Å; P405-V408 VanDerWaalsContact CB-CG2 3.47Å; E406-V408 VanDerWaalsContact C-N 3.29Å; E406-V408 PolarHBondContact O-N 2.95Å; V408-D438 HydrophobicContact CG1-CB 3.92Å; V408-V439 HydrophobicContact CB-CG2 4.08Å; V408-V439 HydrophobicContact CG1-CG2 3.66Å; V408-T442 HydrophobicContact CB-CG2 4.11Å; V408-T442 HydrophobicContact CG2-CG2 3.37Å
409	P	87.2	Confident	88.1	Confident	72 Å²	72	74.8 Å²	74.8	47%	0.468	40%	0.398	S	S	.	.			trans	-54.7	160.7	173.4	-25.1	35.6	0	0	0	112.6	K411 T442	P409-K411 VanDerWaalsContact C-N 3.25Å; P409-K411 PolarHBondContact O-N 3.04Å; P409-T442 WeakPolarHBondContact O-CG2 3.15Å
410	S	85.4	Confident	88.1	Confident	108 Å²	108	72.4 Å²	72.4	76%	0.755	39%	0.391	S	S	*	.	S	Bend	trans	-70.7	-22.3	179.2	54.7	0	0	0	0	113.7	K443	S410-K443 PolarHBondContact O-N 3.1Å
411	K	88	Confident	88.1	Confident	73 Å²	73	68.9 Å²	68.9	32%	0.317	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.2	-178	64	169.9	-174.9	156.6	0	112.6	P409 D413 T442 K443 W445	P409-K411 VanDerWaalsContact C-N 3.25Å; P409-K411 PolarHBondContact O-N 3.04Å; K411-D413 WeakPolarHBondContact CD-OD1 3.42Å; K411-D413 WeakPolarHBondContact CE-OD1 3.41Å; K411-D413 VanDerWaalsContact CE-OD2 3.3Å; K411-D413 WeakPolarHBondContact CE-OD2 3.46Å; K411-D413 IonicContact NZ-OD1 2.67Å; K411-D413 PolarHBondContact NZ-OD1 2.82Å; K411-D413 IonicContact NZ-OD2 2.92Å; K411-T442 VanDerWaalsContact C-OG1 3.31Å; K411-K443 CarbonylContact C-O 3.27Å; K411-K443 WeakPolarHBondContact CA-O 3.01Å; K411-K443 HydrophobicContact CB-CB 4.32Å; K411-K443 WeakPolarHBondContact CB-O 3.48Å; K411-W445 HydrophobicContact CB-CB 4.38Å; K411-W445 HydrophobicContact CD-CB 4.01Å; K411-W445 HydrophobicContact CD-CD2 4.11Å; K411-W445 HydrophobicContact CD-CE3 4.16Å; K411-W445 HydrophobicContact CD-CG 4.05Å
412	F	91	Very high	88.1	Confident	31 Å²	31	64.3 Å²	64.3	14%	0.136	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	111.3	171.1	-178.1	-105.8	0	0	0	109.7	M414 I429 V432 V439 L440 T442 K443 L444 W445	F412-M414 HydrophobicContact CD1-CE 4.28Å; F412-M414 HydrophobicContact CD1-CG 3.75Å; F412-M414 HydrophobicContact CD1-SD 4.1Å; F412-M414 HydrophobicContact CE1-CE 4.32Å; F412-M414 HydrophobicContact CE1-CG 3.41Å; F412-M414 VanDerWaalsContact CE1-CG 3.41Å; F412-M414 HydrophobicContact CE1-SD 3.59Å; F412-M414 VanDerWaalsContact CE1-SD 3.59Å; F412-M414 HydrophobicContact CZ-CG 4.38Å; F412-I429 HydrophobicContact CE1-CD1 4.32Å; F412-V432 HydrophobicContact CE2-CG2 3.82Å; F412-V432 HydrophobicContact CZ-CG2 3.76Å; F412-V439 HydrophobicContact CB-CG1 4.17Å; F412-V439 HydrophobicContact CD2-CG1 3.53Å; F412-V439 HydrophobicContact CE2-CG1 4.34Å; F412-V439 HydrophobicContact CG-CG1 4.23Å; F412-L440 HydrophobicContact CD1-CD2 3.47Å; F412-L440 VanDerWaalsContact CD1-CD2 3.47Å; F412-L440 HydrophobicContact CD2-CD2 4.25Å; F412-L440 HydrophobicContact CE1-CD2 3.3Å; F412-L440 HydrophobicContact CE2-CD2 4.11Å; F412-L440 HydrophobicContact CG-CD2 3.93Å; F412-L440 HydrophobicContact CZ-CD2 3.64Å; F412-T442 PolarHBondContact N-OG1 3.21Å; F412-K443 PolarHBondContact N-O 3.46Å; F412-L444 HydrophobicContact CB-CD2 4.42Å; F412-L444 HydrophobicContact CD1-CD2 4.32Å; F412-W445 PolarHBondContact O-N 3.35Å
413	D	89.8	Confident	88	Confident	72 Å²	72	64.8 Å²	64.8	39%	0.385	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.4	-175.9	-60.9	-78.2	0	0	0	111.9	K411 W445	K411-D413 WeakPolarHBondContact CD-OD1 3.42Å; K411-D413 WeakPolarHBondContact CE-OD1 3.41Å; K411-D413 VanDerWaalsContact CE-OD2 3.3Å; K411-D413 WeakPolarHBondContact CE-OD2 3.46Å; K411-D413 IonicContact NZ-OD1 2.67Å; K411-D413 PolarHBondContact NZ-OD1 2.82Å; K411-D413 IonicContact NZ-OD2 2.92Å; D413-W445 CarbonylContact C-O 3.58Å; D413-W445 WeakPolarHBondContact CA-O 3.05Å; D413-W445 WeakPolarHBondContact OD1-CB 3.4Å; D413-W445 VanDerWaalsContact OD1-CG 3.25Å
414	M	91	Very high	88.5	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.5	174	-67.3	-167.9	-76.4	0	0	110.2	F412 I416 A428 I429 W445 I446 E447 W463	F412-M414 HydrophobicContact CD1-CE 4.28Å; F412-M414 HydrophobicContact CD1-CG 3.75Å; F412-M414 HydrophobicContact CD1-SD 4.1Å; F412-M414 HydrophobicContact CE1-CE 4.32Å; F412-M414 HydrophobicContact CE1-CG 3.41Å; F412-M414 VanDerWaalsContact CE1-CG 3.41Å; F412-M414 HydrophobicContact CE1-SD 3.59Å; F412-M414 VanDerWaalsContact CE1-SD 3.59Å; F412-M414 HydrophobicContact CZ-CG 4.38Å; M414-I416 HydrophobicContact CB-CD1 4.19Å; M414-I416 HydrophobicContact CB-CG1 4.15Å; M414-A428 HydrophobicContact CG-CB 4.07Å; M414-A428 HydrophobicContact SD-CB 3.79Å; M414-I429 HydrophobicContact CE-CD1 4.2Å; M414-I429 HydrophobicContact SD-CD1 3.79Å; M414-I429 HydrophobicContact SD-CG1 4.33Å; M414-W445 PolarHBondContact N-O 3.05Å; M414-I446 HydrophobicContact CB-CD1 4.02Å; M414-I446 HydrophobicContact CE-CD1 3.15Å; M414-I446 HydrophobicContact CG-CD1 4.5Å; M414-I446 HydrophobicContact SD-CD1 4.49Å; M414-E447 PolarHBondContact O-N 3.05Å; M414-W463 HydrophobicContact CE-CH2 3.83Å; M414-W463 HydrophobicContact CE-CZ2 3.72Å; M414-W463 HydrophobicContact CE-CZ3 4.31Å; M414-W463 HydrophobicContact SD-CZ2 4.34Å
415	H	90.3	Very high	89	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.6	168.6	-60.2	-84.3	0	0	0	108.9	E447	H415-E447 CarbonylContact C-O 3.5Å; H415-E447 WeakPolarHBondContact CA-O 3.37Å; H415-E447 IonicContact CE1-OE2 2.97Å; H415-E447 PolarHBondContact CE1-OE2 2.85Å; H415-E447 IonicContact ND1-OE2 3.86Å; H415-E447 PolarHBondContact ND1-OE2 3.47Å
416	I	91.8	Very high	89.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.4	-170.5	-57	-63.7	0	0	0	109.4	M414 V421 D424 I446 E447 F448 D449	M414-I416 HydrophobicContact CB-CD1 4.19Å; M414-I416 HydrophobicContact CB-CG1 4.15Å; I416-V421 HydrophobicContact CG2-CB 4.16Å; I416-V421 HydrophobicContact CG2-CG2 4.02Å; I416-D424 HydrophobicContact CD1-CB 3.73Å; I416-D424 HydrophobicContact CG2-CB 4.36Å; I416-I446 HydrophobicContact CG1-CG2 4.24Å; I416-E447 PolarHBondContact N-O 3.15Å; I416-F448 HydrophobicContact CB-CD1 4.13Å; I416-F448 HydrophobicContact CB-CE1 4.11Å; I416-F448 HydrophobicContact CG2-CD1 4.18Å; I416-F448 HydrophobicContact CG2-CE1 3.86Å; I416-F448 VanDerWaalsContact O-CA 3.23Å; I416-F448 WeakPolarHBondContact O-CA 3.26Å; I416-F448 WeakPolarHBondContact O-CD1 3.19Å; I416-D449 PolarHBondContact O-N 3.48Å; I416-D449 VanDerWaalsContact O-N 3.12Å
417	R	90.4	Very high	90.1	Very high	95 Å²	95	55 Å²	55	36%	0.358	27%	0.274	S	S	.	.			trans	-86.2	133.2	168	-67.1	164.6	-62.4	157.5	3.6	109	G419 H420 V421 D424 D449	R417-G419 VanDerWaalsContact C-N 3.3Å; R417-G419 PolarHBondContact O-N 2.57Å; R417-H420 HydrophobicContact CB-CB 4.15Å; R417-H420 CarbonylContact O-C 3.52Å; R417-H420 VanDerWaalsContact O-C 3.27Å; R417-H420 PolarHBondContact O-N 3.07Å; R417-V421 PolarHBondContact O-N 2.99Å; R417-D424 IonicContact CZ-OD1 3.66Å; R417-D424 IonicContact CZ-OD2 3.56Å; R417-D424 PolarHBondContact N-OD2 2.74Å; R417-D424 VanDerWaalsContact N-OD2 3.13Å; R417-D424 IonicContact NE-OD1 3.25Å; R417-D424 IonicContact NE-OD2 2.76Å; R417-D424 PolarHBondContact NE-OD2 2.67Å; R417-D424 IonicContact NH2-OD1 3.91Å; R417-D424 PolarHBondContact NH2-OD1 2.98Å; R417-D424 IonicContact NH2-OD2 2.74Å; R417-D424 PolarHBondContact NH2-OD2 2.9Å; R417-D449 WeakPolarHBondContact CD-OD2 3.4Å; R417-D449 HydrophobicContact CG-CB 3.93Å; R417-D449 WeakPolarHBondContact CG-OD2 3.49Å
418	R	86.2	Confident	90.7	Very high	84 Å²	84	48.4 Å²	48.4	32%	0.317	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-52.7	-47.5	178.9	-72	-174.8	176.7	-87.8	-5.1	112.3	H420 V421 F448 E451 E462	R418-H420 PolarHBondContact O-N 3.42Å; R418-V421 PolarHBondContact O-N 2.88Å; R418-F448 HydrophobicContact CG-CB 4.35Å; R418-F448 HydrophobicContact CG-CD1 3.62Å; R418-F448 HydrophobicContact CG-CE1 4.09Å; R418-F448 HydrophobicContact CG-CG 4.04Å; R418-E451 IonicContact CZ-OE1 3.36Å; R418-E451 VanDerWaalsContact CZ-OE1 3.32Å; R418-E451 IonicContact CZ-OE2 3.55Å; R418-E451 IonicContact NE-OE1 2.72Å; R418-E451 PolarHBondContact NE-OE1 3.16Å; R418-E451 IonicContact NE-OE2 3.88Å; R418-E451 IonicContact NH2-OE1 3.83Å; R418-E451 PolarHBondContact NH2-OE1 2.88Å; R418-E451 VanDerWaalsContact NH2-OE1 3.17Å; R418-E451 IonicContact NH2-OE2 3.25Å; R418-E451 PolarHBondContact NH2-OE2 2.74Å; R418-E462 IonicContact CZ-OE1 2.74Å; R418-E462 IonicContact NH1-OE1 2.84Å; R418-E462 PolarHBondContact NH1-OE1 2.76Å; R418-E462 IonicContact NH2-OE1 3.5Å; R418-E462 PolarHBondContact NH2-OE1 3.34Å; R418-E462 IonicContact NH2-OE2 3.77Å
419	G	85.5	Confident	91.2	Very high	22 Å²	22	46.8 Å²	46.8	23%	0.227	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-73.4	-1.5	177.3	0	0	0	0	0	115.7	N241 R417	N241-G419 WeakPolarHBondContact CB-O 3.38Å; R417-G419 VanDerWaalsContact C-N 3.3Å; R417-G419 PolarHBondContact O-N 2.57Å
420	H	89.4	Confident	91.6	Very high	39 Å²	39	45.5 Å²	45.5	18%	0.181	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-134.1	31.1	177.4	-59.4	68.5	0	0	0	110.7	R417 R418 F422 E423 D424	R417-H420 HydrophobicContact CB-CB 4.15Å; R417-H420 CarbonylContact O-C 3.52Å; R417-H420 VanDerWaalsContact O-C 3.27Å; R417-H420 PolarHBondContact O-N 3.07Å; R418-H420 PolarHBondContact O-N 3.42Å; H420-F422 PolarHBondContact O-N 3.41Å; H420-E423 PolarHBondContact O-N 3.03Å; H420-D424 WeakPolarHBondContact O-CB 3.41Å; H420-D424 PolarHBondContact O-N 3.28Å
421	V	91.8	Very high	92.1	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-57.3	-37.5	-174.4	64.8	0	0	0	0	111.4	I416 R417 R418 S425 L466 L467 E470	I416-V421 HydrophobicContact CG2-CB 4.16Å; I416-V421 HydrophobicContact CG2-CG2 4.02Å; R417-V421 PolarHBondContact O-N 2.99Å; R418-V421 PolarHBondContact O-N 2.88Å; V421-S425 WeakPolarHBondContact O-CB 3.43Å; V421-S425 PolarHBondContact O-N 3.36Å; V421-S425 PolarHBondContact O-OG 3.44Å; V421-L466 HydrophobicContact CG1-CB 4.49Å; V421-L466 HydrophobicContact CG2-CB 4.27Å; V421-L467 HydrophobicContact CG2-CB 4.13Å; V421-E470 HydrophobicContact CG1-CB 4.36Å; V421-E470 HydrophobicContact CG1-CG 3.65Å
422	F	91.9	Very high	92.4	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-52.6	-179.8	-172.1	-102.7	0	0	0	112.1	W234 H420 F426 L467 E470 M471 Y476 L478 Y505 F508	W234-F422 HydrophobicContact CH2-CE1 4.16Å; W234-F422 HydrophobicContact CZ2-CE1 4.19Å; H420-F422 PolarHBondContact O-N 3.41Å; F422-F426 VanDerWaalsContact O-CB 3.31Å; F422-F426 WeakPolarHBondContact O-CB 3.33Å; F422-F426 PolarHBondContact O-N 2.81Å; F422-L467 HydrophobicContact CB-CD1 4.45Å; F422-L467 HydrophobicContact CD2-CD1 3.95Å; F422-E470 HydrophobicContact CB-CB 4.09Å; F422-E470 HydrophobicContact CD2-CB 4.4Å; F422-M471 HydrophobicContact CD2-CB 3.98Å; F422-M471 VanDerWaalsContact CE2-CA 3.47Å; F422-M471 HydrophobicContact CE2-CB 3.71Å; F422-M471 HydrophobicContact CE2-CG 4.33Å; F422-Y476 HydrophobicContact CD1-CE1 4.19Å; F422-L478 HydrophobicContact CZ-CD1 4.23Å; F422-Y505 AromaticContact CE1-CD1 3.7Å; F422-Y505 HydrophobicContact CE1-CD1 3.7Å; F422-Y505 AromaticContact CE1-CE1 3.63Å; F422-Y505 HydrophobicContact CE1-CE1 3.63Å; F422-Y505 AromaticContact CZ-CD1 3.75Å; F422-Y505 HydrophobicContact CZ-CD1 3.75Å; F422-Y505 HydrophobicContact CZ-CE1 4.17Å; F422-F508 HydrophobicContact CD2-CE1 4.29Å; F422-F508 HydrophobicContact CE2-CD1 4.41Å; F422-F508 AromaticContact CE2-CE1 3.86Å; F422-F508 HydrophobicContact CE2-CE1 3.86Å; F422-F508 HydrophobicContact CZ-CE1 4.33Å
423	E	90.5	Very high	92.6	Very high	25 Å²	25	43.7 Å²	43.7	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-70.8	-43.5	-175.9	-64.5	88.1	161.8	0	0	113.3	R238 H420 S425 F426 R427	R238-E423 IonicContact NE-OE1 2.77Å; H420-E423 PolarHBondContact O-N 3.03Å; E423-S425 VanDerWaalsContact C-N 3.3Å; E423-S425 PolarHBondContact O-N 3.05Å; E423-F426 PolarHBondContact O-N 3.43Å; E423-R427 PolarHBondContact O-N 2.85Å
424	D	94.9	Very high	92.6	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-40.3	179.7	-72.6	-18.6	0	0	0	109.8	I416 R417 H420 R427 A428	I416-D424 HydrophobicContact CD1-CB 3.73Å; I416-D424 HydrophobicContact CG2-CB 4.36Å; R417-D424 IonicContact CZ-OD1 3.66Å; R417-D424 IonicContact CZ-OD2 3.56Å; R417-D424 PolarHBondContact N-OD2 2.74Å; R417-D424 VanDerWaalsContact N-OD2 3.13Å; R417-D424 IonicContact NE-OD1 3.25Å; R417-D424 IonicContact NE-OD2 2.76Å; R417-D424 PolarHBondContact NE-OD2 2.67Å; R417-D424 IonicContact NH2-OD1 3.91Å; R417-D424 PolarHBondContact NH2-OD1 2.98Å; R417-D424 IonicContact NH2-OD2 2.74Å; R417-D424 PolarHBondContact NH2-OD2 2.9Å; H420-D424 WeakPolarHBondContact O-CB 3.41Å; H420-D424 PolarHBondContact O-N 3.28Å; D424-R427 IonicContact OD1-NH2 3.79Å; D424-A428 WeakPolarHBondContact O-CB 3.37Å; D424-A428 PolarHBondContact O-N 3.45Å
425	S	96.2	Very high	92.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-42.9	173.9	-58.7	0	0	0	0	112.1	V421 E423 R427 A428 I429 W463	V421-S425 WeakPolarHBondContact O-CB 3.43Å; V421-S425 PolarHBondContact O-N 3.36Å; V421-S425 PolarHBondContact O-OG 3.44Å; E423-S425 VanDerWaalsContact C-N 3.3Å; E423-S425 PolarHBondContact O-N 3.05Å; S425-R427 VanDerWaalsContact C-N 3.35Å; S425-R427 PolarHBondContact O-N 3.21Å; S425-A428 PolarHBondContact O-N 3.41Å; S425-I429 WeakPolarHBondContact O-CB 3.5Å; S425-I429 VanDerWaalsContact O-CG1 3.26Å; S425-I429 WeakPolarHBondContact O-CG1 3.39Å; S425-I429 PolarHBondContact O-N 2.79Å; S425-W463 PolarHBondContact OG-NE1 3.13Å
426	F	95.2	Very high	92.5	Very high	38 Å²	38	51.2 Å²	51.2	17%	0.167	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-51.7	175.9	176.9	-93.8	0	0	0	110.7	F422 E423 A428 M430 Y505 F508	F422-F426 VanDerWaalsContact O-CB 3.31Å; F422-F426 WeakPolarHBondContact O-CB 3.33Å; F422-F426 PolarHBondContact O-N 2.81Å; E423-F426 PolarHBondContact O-N 3.43Å; F426-A428 PolarHBondContact O-N 3.45Å; F426-M430 HydrophobicContact CD2-CG 3.96Å; F426-M430 HydrophobicContact CE1-CG 4.48Å; F426-M430 HydrophobicContact CE2-CG 3.79Å; F426-M430 HydrophobicContact CG-CG 4.37Å; F426-M430 HydrophobicContact CZ-CG 4.08Å; F426-M430 WeakPolarHBondContact O-CB 3.41Å; F426-M430 VanDerWaalsContact O-CG 3.24Å; F426-M430 WeakPolarHBondContact O-CG 3.43Å; F426-M430 PolarHBondContact O-N 3Å; F426-Y505 HydrophobicContact CD1-CE1 4.34Å; F426-Y505 AromaticContact CD2-CD1 3.56Å; F426-Y505 HydrophobicContact CD2-CD1 3.56Å; F426-Y505 AromaticContact CD2-CE1 3.67Å; F426-Y505 HydrophobicContact CD2-CE1 3.67Å; F426-Y505 HydrophobicContact CD2-CG 4.44Å; F426-Y505 HydrophobicContact CE1-CE1 4.42Å; F426-Y505 AromaticContact CE2-CD1 3.57Å; F426-Y505 HydrophobicContact CE2-CD1 3.57Å; F426-Y505 AromaticContact CE2-CE1 3.77Å; F426-Y505 HydrophobicContact CE2-CE1 3.77Å; F426-Y505 HydrophobicContact CE2-CG 4.03Å; F426-Y505 HydrophobicContact CG-CD1 4.32Å; F426-Y505 AromaticContact CG-CE1 3.98Å; F426-Y505 HydrophobicContact CG-CE1 3.98Å; F426-Y505 HydrophobicContact CZ-CD1 4.31Å; F426-Y505 HydrophobicContact CZ-CE1 4.15Å; F426-F508 VanDerWaalsContact CA-CE2 3.46Å; F426-F508 HydrophobicContact CB-CD1 4.42Å; F426-F508 HydrophobicContact CB-CD2 4.44Å; F426-F508 HydrophobicContact CB-CE1 4.28Å; F426-F508 HydrophobicContact CB-CE2 4.32Å; F426-F508 HydrophobicContact CB-CG 4.49Å; F426-F508 HydrophobicContact CB-CZ 4.22Å; F426-F508 HydrophobicContact CD2-CB 3.58Å; F426-F508 AromaticContact CD2-CD1 3.73Å; F426-F508 HydrophobicContact CD2-CD1 3.73Å; F426-F508 HydrophobicContact CD2-CD2 4.07Å; F426-F508 HydrophobicContact CD2-CE1 4.4Å; F426-F508 AromaticContact CD2-CG 3.51Å; F426-F508 HydrophobicContact CD2-CG 3.51Å; F426-F508 HydrophobicContact CE2-CB 3.74Å; F426-F508 HydrophobicContact CE2-CG 4.21Å; F426-F508 HydrophobicContact CG-CG 4.42Å
427	R	94.8	Very high	92.6	Very high	169 Å²	169	51.7 Å²	51.7	64%	0.638	26%	0.258	S	S	*	.	H	α-helix	trans	-61.1	-47.7	178.9	-175.9	179.6	62.8	-179.2	-3.6	111.6	E423 D424 S425 S431	E423-R427 PolarHBondContact O-N 2.85Å; D424-R427 IonicContact OD1-NH2 3.79Å; S425-R427 VanDerWaalsContact C-N 3.35Å; S425-R427 PolarHBondContact O-N 3.21Å; R427-S431 VanDerWaalsContact O-CB 3.25Å; R427-S431 WeakPolarHBondContact O-CB 3.47Å; R427-S431 PolarHBondContact O-N 2.89Å; R427-S431 PolarHBondContact O-OG 3.47Å
428	A	95.5	Very high	92.7	Very high	22 Å²	22	49.6 Å²	49.6	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-51.3	-178.1	0	0	0	0	0	111.6	M414 D424 S425 F426 S431	M414-A428 HydrophobicContact CG-CB 4.07Å; M414-A428 HydrophobicContact SD-CB 3.79Å; D424-A428 WeakPolarHBondContact O-CB 3.37Å; D424-A428 PolarHBondContact O-N 3.45Å; S425-A428 PolarHBondContact O-N 3.41Å; F426-A428 PolarHBondContact O-N 3.45Å; A428-S431 PolarHBondContact O-OG 3.34Å
429	I	97.5	Very high	93	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.6	-40.1	-176.4	-61.9	-60.5	0	0	0	111.9	F412 M414 S425 S431 V432 L440 F508 R511 I512 I515	F412-I429 HydrophobicContact CE1-CD1 4.32Å; M414-I429 HydrophobicContact CE-CD1 4.2Å; M414-I429 HydrophobicContact SD-CD1 3.79Å; M414-I429 HydrophobicContact SD-CG1 4.33Å; S425-I429 WeakPolarHBondContact O-CB 3.5Å; S425-I429 VanDerWaalsContact O-CG1 3.26Å; S425-I429 WeakPolarHBondContact O-CG1 3.39Å; S425-I429 PolarHBondContact O-N 2.79Å; I429-S431 VanDerWaalsContact C-N 3.33Å; I429-V432 PolarHBondContact O-N 3.05Å; I429-L440 HydrophobicContact CD1-CD1 4.34Å; I429-L440 HydrophobicContact CD1-CD2 3.61Å; I429-L440 HydrophobicContact CG2-CD1 4.25Å; I429-F508 HydrophobicContact CB-CD2 3.99Å; I429-F508 HydrophobicContact CB-CE2 3.85Å; I429-F508 HydrophobicContact CG1-CE2 4.04Å; I429-F508 HydrophobicContact CG2-CD2 4.02Å; I429-F508 HydrophobicContact CG2-CE2 4.22Å; I429-R511 HydrophobicContact CG2-CB 4.04Å; I429-R511 PolarHBondContact O-NH1 3.36Å; I429-I512 HydrophobicContact CG1-CD1 3.93Å; I429-I515 HydrophobicContact CD1-CD1 4.06Å; I429-I515 HydrophobicContact CG2-CD1 4.23Å
430	M	96.1	Very high	93.5	Very high	44 Å²	44	45.3 Å²	45.3	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-76	-20.9	-179	-64.9	-60.3	-76.9	0	0	113.1	F426 V432 R507 F508	F426-M430 HydrophobicContact CD2-CG 3.96Å; F426-M430 HydrophobicContact CE1-CG 4.48Å; F426-M430 HydrophobicContact CE2-CG 3.79Å; F426-M430 HydrophobicContact CG-CG 4.37Å; F426-M430 HydrophobicContact CZ-CG 4.08Å; F426-M430 WeakPolarHBondContact O-CB 3.41Å; F426-M430 VanDerWaalsContact O-CG 3.24Å; F426-M430 WeakPolarHBondContact O-CG 3.43Å; F426-M430 PolarHBondContact O-N 3Å; M430-V432 PolarHBondContact O-N 3.48Å; M430-R507 HydrophobicContact CE-CB 4.44Å; M430-R507 HydrophobicContact CE-CG 4.3Å; M430-F508 HydrophobicContact CG-CB 3.92Å; M430-F508 HydrophobicContact CG-CD2 4.13Å; M430-F508 HydrophobicContact CG-CG 4.4Å; M430-F508 HydrophobicContact SD-CB 3.75Å; M430-F508 HydrophobicContact SD-CD2 4.49Å
431	S	95.7	Very high	93.6	Very high	89 Å²	89	44.9 Å²	44.9	62%	0.622	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22	171.5	76.4	0	0	0	0	113.4	R427 A428 I429 P433	R427-S431 VanDerWaalsContact O-CB 3.25Å; R427-S431 WeakPolarHBondContact O-CB 3.47Å; R427-S431 PolarHBondContact O-N 2.89Å; R427-S431 PolarHBondContact O-OG 3.47Å; A428-S431 PolarHBondContact O-OG 3.34Å; I429-S431 VanDerWaalsContact C-N 3.33Å; S431-P433 WeakPolarHBondContact O-CD 3.3Å
432	V	95.7	Very high	93.6	Very high	13 Å²	13	45 Å²	45	8%	0.079	23%	0.232	C	C	.	.	S	Bend	trans	-80.1	116.3	178.5	-178.2	0	0	0	0	110	F412 I429 M430 R436 L440 R511	F412-V432 HydrophobicContact CE2-CG2 3.82Å; F412-V432 HydrophobicContact CZ-CG2 3.76Å; I429-V432 PolarHBondContact O-N 3.05Å; M430-V432 PolarHBondContact O-N 3.48Å; V432-R436 HydrophobicContact CG1-CB 4.29Å; V432-R436 WeakPolarHBondContact CG1-O 3.32Å; V432-L440 HydrophobicContact CB-CD1 3.96Å; V432-L440 HydrophobicContact CB-CG 4.42Å; V432-L440 HydrophobicContact CG1-CD1 4.05Å; V432-L440 HydrophobicContact CG1-CG 4.26Å; V432-L440 HydrophobicContact CG2-CD1 4.13Å; V432-L440 HydrophobicContact CG2-CD2 4.16Å; V432-L440 HydrophobicContact CG2-CG 4.19Å; V432-R511 PolarHBondContact O-NH1 2.87Å; V432-R511 PolarHBondContact O-NH2 2.96Å
433	P	93.4	Very high	93.5	Very high	72 Å²	72	49.6 Å²	49.6	47%	0.468	25%	0.252	S	S	.	.			trans	-69.4	156.1	179.4	29.2	-34.3	0	0	0	111.4	S431 S435 R436 T437	S431-P433 WeakPolarHBondContact O-CD 3.3Å; P433-S435 PolarHBondContact O-N 3.19Å; P433-R436 HydrophobicContact CG-CB 4.02Å; P433-R436 HydrophobicContact CG-CG 4.01Å; P433-R436 PolarHBondContact O-N 2.83Å; P433-T437 PolarHBondContact O-N 3.04Å
434	F	90.6	Very high	93.5	Very high	132 Å²	132	48.8 Å²	48.8	58%	0.579	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-50.2	-42.4	-180	170.6	-107.8	0	0	0	113.1	R436 T437 E629	F434-R436 PolarHBondContact O-N 3.42Å; F434-R436 VanDerWaalsContact O-N 3.11Å; F434-T437 VanDerWaalsContact O-CG2 3.23Å; F434-T437 WeakPolarHBondContact O-CG2 3.36Å; F434-T437 PolarHBondContact O-N 2.74Å; F434-T437 PolarHBondContact O-OG1 3.23Å; F434-E629 HydrophobicContact CD2-CB 4.13Å; F434-E629 HydrophobicContact CD2-CG 3.69Å; F434-E629 HydrophobicContact CE2-CB 4.1Å; F434-E629 HydrophobicContact CE2-CG 3.86Å
435	S	89.3	Confident	93.1	Very high	97 Å²	97	51 Å²	51	68%	0.678	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-66	-9.7	-180	55.5	0	0	0	0	115.1	P433	P433-S435 PolarHBondContact O-N 3.19Å
436	R	90.8	Very high	92.8	Very high	118 Å²	118	51 Å²	51	45%	0.445	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-125	17	-177.7	-64	-72.8	-67.2	162	0.1	112.5	V432 P433 F434 D438 V439	V432-R436 HydrophobicContact CG1-CB 4.29Å; V432-R436 WeakPolarHBondContact CG1-O 3.32Å; P433-R436 HydrophobicContact CG-CB 4.02Å; P433-R436 HydrophobicContact CG-CG 4.01Å; P433-R436 PolarHBondContact O-N 2.83Å; F434-R436 PolarHBondContact O-N 3.42Å; F434-R436 VanDerWaalsContact O-N 3.11Å; R436-D438 PolarHBondContact O-N 3.35Å; R436-D438 VanDerWaalsContact O-N 3.14Å; R436-V439 WeakPolarHBondContact O-CG2 3.42Å; R436-V439 PolarHBondContact O-N 3.28Å; R436-V439 VanDerWaalsContact O-N 3.12Å
437	T	92.7	Very high	92.4	Very high	10 Å²	10	51.9 Å²	51.9	6%	0.061	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.9	-179.5	46.1	0	0	0	0	113.5	P433 F434 V439 L440 E629 F630	P433-T437 PolarHBondContact O-N 3.04Å; F434-T437 VanDerWaalsContact O-CG2 3.23Å; F434-T437 WeakPolarHBondContact O-CG2 3.36Å; F434-T437 PolarHBondContact O-N 2.74Å; F434-T437 PolarHBondContact O-OG1 3.23Å; T437-V439 PolarHBondContact O-N 3.42Å; T437-V439 VanDerWaalsContact O-N 3.14Å; T437-L440 WeakPolarHBondContact O-CB 3.23Å; T437-L440 PolarHBondContact O-N 3.39Å; T437-E629 HydrophobicContact CG2-CB 4.24Å; T437-E629 VanDerWaalsContact CG2-OE2 3.27Å; T437-E629 WeakPolarHBondContact CG2-OE2 3.21Å; T437-F630 HydrophobicContact CG2-CZ 4.26Å
438	D	92.1	Very high	91.9	Very high	52 Å²	52	44 Å²	44	28%	0.278	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-58.6	-25.3	174.5	-69.8	-36.5	0	0	0	113.6	P405 V408 R436 L440 K441	P405-D438 HydrophobicContact CB-CB 4.4Å; V408-D438 HydrophobicContact CG1-CB 3.92Å; R436-D438 PolarHBondContact O-N 3.35Å; R436-D438 VanDerWaalsContact O-N 3.14Å; D438-L440 PolarHBondContact O-N 3.42Å; D438-K441 WeakPolarHBondContact O-CB 3.48Å; D438-K441 PolarHBondContact O-N 3.45Å; D438-K441 VanDerWaalsContact O-N 3.08Å; D438-K441 WeakPolarHBondContact OD1-CD 3.15Å; D438-K441 WeakPolarHBondContact OD1-CE 3.1Å; D438-K441 IonicContact OD1-NZ 2.68Å; D438-K441 PolarHBondContact OD1-NZ 2.9Å
439	V	93.8	Very high	91.3	Very high	15 Å²	15	47.5 Å²	47.5	9%	0.091	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.5	-34.7	174.5	-176.6	0	0	0	0	110.9	V408 F412 R436 T437 K441 T442	V408-V439 HydrophobicContact CB-CG2 4.08Å; V408-V439 HydrophobicContact CG1-CG2 3.66Å; F412-V439 HydrophobicContact CB-CG1 4.17Å; F412-V439 HydrophobicContact CD2-CG1 3.53Å; F412-V439 HydrophobicContact CE2-CG1 4.34Å; F412-V439 HydrophobicContact CG-CG1 4.23Å; R436-V439 WeakPolarHBondContact O-CG2 3.42Å; R436-V439 PolarHBondContact O-N 3.28Å; R436-V439 VanDerWaalsContact O-N 3.12Å; T437-V439 PolarHBondContact O-N 3.42Å; T437-V439 VanDerWaalsContact O-N 3.14Å; V439-K441 PolarHBondContact O-N 3.27Å; V439-T442 WeakPolarHBondContact O-CB 3.37Å; V439-T442 WeakPolarHBondContact O-CG2 3.45Å; V439-T442 PolarHBondContact O-N 3.32Å; V439-T442 PolarHBondContact O-OG1 3.44Å
440	L	94.7	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-76.2	-10.7	177.9	-63.2	172	0	0	0	113	F412 I429 V432 T437 D438 T442 I515 H519 F630	F412-L440 HydrophobicContact CD1-CD2 3.47Å; F412-L440 VanDerWaalsContact CD1-CD2 3.47Å; F412-L440 HydrophobicContact CD2-CD2 4.25Å; F412-L440 HydrophobicContact CE1-CD2 3.3Å; F412-L440 HydrophobicContact CE2-CD2 4.11Å; F412-L440 HydrophobicContact CG-CD2 3.93Å; F412-L440 HydrophobicContact CZ-CD2 3.64Å; I429-L440 HydrophobicContact CD1-CD1 4.34Å; I429-L440 HydrophobicContact CD1-CD2 3.61Å; I429-L440 HydrophobicContact CG2-CD1 4.25Å; V432-L440 HydrophobicContact CB-CD1 3.96Å; V432-L440 HydrophobicContact CB-CG 4.42Å; V432-L440 HydrophobicContact CG1-CD1 4.05Å; V432-L440 HydrophobicContact CG1-CG 4.26Å; V432-L440 HydrophobicContact CG2-CD1 4.13Å; V432-L440 HydrophobicContact CG2-CD2 4.16Å; V432-L440 HydrophobicContact CG2-CG 4.19Å; T437-L440 WeakPolarHBondContact O-CB 3.23Å; T437-L440 PolarHBondContact O-N 3.39Å; D438-L440 PolarHBondContact O-N 3.42Å; L440-T442 VanDerWaalsContact C-N 3.35Å; L440-I515 HydrophobicContact CB-CD1 4.2Å; L440-I515 HydrophobicContact CB-CG1 4.36Å; L440-I515 HydrophobicContact CD1-CD1 4.12Å; L440-H519 PolarHBondContact O-NE2 2.86Å; L440-F630 HydrophobicContact CB-CE1 3.74Å; L440-F630 HydrophobicContact CB-CZ 3.92Å; L440-F630 HydrophobicContact CD1-CE1 4.48Å; L440-F630 HydrophobicContact CD1-CZ 3.81Å
441	K	93.4	Very high	89.3	Confident	30 Å²	30	53.1 Å²	53.1	13%	0.13	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-84.6	-12	170.6	-63	176.8	-170.9	160.3	0	112.4	P405 D438 V439 Y518 H519 F630	P405-K441 HydrophobicContact CB-CB 4.23Å; P405-K441 HydrophobicContact CG-CB 4.31Å; D438-K441 WeakPolarHBondContact O-CB 3.48Å; D438-K441 PolarHBondContact O-N 3.45Å; D438-K441 VanDerWaalsContact O-N 3.08Å; D438-K441 WeakPolarHBondContact OD1-CD 3.15Å; D438-K441 WeakPolarHBondContact OD1-CE 3.1Å; D438-K441 IonicContact OD1-NZ 2.68Å; D438-K441 PolarHBondContact OD1-NZ 2.9Å; V439-K441 PolarHBondContact O-N 3.27Å; K441-Y518 HydrophobicContact CB-CD1 4.03Å; K441-Y518 HydrophobicContact CB-CE1 3.55Å; K441-Y518 HydrophobicContact CB-CE2 4.35Å; K441-Y518 HydrophobicContact CD-CD2 4.23Å; K441-Y518 HydrophobicContact CD-CE1 4.5Å; K441-Y518 HydrophobicContact CD-CE2 3.79Å; K441-Y518 HydrophobicContact CG-CD1 4.12Å; K441-Y518 HydrophobicContact CG-CD2 4.19Å; K441-Y518 HydrophobicContact CG-CE1 3.98Å; K441-Y518 HydrophobicContact CG-CE2 4.03Å; K441-Y518 HydrophobicContact CG-CG 4.24Å; K441-Y518 WeakPolarHBondContact O-CE1 3.48Å; K441-H519 PolarHBondContact O-CE1 3.31Å; K441-F630 HydrophobicContact CG-CD1 3.95Å; K441-F630 HydrophobicContact CG-CE1 4.22Å
442	T	91.3	Very high	87.7	Confident	10 Å²	10	54.5 Å²	54.5	6%	0.061	30%	0.301	C	S	.	.	S	Bend	trans	-76.6	177.6	175.4	75.4	0	0	0	0	110.5	P405 V408 P409 K411 F412 V439 L440 L444 H519	P405-T442 HydrophobicContact CB-CG2 4.14Å; P405-T442 HydrophobicContact CG-CG2 4.31Å; V408-T442 HydrophobicContact CB-CG2 4.11Å; V408-T442 HydrophobicContact CG2-CG2 3.37Å; P409-T442 WeakPolarHBondContact O-CG2 3.15Å; K411-T442 VanDerWaalsContact C-OG1 3.31Å; F412-T442 PolarHBondContact N-OG1 3.21Å; V439-T442 WeakPolarHBondContact O-CB 3.37Å; V439-T442 WeakPolarHBondContact O-CG2 3.45Å; V439-T442 PolarHBondContact O-N 3.32Å; V439-T442 PolarHBondContact O-OG1 3.44Å; L440-T442 VanDerWaalsContact C-N 3.35Å; T442-L444 PolarHBondContact O-N 3.13Å; T442-H519 PolarHBondContact O-CE1 3.26Å
443	K	88.9	Confident	85.9	Confident	97 Å²	97	55 Å²	55	42%	0.422	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	115.7	179.6	-174.2	-177.3	176.7	-169.5	0	109.9	S410 K411 F412 W445 D455	S410-K443 PolarHBondContact O-N 3.1Å; K411-K443 CarbonylContact C-O 3.27Å; K411-K443 WeakPolarHBondContact CA-O 3.01Å; K411-K443 HydrophobicContact CB-CB 4.32Å; K411-K443 WeakPolarHBondContact CB-O 3.48Å; F412-K443 PolarHBondContact N-O 3.46Å; K443-W445 PolarHBondContact O-N 3.18Å; K443-D455 PolarHBondContact NZ-O 3.13Å
444	L	90.4	Very high	84	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	118.8	172.5	-54.5	179.6	0	0	0	108.3	F412 T442 I446 W463 F464 I515	F412-L444 HydrophobicContact CB-CD2 4.42Å; F412-L444 HydrophobicContact CD1-CD2 4.32Å; T442-L444 PolarHBondContact O-N 3.13Å; L444-I446 HydrophobicContact CB-CD1 4.24Å; L444-W463 HydrophobicContact CD1-CZ3 3.99Å; L444-F464 HydrophobicContact CD1-CE2 3.96Å; L444-F464 HydrophobicContact CD1-CZ 3.84Å; L444-I515 HydrophobicContact CD1-CG2 3.68Å
445	W	87.8	Confident	82.3	Confident	55 Å²	55	51.5 Å²	51.5	21%	0.208	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	103	-179.8	-174	-84.4	0	0	0	108.5	K411 F412 D413 M414 K443 E447 D455	K411-W445 HydrophobicContact CB-CB 4.38Å; K411-W445 HydrophobicContact CD-CB 4.01Å; K411-W445 HydrophobicContact CD-CD2 4.11Å; K411-W445 HydrophobicContact CD-CE3 4.16Å; K411-W445 HydrophobicContact CD-CG 4.05Å; F412-W445 PolarHBondContact O-N 3.35Å; D413-W445 CarbonylContact C-O 3.58Å; D413-W445 WeakPolarHBondContact CA-O 3.05Å; D413-W445 WeakPolarHBondContact OD1-CB 3.4Å; D413-W445 VanDerWaalsContact OD1-CG 3.25Å; M414-W445 PolarHBondContact N-O 3.05Å; K443-W445 PolarHBondContact O-N 3.18Å; W445-E447 PolarHBondContact NE1-OE1 3.37Å; W445-D455 WeakPolarHBondContact CA-OD2 3.48Å; W445-D455 HydrophobicContact CD2-CB 4.09Å; W445-D455 HydrophobicContact CE3-CB 3.99Å; W445-D455 HydrophobicContact CH2-CB 4.05Å; W445-D455 HydrophobicContact CZ2-CB 4.15Å; W445-D455 HydrophobicContact CZ3-CB 3.98Å
446	I	88.7	Confident	80.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.2	-174.6	-45.5	-56	0	0	0	109.6	M414 I416 L444 F448 D455 V459 A460 W463	M414-I446 HydrophobicContact CB-CD1 4.02Å; M414-I446 HydrophobicContact CE-CD1 3.15Å; M414-I446 HydrophobicContact CG-CD1 4.5Å; M414-I446 HydrophobicContact SD-CD1 4.49Å; I416-I446 HydrophobicContact CG1-CG2 4.24Å; L444-I446 HydrophobicContact CB-CD1 4.24Å; I446-F448 HydrophobicContact CG2-CE2 4.31Å; I446-F448 HydrophobicContact CG2-CZ 4.32Å; I446-D455 PolarHBondContact N-OD2 3.36Å; I446-V459 HydrophobicContact CB-CB 4.49Å; I446-V459 HydrophobicContact CB-CG1 3.89Å; I446-V459 HydrophobicContact CG2-CG1 4.07Å; I446-V459 WeakPolarHBondContact O-CG1 3.17Å; I446-A460 HydrophobicContact CG1-CB 4.12Å; I446-W463 HydrophobicContact CD1-CD2 4.16Å; I446-W463 HydrophobicContact CD1-CE3 4.43Å; I446-W463 HydrophobicContact CD1-CG 4.28Å; I446-W463 HydrophobicContact CG1-CB 4.1Å; I446-W463 HydrophobicContact CG1-CD2 4.43Å; I446-W463 HydrophobicContact CG1-CG 4.17Å; I446-W463 HydrophobicContact CG2-CB 4.11Å; I446-W463 HydrophobicContact CG2-CG 4.18Å
447	E	86.7	Confident	79.3	Confident	56 Å²	56	48.3 Å²	48.3	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.6	172.8	-65.4	-176.1	-174.2	0	0	109	M414 H415 I416 W445	M414-E447 PolarHBondContact O-N 3.05Å; H415-E447 CarbonylContact C-O 3.5Å; H415-E447 WeakPolarHBondContact CA-O 3.37Å; H415-E447 IonicContact CE1-OE2 2.97Å; H415-E447 PolarHBondContact CE1-OE2 2.85Å; H415-E447 IonicContact ND1-OE2 3.86Å; H415-E447 PolarHBondContact ND1-OE2 3.47Å; I416-E447 PolarHBondContact N-O 3.15Å; W445-E447 PolarHBondContact NE1-OE1 3.37Å
448	F	85.9	Confident	78.2	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.022	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.8	172.1	-71.2	-71.5	0	0	0	110.3	I416 R418 I446 G450 E451 V459 W463 L466	I416-F448 HydrophobicContact CB-CD1 4.13Å; I416-F448 HydrophobicContact CB-CE1 4.11Å; I416-F448 HydrophobicContact CG2-CD1 4.18Å; I416-F448 HydrophobicContact CG2-CE1 3.86Å; I416-F448 VanDerWaalsContact O-CA 3.23Å; I416-F448 WeakPolarHBondContact O-CA 3.26Å; I416-F448 WeakPolarHBondContact O-CD1 3.19Å; R418-F448 HydrophobicContact CG-CB 4.35Å; R418-F448 HydrophobicContact CG-CD1 3.62Å; R418-F448 HydrophobicContact CG-CE1 4.09Å; R418-F448 HydrophobicContact CG-CG 4.04Å; I446-F448 HydrophobicContact CG2-CE2 4.31Å; I446-F448 HydrophobicContact CG2-CZ 4.32Å; F448-G450 PolarHBondContact O-N 3.44Å; F448-E451 HydrophobicContact CB-CB 4.43Å; F448-E451 HydrophobicContact CB-CG 4.43Å; F448-E451 PolarHBondContact O-N 2.96Å; F448-V459 HydrophobicContact CD2-CG1 3.61Å; F448-V459 HydrophobicContact CE2-CG1 3.49Å; F448-V459 VanDerWaalsContact CE2-CG1 3.49Å; F448-W463 HydrophobicContact CZ-CB 4.26Å; F448-L466 HydrophobicContact CE1-CD1 4.45Å; F448-L466 HydrophobicContact CZ-CD1 4.02Å
449	D	81.7	Confident	77.7	Confident	95 Å²	95	46.6 Å²	46.6	51%	0.508	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	131.1	179.6	-86.2	7.3	0	0	0	111.4	I416 R417 E451	I416-D449 PolarHBondContact O-N 3.48Å; I416-D449 VanDerWaalsContact O-N 3.12Å; R417-D449 WeakPolarHBondContact CD-OD2 3.4Å; R417-D449 HydrophobicContact CG-CB 3.93Å; R417-D449 WeakPolarHBondContact CG-OD2 3.49Å; D449-E451 VanDerWaalsContact C-N 3.31Å
450	G	76.2	Confident	77.2	Confident	90 Å²	90	46.2 Å²	46.2	93%	0.928	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-7.2	-178.5	0	0	0	0	0	114.8	F448	F448-G450 PolarHBondContact O-N 3.44Å
451	E	75.9	Confident	76.4	Confident	72 Å²	72	47 Å²	47	34%	0.336	26%	0.262	S	S	.	.	S	Bend	trans	-109.5	137.4	-176.4	-63.6	174.9	-163.2	0	0	111.4	R418 F448 D449 G453	R418-E451 IonicContact CZ-OE1 3.36Å; R418-E451 VanDerWaalsContact CZ-OE1 3.32Å; R418-E451 IonicContact CZ-OE2 3.55Å; R418-E451 IonicContact NE-OE1 2.72Å; R418-E451 PolarHBondContact NE-OE1 3.16Å; R418-E451 IonicContact NE-OE2 3.88Å; R418-E451 IonicContact NH2-OE1 3.83Å; R418-E451 PolarHBondContact NH2-OE1 2.88Å; R418-E451 VanDerWaalsContact NH2-OE1 3.17Å; R418-E451 IonicContact NH2-OE2 3.25Å; R418-E451 PolarHBondContact NH2-OE2 2.74Å; F448-E451 HydrophobicContact CB-CB 4.43Å; F448-E451 HydrophobicContact CB-CG 4.43Å; F448-E451 PolarHBondContact O-N 2.96Å; D449-E451 VanDerWaalsContact C-N 3.31Å; E451-G453 PolarHBondContact O-N 3.11Å
452	T	62.7	Low	76	Confident	118 Å²	118	48.2 Å²	48.2	72%	0.724	27%	0.268	S	S	*	.			trans	-72.6	93	168	48.9	0	0	0	0	108.7	L454	T452-L454 PolarHBondContact O-N 2.84Å
453	G	56.6	Low	76	Confident	23 Å²	23	47.8 Å²	47.8	24%	0.237	27%	0.265	C	S	.	.			trans	-62.9	87.4	179.8	0	0	0	0	0	113	E451 D455	E451-G453 PolarHBondContact O-N 3.11Å; G453-D455 VanDerWaalsContact C-N 3.31Å; G453-D455 PolarHBondContact O-N 2.94Å; G453-D455 VanDerWaalsContact O-N 3.12Å
454	L	54.3	Low	76	Confident	127 Å²	127	43.3 Å²	43.3	67%	0.665	25%	0.246	S	C	*	.			trans	-83.5	77.8	169.6	-75	164.4	0	0	0	109.1	T452 Y456	T452-L454 PolarHBondContact O-N 2.84Å; L454-Y456 VanDerWaalsContact C-N 3.32Å; L454-Y456 PolarHBondContact O-N 2.88Å
455	D	54.6	Low	75.8	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	25%	0.251	C	S	.	.			trans	-82.8	71.5	-169.2	-162.9	11.1	0	0	0	113.8	K443 W445 I446 G453 G457	K443-D455 PolarHBondContact NZ-O 3.13Å; W445-D455 WeakPolarHBondContact CA-OD2 3.48Å; W445-D455 HydrophobicContact CD2-CB 4.09Å; W445-D455 HydrophobicContact CE3-CB 3.99Å; W445-D455 HydrophobicContact CH2-CB 4.05Å; W445-D455 HydrophobicContact CZ2-CB 4.15Å; W445-D455 HydrophobicContact CZ3-CB 3.98Å; I446-D455 PolarHBondContact N-OD2 3.36Å; G453-D455 VanDerWaalsContact C-N 3.31Å; G453-D455 PolarHBondContact O-N 2.94Å; G453-D455 VanDerWaalsContact O-N 3.12Å; D455-G457 PolarHBondContact O-N 2.85Å; D455-G457 VanDerWaalsContact OD1-CA 3.29Å; D455-G457 WeakPolarHBondContact OD1-CA 3.48Å; D455-G457 PolarHBondContact OD1-N 3.4Å
456	Y	57.2	Low	75.8	Confident	137 Å²	137	44.2 Å²	44.2	54%	0.537	25%	0.253	S	S	.	.	S	Bend	trans	-76.5	34.2	157.8	-54.5	-89.3	0	0	0	110.7	L454 G458 S715 C738 F739	L454-Y456 VanDerWaalsContact C-N 3.32Å; L454-Y456 PolarHBondContact O-N 2.88Å; Y456-G458 VanDerWaalsContact C-N 3.34Å; Y456-G458 PolarHBondContact O-N 3.47Å; Y456-S715 WeakPolarHBondContact O-CB 3.44Å; Y456-C738 WeakPolarHBondContact CB-SG 3.37Å; Y456-C738 HydrophobicContact CG-CB 4.46Å; Y456-C738 WeakPolarHBondContact O-CA 3.38Å; Y456-C738 WeakPolarHBondContact O-CB 3.37Å; Y456-C738 PolarHBondContact O-SG 3.17Å; Y456-F739 HydrophobicContact CD1-CZ 4.32Å
457	G	60.1	Low	76	Confident	10 Å²	10	44.2 Å²	44.2	10%	0.103	25%	0.253	C	S	.	.	S	Bend	trans	78.8	5.1	170.3	0	0	0	0	0	116.6	D455 R461	D455-G457 PolarHBondContact O-N 2.85Å; D455-G457 VanDerWaalsContact OD1-CA 3.29Å; D455-G457 WeakPolarHBondContact OD1-CA 3.48Å; D455-G457 PolarHBondContact OD1-N 3.4Å; G457-R461 PolarHBondContact O-NE 2.91Å; G457-R461 PolarHBondContact O-NH2 2.88Å
458	G	69.9	Low	76.2	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.021	24%	0.241	C	C	.	.	S	Bend	trans	-71.8	-49	167.3	0	0	0	0	0	112.1	Y456 A460 R461 E462 T737 C738	Y456-G458 VanDerWaalsContact C-N 3.34Å; Y456-G458 PolarHBondContact O-N 3.47Å; G458-A460 VanDerWaalsContact C-N 3.34Å; G458-A460 PolarHBondContact O-N 3.36Å; G458-R461 WeakPolarHBondContact O-CB 3.14Å; G458-R461 PolarHBondContact O-N 2.96Å; G458-E462 PolarHBondContact O-N 3.19Å; G458-T737 WeakPolarHBondContact CA-OG1 3.25Å; G458-C738 PolarHBondContact N-SG 2.72Å
459	V	81	Confident	76.2	Confident	24 Å²	24	46.4 Å²	46.4	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-41.5	-175.5	-168	0	0	0	0	111.5	I446 F448 R461 E462 W463	I446-V459 HydrophobicContact CB-CB 4.49Å; I446-V459 HydrophobicContact CB-CG1 3.89Å; I446-V459 HydrophobicContact CG2-CG1 4.07Å; I446-V459 WeakPolarHBondContact O-CG1 3.17Å; F448-V459 HydrophobicContact CD2-CG1 3.61Å; F448-V459 HydrophobicContact CE2-CG1 3.49Å; F448-V459 VanDerWaalsContact CE2-CG1 3.49Å; V459-R461 VanDerWaalsContact C-N 3.27Å; V459-R461 PolarHBondContact O-N 3.01Å; V459-E462 PolarHBondContact O-N 3.34Å; V459-W463 WeakPolarHBondContact O-CB 3.47Å; V459-W463 PolarHBondContact O-N 2.9Å
460	A	83.5	Confident	76.4	Confident	8 Å²	8	43.5 Å²	43.5	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-34.7	175.8	0	0	0	0	0	113.5	I446 G458 F464	I446-A460 HydrophobicContact CG1-CB 4.12Å; G458-A460 VanDerWaalsContact C-N 3.34Å; G458-A460 PolarHBondContact O-N 3.36Å; A460-F464 WeakPolarHBondContact O-CD2 3.42Å; A460-F464 PolarHBondContact O-N 3.35Å; A460-F464 VanDerWaalsContact O-N 3.16Å
461	R	78.6	Confident	77.1	Confident	16 Å²	16	39.2 Å²	39.2	6%	0.06	20%	0.202	C	C	.	.	H	α-helix	trans	-70.9	-46.7	176.4	-86.1	172.7	-73.5	168.5	-4.3	111.8	G457 G458 V459 W463 F464 F465 K521 T699 T737 N740	G457-R461 PolarHBondContact O-NE 2.91Å; G457-R461 PolarHBondContact O-NH2 2.88Å; G458-R461 WeakPolarHBondContact O-CB 3.14Å; G458-R461 PolarHBondContact O-N 2.96Å; V459-R461 VanDerWaalsContact C-N 3.27Å; V459-R461 PolarHBondContact O-N 3.01Å; R461-W463 PolarHBondContact O-N 2.96Å; R461-F464 PolarHBondContact O-N 3.14Å; R461-F464 VanDerWaalsContact O-N 3.14Å; R461-F465 PolarHBondContact O-N 2.68Å; R461-K521 HydrophobicContact CG-CD 3.71Å; R461-T699 PolarHBondContact NH1-O 2.93Å; R461-T737 VanDerWaalsContact CZ-O 3.3Å; R461-T737 PolarHBondContact NH1-O 2.69Å; R461-T737 PolarHBondContact NH2-O 3.46Å; R461-N740 PolarHBondContact NH1-OD1 2.94Å
462	E	84.1	Confident	77.7	Confident	56 Å²	56	36.1 Å²	36.1	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-57.2	-42.8	175.4	-177.5	-177.8	-168	0	0	110.4	R418 G458 V459 F464 F465 L466	R418-E462 IonicContact CZ-OE1 2.74Å; R418-E462 IonicContact NH1-OE1 2.84Å; R418-E462 PolarHBondContact NH1-OE1 2.76Å; R418-E462 IonicContact NH2-OE1 3.5Å; R418-E462 PolarHBondContact NH2-OE1 3.34Å; R418-E462 IonicContact NH2-OE2 3.77Å; G458-E462 PolarHBondContact O-N 3.19Å; V459-E462 PolarHBondContact O-N 3.34Å; E462-F464 PolarHBondContact O-N 3.08Å; E462-F465 WeakPolarHBondContact O-CB 3.15Å; E462-F465 PolarHBondContact O-N 3.3Å; E462-F465 VanDerWaalsContact O-N 3.12Å; E462-L466 HydrophobicContact CG-CD1 3.89Å; E462-L466 HydrophobicContact CG-CG 4.17Å; E462-L466 WeakPolarHBondContact O-CG 3.42Å; E462-L466 PolarHBondContact O-N 2.96Å
463	W	90.4	Very high	78.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-47	173.9	173.2	77	0	0	0	112.8	M414 S425 L444 I446 F448 V459 R461 F465 L467 I512	M414-W463 HydrophobicContact CE-CH2 3.83Å; M414-W463 HydrophobicContact CE-CZ2 3.72Å; M414-W463 HydrophobicContact CE-CZ3 4.31Å; M414-W463 HydrophobicContact SD-CZ2 4.34Å; S425-W463 PolarHBondContact OG-NE1 3.13Å; L444-W463 HydrophobicContact CD1-CZ3 3.99Å; I446-W463 HydrophobicContact CD1-CD2 4.16Å; I446-W463 HydrophobicContact CD1-CE3 4.43Å; I446-W463 HydrophobicContact CD1-CG 4.28Å; I446-W463 HydrophobicContact CG1-CB 4.1Å; I446-W463 HydrophobicContact CG1-CD2 4.43Å; I446-W463 HydrophobicContact CG1-CG 4.17Å; I446-W463 HydrophobicContact CG2-CB 4.11Å; I446-W463 HydrophobicContact CG2-CG 4.18Å; F448-W463 HydrophobicContact CZ-CB 4.26Å; V459-W463 WeakPolarHBondContact O-CB 3.47Å; V459-W463 PolarHBondContact O-N 2.9Å; R461-W463 PolarHBondContact O-N 2.96Å; W463-F465 VanDerWaalsContact C-N 3.3Å; W463-F465 PolarHBondContact O-N 3.17Å; W463-L467 HydrophobicContact CH2-CD2 3.99Å; W463-L467 HydrophobicContact CZ2-CD2 3.48Å; W463-L467 VanDerWaalsContact CZ2-CD2 3.48Å; W463-L467 WeakPolarHBondContact O-CB 3.24Å; W463-L467 PolarHBondContact O-N 3.14Å; W463-I512 HydrophobicContact CH2-CD1 3.66Å; W463-I512 HydrophobicContact CZ2-CD1 4.07Å
464	F	90.8	Very high	79.8	Confident	3 Å²	3	31.6 Å²	31.6	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-42.7	174.5	-82.3	-71.6	0	0	0	112.2	L444 A460 R461 E462 S468 I512 I515 A516 K521 L523	L444-F464 HydrophobicContact CD1-CE2 3.96Å; L444-F464 HydrophobicContact CD1-CZ 3.84Å; A460-F464 WeakPolarHBondContact O-CD2 3.42Å; A460-F464 PolarHBondContact O-N 3.35Å; A460-F464 VanDerWaalsContact O-N 3.16Å; R461-F464 PolarHBondContact O-N 3.14Å; R461-F464 VanDerWaalsContact O-N 3.14Å; E462-F464 PolarHBondContact O-N 3.08Å; F464-S468 WeakPolarHBondContact O-CB 3.26Å; F464-S468 PolarHBondContact O-N 3.42Å; F464-S468 PolarHBondContact O-OG 2.84Å; F464-I512 HydrophobicContact CD1-CG2 4.41Å; F464-I512 HydrophobicContact CE1-CG2 4.39Å; F464-I515 HydrophobicContact CE1-CG2 4.34Å; F464-I515 HydrophobicContact CZ-CG2 3.86Å; F464-A516 HydrophobicContact CD1-CB 3.93Å; F464-A516 HydrophobicContact CE1-CB 3.62Å; F464-A516 HydrophobicContact CZ-CB 4.33Å; F464-K521 HydrophobicContact CD1-CB 4.47Å; F464-K521 HydrophobicContact CD2-CB 3.49Å; F464-K521 VanDerWaalsContact CD2-CB 3.49Å; F464-K521 HydrophobicContact CD2-CG 3.59Å; F464-K521 HydrophobicContact CE2-CB 3.7Å; F464-K521 HydrophobicContact CE2-CG 3.48Å; F464-K521 VanDerWaalsContact CE2-CG 3.48Å; F464-K521 HydrophobicContact CG-CB 3.93Å; F464-K521 HydrophobicContact CZ-CB 4.24Å; F464-K521 HydrophobicContact CZ-CG 4.27Å; F464-L523 HydrophobicContact CD1-CD2 3.97Å
465	F	84.9	Confident	80.8	Confident	36 Å²	36	32.2 Å²	32.2	16%	0.158	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-57.5	178.6	177.4	-92.9	0	0	0	111.2	R461 E462 W463 L467 S468 H469 D524	R461-F465 PolarHBondContact O-N 2.68Å; E462-F465 WeakPolarHBondContact O-CB 3.15Å; E462-F465 PolarHBondContact O-N 3.3Å; E462-F465 VanDerWaalsContact O-N 3.12Å; W463-F465 VanDerWaalsContact C-N 3.3Å; W463-F465 PolarHBondContact O-N 3.17Å; F465-L467 VanDerWaalsContact C-N 3.33Å; F465-L467 PolarHBondContact O-N 3.31Å; F465-S468 PolarHBondContact O-N 2.88Å; F465-S468 VanDerWaalsContact O-N 3.16Å; F465-S468 PolarHBondContact O-OG 2.61Å; F465-H469 PolarHBondContact O-N 3Å; F465-D524 HydrophobicContact CD2-CB 3.97Å; F465-D524 HydrophobicContact CE2-CB 3.9Å
466	L	88.1	Confident	82	Confident	47 Å²	47	32.2 Å²	32.2	25%	0.246	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-46.3	-179.9	-67.1	176.6	0	0	0	111.3	V421 F448 E462 S468 H469 E470	V421-L466 HydrophobicContact CG1-CB 4.49Å; V421-L466 HydrophobicContact CG2-CB 4.27Å; F448-L466 HydrophobicContact CE1-CD1 4.45Å; F448-L466 HydrophobicContact CZ-CD1 4.02Å; E462-L466 HydrophobicContact CG-CD1 3.89Å; E462-L466 HydrophobicContact CG-CG 4.17Å; E462-L466 WeakPolarHBondContact O-CG 3.42Å; E462-L466 PolarHBondContact O-N 2.96Å; L466-S468 PolarHBondContact O-N 3.45Å; L466-H469 PolarHBondContact O-N 3.01Å; L466-E470 PolarHBondContact O-N 3.12Å; L466-E470 VanDerWaalsContact O-N 3.15Å
467	L	93.2	Very high	83.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-41.9	178.7	179.7	58.8	0	0	0	111.6	V421 F422 W463 F465 H469 E470 M471 F508 I512	V421-L467 HydrophobicContact CG2-CB 4.13Å; F422-L467 HydrophobicContact CB-CD1 4.45Å; F422-L467 HydrophobicContact CD2-CD1 3.95Å; W463-L467 HydrophobicContact CH2-CD2 3.99Å; W463-L467 HydrophobicContact CZ2-CD2 3.48Å; W463-L467 VanDerWaalsContact CZ2-CD2 3.48Å; W463-L467 WeakPolarHBondContact O-CB 3.24Å; W463-L467 PolarHBondContact O-N 3.14Å; F465-L467 VanDerWaalsContact C-N 3.33Å; F465-L467 PolarHBondContact O-N 3.31Å; L467-H469 VanDerWaalsContact C-N 3.34Å; L467-E470 PolarHBondContact O-N 3.23Å; L467-M471 HydrophobicContact CG-CE 4.39Å; L467-M471 WeakPolarHBondContact O-CB 3.36Å; L467-M471 PolarHBondContact O-N 3.34Å; L467-F508 HydrophobicContact CD1-CE1 4.42Å; L467-F508 HydrophobicContact CD1-CZ 4.12Å; L467-F508 HydrophobicContact CD2-CZ 4.11Å; L467-I512 HydrophobicContact CD2-CD1 3.59Å; L467-I512 HydrophobicContact CD2-CG1 3.94Å; L467-I512 HydrophobicContact CD2-CG2 4.13Å
468	S	90.4	Very high	84.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-39.1	178.1	63.7	0	0	0	0	112.5	F464 F465 L466 E470 M471 F472 D524	F464-S468 WeakPolarHBondContact O-CB 3.26Å; F464-S468 PolarHBondContact O-N 3.42Å; F464-S468 PolarHBondContact O-OG 2.84Å; F465-S468 PolarHBondContact O-N 2.88Å; F465-S468 VanDerWaalsContact O-N 3.16Å; F465-S468 PolarHBondContact O-OG 2.61Å; L466-S468 PolarHBondContact O-N 3.45Å; S468-E470 PolarHBondContact O-N 3.45Å; S468-M471 PolarHBondContact O-N 3.21Å; S468-F472 WeakPolarHBondContact O-CB 3.37Å; S468-F472 WeakPolarHBondContact O-CD2 3.47Å; S468-F472 WeakPolarHBondContact O-CG 3.48Å; S468-F472 PolarHBondContact O-N 3.1Å; S468-F472 VanDerWaalsContact O-N 3.11Å; S468-D524 WeakPolarHBondContact OG-CB 3.31Å; S468-D524 PolarHBondContact OG-N 3.13Å
469	H	85.2	Confident	85.9	Confident	106 Å²	106	25.3 Å²	25.3	49%	0.491	12%	0.121	S	C	.	.	H	α-helix	trans	-61.5	-44.7	177.2	-160	77.7	0	0	0	111.6	F465 L466 L467 S473 D524	F465-H469 PolarHBondContact O-N 3Å; L466-H469 PolarHBondContact O-N 3.01Å; L467-H469 VanDerWaalsContact C-N 3.34Å; H469-S473 PolarHBondContact O-N 3.01Å; H469-D524 IonicContact ND1-OD2 3.8Å; H469-D524 PolarHBondContact ND1-OD2 3.49Å
470	E	87.4	Confident	86.1	Confident	35 Å²	35	27.1 Å²	27.1	16%	0.164	13%	0.127	C	C	.	.	H	α-helix	trans	-68.8	-50.9	175.3	-69.6	-53.6	134.8	0	0	112.2	N237 V421 F422 L466 L467 S468 F472 S473 Y476	N237-E470 PolarHBondContact ND2-OE2 3.35Å; V421-E470 HydrophobicContact CG1-CB 4.36Å; V421-E470 HydrophobicContact CG1-CG 3.65Å; F422-E470 HydrophobicContact CB-CB 4.09Å; F422-E470 HydrophobicContact CD2-CB 4.4Å; L466-E470 PolarHBondContact O-N 3.12Å; L466-E470 VanDerWaalsContact O-N 3.15Å; L467-E470 PolarHBondContact O-N 3.23Å; S468-E470 PolarHBondContact O-N 3.45Å; E470-F472 PolarHBondContact O-N 3.39Å; E470-F472 VanDerWaalsContact O-N 3.15Å; E470-S473 WeakPolarHBondContact O-CB 3.45Å; E470-S473 PolarHBondContact O-N 3.02Å; E470-Y476 HydrophobicContact CB-CE2 4.16Å; E470-Y476 WeakPolarHBondContact O-CD2 3.26Å; E470-Y476 WeakPolarHBondContact O-CE2 3.36Å; E470-Y476 WeakPolarHBondContact OE2-CE2 3.33Å; E470-Y476 PolarHBondContact OE2-OH 3.3Å
471	M	89.9	Confident	85.8	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-36.3	-176	158.3	167.6	48.7	0	0	114.4	F422 L467 S468 I509 I512	F422-M471 HydrophobicContact CD2-CB 3.98Å; F422-M471 VanDerWaalsContact CE2-CA 3.47Å; F422-M471 HydrophobicContact CE2-CB 3.71Å; F422-M471 HydrophobicContact CE2-CG 4.33Å; L467-M471 HydrophobicContact CG-CE 4.39Å; L467-M471 WeakPolarHBondContact O-CB 3.36Å; L467-M471 PolarHBondContact O-N 3.34Å; S468-M471 PolarHBondContact O-N 3.21Å; M471-I509 HydrophobicContact CG-CD1 4.33Å; M471-I509 HydrophobicContact CG-CG1 3.73Å; M471-I509 HydrophobicContact CG-CG2 4.37Å; M471-I509 HydrophobicContact SD-CB 3.81Å; M471-I509 HydrophobicContact SD-CG1 3.5Å; M471-I509 WeakPolarHBondContact SD-CG1 3.39Å; M471-I509 HydrophobicContact SD-CG2 3.63Å; M471-I512 HydrophobicContact CE-CB 4.27Å; M471-I512 HydrophobicContact CE-CG2 3.66Å; M471-I512 HydrophobicContact SD-CB 4.46Å; M471-I512 HydrophobicContact SD-CG2 4.47Å
472	F	88.5	Confident	85.2	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.026	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.3	-176.5	-61.8	-46.9	0	0	0	113.1	S468 E470 P474 F479 L489 I509 M513 L523 A525 F527	S468-F472 WeakPolarHBondContact O-CB 3.37Å; S468-F472 WeakPolarHBondContact O-CD2 3.47Å; S468-F472 WeakPolarHBondContact O-CG 3.48Å; S468-F472 PolarHBondContact O-N 3.1Å; S468-F472 VanDerWaalsContact O-N 3.11Å; E470-F472 PolarHBondContact O-N 3.39Å; E470-F472 VanDerWaalsContact O-N 3.15Å; F472-P474 WeakPolarHBondContact O-CD 3.5Å; F472-F479 AromaticContact CD1-CD2 3.87Å; F472-F479 HydrophobicContact CD1-CD2 3.87Å; F472-F479 AromaticContact CD1-CE2 3.52Å; F472-F479 HydrophobicContact CD1-CE2 3.52Å; F472-F479 AromaticContact CD1-CZ 3.91Å; F472-F479 HydrophobicContact CD1-CZ 3.91Å; F472-F479 AromaticContact CE1-CE2 3.81Å; F472-F479 HydrophobicContact CE1-CE2 3.81Å; F472-F479 AromaticContact CE1-CZ 3.9Å; F472-F479 HydrophobicContact CE1-CZ 3.9Å; F472-L489 HydrophobicContact CB-CD1 3.67Å; F472-L489 HydrophobicContact CG-CD1 4.41Å; F472-I509 HydrophobicContact CE1-CG2 3.85Å; F472-I509 HydrophobicContact CZ-CG2 4.3Å; F472-M513 HydrophobicContact CE1-CE 3.7Å; F472-M513 HydrophobicContact CZ-CE 3.52Å; F472-L523 HydrophobicContact CE2-CB 4.31Å; F472-L523 HydrophobicContact CE2-CD1 4.39Å; F472-L523 HydrophobicContact CZ-CD1 4.41Å; F472-A525 HydrophobicContact CD2-CB 3.43Å; F472-A525 VanDerWaalsContact CD2-CB 3.43Å; F472-A525 HydrophobicContact CE2-CB 3.58Å; F472-A525 HydrophobicContact CG-CB 4.06Å; F472-A525 HydrophobicContact CZ-CB 4.33Å; F472-F527 AromaticContact CD1-CE1 3.99Å; F472-F527 HydrophobicContact CD1-CE1 3.99Å; F472-F527 AromaticContact CD1-CZ 3.66Å; F472-F527 HydrophobicContact CD1-CZ 3.66Å; F472-F527 HydrophobicContact CD2-CZ 4.48Å; F472-F527 HydrophobicContact CE1-CE1 4.13Å; F472-F527 HydrophobicContact CE1-CE2 4.49Å; F472-F527 AromaticContact CE1-CZ 3.46Å; F472-F527 HydrophobicContact CE1-CZ 3.46Å; F472-F527 VanDerWaalsContact CE1-CZ 3.46Å; F472-F527 HydrophobicContact CE2-CZ 4.28Å; F472-F527 HydrophobicContact CG-CZ 4.22Å; F472-F527 HydrophobicContact CZ-CE2 4.45Å; F472-F527 AromaticContact CZ-CZ 3.79Å; F472-F527 HydrophobicContact CZ-CZ 3.79Å
473	S	82.2	Confident	83.9	Confident	20 Å²	20	30.5 Å²	30.5	14%	0.14	15%	0.145	C	C	.	.			trans	-62.8	123.9	174.1	-176.7	0	0	0	0	110.9	H469 E470 Y475 Y476	H469-S473 PolarHBondContact O-N 3.01Å; E470-S473 WeakPolarHBondContact O-CB 3.45Å; E470-S473 PolarHBondContact O-N 3.02Å; S473-Y475 PolarHBondContact O-N 2.8Å; S473-Y475 WeakPolarHBondContact OG-CD2 3.45Å; S473-Y476 PolarHBondContact O-N 2.83Å
474	P	80.7	Confident	82	Confident	27 Å²	27	37.6 Å²	37.6	18%	0.175	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-61.2	-14.2	178.4	-27.8	38	0	0	0	114.7	F472 Y476 G477 F479 Y481 L489	F472-P474 WeakPolarHBondContact O-CD 3.5Å; P474-Y476 PolarHBondContact O-N 3.22Å; P474-G477 PolarHBondContact O-N 2.79Å; P474-F479 WeakPolarHBondContact CA-O 3.3Å; P474-Y481 HydrophobicContact CG-CD1 4.36Å; P474-Y481 HydrophobicContact CG-CD2 4.04Å; P474-Y481 HydrophobicContact CG-CE1 4.02Å; P474-Y481 HydrophobicContact CG-CE2 3.68Å; P474-Y481 HydrophobicContact CG-CG 4.37Å; P474-L489 HydrophobicContact CG-CD2 4.01Å
475	Y	76	Confident	79.7	Confident	140 Å²	140	40.6 Å²	40.6	55%	0.549	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-61.5	-30.6	177.2	-72.3	-64.2	0	0	0	113.4	R233 S473 G477	R233-Y475 HydrophobicContact CB-CD1 4.47Å; S473-Y475 PolarHBondContact O-N 2.8Å; S473-Y475 WeakPolarHBondContact OG-CD2 3.45Å; Y475-G477 PolarHBondContact O-N 2.93Å
476	Y	80.3	Confident	78	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.016	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-76.2	-8.3	175.7	-68.3	-73.3	0	0	0	113.2	W234 F422 E470 S473 P474 L478	W234-Y476 AromaticContact CD2-CD1 3.59Å; W234-Y476 HydrophobicContact CD2-CD1 3.59Å; W234-Y476 HydrophobicContact CD2-CE1 4.19Å; W234-Y476 AromaticContact CE2-CD1 3.61Å; W234-Y476 AromaticContact CE2-CE1 3.9Å; W234-Y476 AromaticContact CE3-CD1 3.62Å; W234-Y476 HydrophobicContact CE3-CD1 3.62Å; W234-Y476 HydrophobicContact CE3-CG 4.32Å; W234-Y476 HydrophobicContact CG-CD1 4.26Å; W234-Y476 AromaticContact CH2-CD1 3.71Å; W234-Y476 HydrophobicContact CH2-CD1 3.71Å; W234-Y476 HydrophobicContact CH2-CG 4.42Å; W234-Y476 AromaticContact CZ2-CD1 3.68Å; W234-Y476 HydrophobicContact CZ2-CD1 3.68Å; W234-Y476 HydrophobicContact CZ2-CE1 4.07Å; W234-Y476 AromaticContact CZ3-CD1 3.68Å; W234-Y476 HydrophobicContact CZ3-CD1 3.68Å; W234-Y476 HydrophobicContact CZ3-CG 4.2Å; W234-Y476 WeakPolarHBondContact CZ3-O 3.32Å; F422-Y476 HydrophobicContact CD1-CE1 4.19Å; E470-Y476 HydrophobicContact CB-CE2 4.16Å; E470-Y476 WeakPolarHBondContact O-CD2 3.26Å; E470-Y476 WeakPolarHBondContact O-CE2 3.36Å; E470-Y476 WeakPolarHBondContact OE2-CE2 3.33Å; E470-Y476 PolarHBondContact OE2-OH 3.3Å; S473-Y476 PolarHBondContact O-N 2.83Å; P474-Y476 PolarHBondContact O-N 3.22Å; Y476-L478 PolarHBondContact O-N 2.75Å; Y476-L478 VanDerWaalsContact O-N 3.16Å
477	G	85.7	Confident	76.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	69.9	6.7	178.2	0	0	0	0	0	115.1	P474 Y475 N492	P474-G477 PolarHBondContact O-N 2.79Å; Y475-G477 PolarHBondContact O-N 2.93Å; G477-N492 WeakPolarHBondContact O-CB 3.38Å; G477-N492 PolarHBondContact O-ND2 2.88Å
478	L	91.4	Very high	75.8	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	-78.9	-42.5	173.9	-61	176.8	0	0	0	111.4	F422 Y476 N492 H502 Y505 F506 I509	F422-L478 HydrophobicContact CZ-CD1 4.23Å; Y476-L478 PolarHBondContact O-N 2.75Å; Y476-L478 VanDerWaalsContact O-N 3.16Å; L478-N492 WeakPolarHBondContact O-CB 3.16Å; L478-N492 PolarHBondContact O-N 2.86Å; L478-H502 HydrophobicContact CD2-CB 3.98Å; L478-Y505 HydrophobicContact CD1-CG 4.26Å; L478-F506 HydrophobicContact CB-CE1 4.46Å; L478-F506 HydrophobicContact CB-CZ 4.05Å; L478-F506 HydrophobicContact CD2-CE2 4Å; L478-F506 HydrophobicContact CD2-CZ 4.26Å; L478-F506 WeakPolarHBondContact O-CZ 3.39Å; L478-I509 HydrophobicContact CD1-CD1 3.83Å
479	F	91.1	Very high	75.4	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	160.3	175.4	-64.4	-88.2	0	0	0	110.5	F472 P474 L489 Q490 I491 F506 I509 F527 F531	F472-F479 AromaticContact CD1-CD2 3.87Å; F472-F479 HydrophobicContact CD1-CD2 3.87Å; F472-F479 AromaticContact CD1-CE2 3.52Å; F472-F479 HydrophobicContact CD1-CE2 3.52Å; F472-F479 AromaticContact CD1-CZ 3.91Å; F472-F479 HydrophobicContact CD1-CZ 3.91Å; F472-F479 AromaticContact CE1-CE2 3.81Å; F472-F479 HydrophobicContact CE1-CE2 3.81Å; F472-F479 AromaticContact CE1-CZ 3.9Å; F472-F479 HydrophobicContact CE1-CZ 3.9Å; P474-F479 WeakPolarHBondContact CA-O 3.3Å; F479-L489 HydrophobicContact CB-CD2 4.33Å; F479-Q490 CarbonylContact C-O 3.49Å; F479-Q490 VanDerWaalsContact CA-O 3.28Å; F479-Q490 WeakPolarHBondContact CA-O 3.46Å; F479-Q490 WeakPolarHBondContact CD1-O 3.42Å; F479-I491 HydrophobicContact CD1-CG1 4.27Å; F479-I491 HydrophobicContact CE1-CG1 3.82Å; F479-F506 HydrophobicContact CE1-CE1 4.43Å; F479-F506 HydrophobicContact CE2-CE1 4.28Å; F479-F506 HydrophobicContact CZ-CE1 4.03Å; F479-I509 HydrophobicContact CE2-CD1 3.66Å; F479-I509 HydrophobicContact CZ-CD1 4.24Å; F479-I509 HydrophobicContact CZ-CG2 4.34Å; F479-F527 HydrophobicContact CD1-CD1 4.46Å; F479-F527 AromaticContact CD1-CE1 3.91Å; F479-F527 HydrophobicContact CD1-CE1 3.91Å; F479-F527 HydrophobicContact CE1-CD1 4.26Å; F479-F527 AromaticContact CE1-CE1 3.57Å; F479-F527 HydrophobicContact CE1-CE1 3.57Å; F479-F527 HydrophobicContact CE1-CZ 4.43Å; F479-F527 HydrophobicContact CZ-CE1 4.13Å; F479-F531 HydrophobicContact CE1-CE2 4.22Å
480	E	84.6	Confident	75.5	Confident	61 Å²	61	45.1 Å²	45.1	29%	0.285	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.3	173.2	64.6	-175.9	-168.1	0	0	109.9	L489 Q490 N492	E480-L489 WeakPolarHBondContact O-CA 3.29Å; E480-Q490 HydrophobicContact CG-CG 3.63Å; E480-Q490 PolarHBondContact N-O 3.01Å; E480-Q490 PolarHBondContact O-N 3.33Å; E480-Q490 PolarHBondContact OE1-NE2 2.86Å; E480-N492 HydrophobicContact CB-CB 4.4Å; E480-N492 HydrophobicContact CG-CB 4.35Å
481	Y	77.7	Confident	75.8	Confident	111 Å²	111	43.8 Å²	43.8	44%	0.435	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.1	169.1	-63.6	-56.5	0	0	0	109.7	P474 A483 Y487 T488 L489	P474-Y481 HydrophobicContact CG-CD1 4.36Å; P474-Y481 HydrophobicContact CG-CD2 4.04Å; P474-Y481 HydrophobicContact CG-CE1 4.02Å; P474-Y481 HydrophobicContact CG-CE2 3.68Å; P474-Y481 HydrophobicContact CG-CG 4.37Å; Y481-A483 VanDerWaalsContact C-N 3.33Å; Y481-Y487 HydrophobicContact CD1-CD1 4.29Å; Y481-Y487 AromaticContact CE1-CD1 3.87Å; Y481-Y487 HydrophobicContact CE1-CD1 3.87Å; Y481-Y487 HydrophobicContact CE2-CD1 4.3Å; Y481-Y487 AromaticContact CZ-CD1 3.88Å; Y481-T488 WeakPolarHBondContact CA-O 3.1Å; Y481-L489 HydrophobicContact CD1-CD2 3.83Å; Y481-L489 HydrophobicContact CE1-CD2 3.81Å
482	S	66.2	Low	75.8	Confident	14 Å²	14	44 Å²	44	10%	0.098	22%	0.219	C	C	.	.	S	Bend	trans	-72.3	-29.9	-174.7	75.7	0	0	0	0	113.1	T488 I528	S482-T488 PolarHBondContact N-O 2.8Å; S482-T488 PolarHBondContact OG-OG1 3.03Å; S482-I528 WeakPolarHBondContact OG-CG2 3.42Å
483	A	56.8	Low	75.9	Confident	27 Å²	27	44.8 Å²	44.8	22%	0.223	22%	0.224	C	C	.	.	S	Bend	trans	-146.3	165	172	0	0	0	0	0	110.2	Y481 D485 N486	Y481-A483 VanDerWaalsContact C-N 3.33Å; A483-D485 WeakPolarHBondContact CB-OD1 3.27Å; A483-D485 PolarHBondContact O-N 3.29Å; A483-N486 HydrophobicContact CB-CB 4.38Å
484	T	50.2	Low	76.1	Confident	149 Å²	149	46.3 Å²	46.3	91%	0.914	23%	0.231	S	C	*	.	S	Bend	trans	-66.8	-19.4	-178.5	49.1	0	0	0	0	113.7
485	D	43.8	Very low	76.6	Confident	65 Å²	65	45 Å²	45	35%	0.348	22%	0.222	S	C	.	.	S	Bend	trans	-112.6	-21.2	-167.8	73.8	-46.1	0	0	0	111.9	R78 A483	R78-D485 VanDerWaalsContact CZ-CB 3.44Å; R78-D485 IonicContact CZ-OD2 3.19Å; R78-D485 VanDerWaalsContact CZ-OD2 3.25Å; R78-D485 VanDerWaalsContact NH1-CB 3.28Å; R78-D485 IonicContact NH1-OD2 2.67Å; R78-D485 PolarHBondContact NH1-OD2 2.91Å; R78-D485 VanDerWaalsContact NH2-C 3.26Å; R78-D485 VanDerWaalsContact NH2-CB 3.29Å; R78-D485 PolarHBondContact NH2-O 3.29Å; R78-D485 IonicContact NH2-OD2 3.24Å; R78-D485 PolarHBondContact NH2-OD2 2.86Å; A483-D485 WeakPolarHBondContact CB-OD1 3.27Å; A483-D485 PolarHBondContact O-N 3.29Å
486	N	48.8	Very low	77	Confident	52 Å²	52	39.4 Å²	39.4	28%	0.278	21%	0.207	S	C	.	.			trans	-109.1	113.3	176.7	-68.1	-18.3	0	0	0	110	R78 A483 T488	R78-N486 PolarHBondContact NH2-OD1 3.35Å; A483-N486 HydrophobicContact CB-CB 4.38Å; N486-T488 PolarHBondContact O-N 3.38Å
487	Y	63.1	Low	76.9	Confident	172 Å²	172	41.2 Å²	41.2	68%	0.675	22%	0.217	S	C	*	.			trans	-71.7	22.1	174.2	-62.7	-76.4	0	0	0	113.7	Y481	Y481-Y487 HydrophobicContact CD1-CD1 4.29Å; Y481-Y487 AromaticContact CE1-CD1 3.87Å; Y481-Y487 HydrophobicContact CE1-CD1 3.87Å; Y481-Y487 HydrophobicContact CE2-CD1 4.3Å; Y481-Y487 AromaticContact CZ-CD1 3.88Å
488	T	70.8	Confident	76.3	Confident	40 Å²	40	41.5 Å²	41.5	25%	0.245	22%	0.219	C	C	.	.			trans	-78	141	172.1	55	0	0	0	0	109.7	Y481 S482 N486 F526	Y481-T488 WeakPolarHBondContact CA-O 3.1Å; S482-T488 PolarHBondContact N-O 2.8Å; S482-T488 PolarHBondContact OG-OG1 3.03Å; N486-T488 PolarHBondContact O-N 3.38Å; T488-F526 CarbonylContact C-O 3.58Å; T488-F526 WeakPolarHBondContact CA-O 3.47Å
489	L	83.5	Confident	75.5	Confident	12 Å²	12	42.6 Å²	42.6	6%	0.063	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.7	-172.7	-64.7	167	0	0	0	111.2	F472 P474 F479 E480 Y481 F526 F527 I528	F472-L489 HydrophobicContact CB-CD1 3.67Å; F472-L489 HydrophobicContact CG-CD1 4.41Å; P474-L489 HydrophobicContact CG-CD2 4.01Å; F479-L489 HydrophobicContact CB-CD2 4.33Å; E480-L489 WeakPolarHBondContact O-CA 3.29Å; Y481-L489 HydrophobicContact CD1-CD2 3.83Å; Y481-L489 HydrophobicContact CE1-CD2 3.81Å; L489-F526 PolarHBondContact N-O 2.91Å; L489-F527 HydrophobicContact CB-CD1 3.84Å; L489-F527 HydrophobicContact CB-CE1 4.11Å; L489-F527 HydrophobicContact CD1-CE1 4.42Å; L489-F527 VanDerWaalsContact O-CA 3.31Å; L489-F527 WeakPolarHBondContact O-CA 3.16Å; L489-I528 PolarHBondContact O-N 3.42Å
490	Q	86.5	Confident	75.1	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	158	167.2	70.9	-173.5	14.1	0	0	109.6	F479 E480 N492 I528	F479-Q490 CarbonylContact C-O 3.49Å; F479-Q490 VanDerWaalsContact CA-O 3.28Å; F479-Q490 WeakPolarHBondContact CA-O 3.46Å; F479-Q490 WeakPolarHBondContact CD1-O 3.42Å; E480-Q490 HydrophobicContact CG-CG 3.63Å; E480-Q490 PolarHBondContact N-O 3.01Å; E480-Q490 PolarHBondContact O-N 3.33Å; E480-Q490 PolarHBondContact OE1-NE2 2.86Å; Q490-N492 PolarHBondContact O-N 2.83Å; Q490-I528 HydrophobicContact CB-CD1 3.6Å; Q490-I528 HydrophobicContact CB-CG1 3.93Å; Q490-I528 HydrophobicContact CB-CG2 4.49Å
491	I	93.7	Very high	75.2	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130.7	173.1	-66.7	177.1	0	0	0	108.2	F479 P493 F506 F531 V616 Q619 M620	F479-I491 HydrophobicContact CD1-CG1 4.27Å; F479-I491 HydrophobicContact CE1-CG1 3.82Å; I491-P493 WeakPolarHBondContact O-CD 3.37Å; I491-F506 HydrophobicContact CD1-CE1 4.24Å; I491-F506 HydrophobicContact CG1-CE1 3.99Å; I491-F506 HydrophobicContact CG2-CE1 3.97Å; I491-F506 HydrophobicContact CG2-CZ 3.71Å; I491-F531 HydrophobicContact CD1-CD2 4.45Å; I491-F531 HydrophobicContact CD1-CE2 4Å; I491-F531 HydrophobicContact CG1-CD2 4.33Å; I491-F531 HydrophobicContact CG1-CE2 3.99Å; I491-V616 HydrophobicContact CB-CB 4.11Å; I491-V616 HydrophobicContact CB-CG1 3.88Å; I491-V616 HydrophobicContact CD1-CB 4.45Å; I491-V616 HydrophobicContact CG2-CB 3.88Å; I491-V616 HydrophobicContact CG2-CG1 3.67Å; I491-Q619 HydrophobicContact CD1-CB 4.14Å; I491-Q619 HydrophobicContact CG2-CB 3.72Å; I491-Q619 HydrophobicContact CG2-CG 3.88Å; I491-M620 HydrophobicContact CD1-CB 4.4Å; I491-M620 HydrophobicContact CD1-CE 3.95Å
492	N	90.3	Very high	75.9	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.027	26%	0.255	C	S	.	.			trans	-70.1	114.5	169.7	177.6	5.1	0	0	0	109	G477 L478 E480 Q490 N494 S495	G477-N492 WeakPolarHBondContact O-CB 3.38Å; G477-N492 PolarHBondContact O-ND2 2.88Å; L478-N492 WeakPolarHBondContact O-CB 3.16Å; L478-N492 PolarHBondContact O-N 2.86Å; E480-N492 HydrophobicContact CB-CB 4.4Å; E480-N492 HydrophobicContact CG-CB 4.35Å; Q490-N492 PolarHBondContact O-N 2.83Å; N492-N494 PolarHBondContact O-N 3.02Å; N492-N494 VanDerWaalsContact O-N 3.15Å; N492-N494 WeakPolarHBondContact OD1-CA 3.48Å; N492-N494 WeakPolarHBondContact OD1-CB 3.38Å; N492-N494 PolarHBondContact OD1-N 3.45Å; N492-S495 VanDerWaalsContact O-CB 3.29Å; N492-S495 WeakPolarHBondContact O-CB 3.31Å; N492-S495 PolarHBondContact O-N 3.22Å; N492-S495 VanDerWaalsContact O-N 3.11Å; N492-S495 PolarHBondContact O-OG 2.92Å
493	P	90.2	Very high	77.4	Confident	22 Å²	22	50.1 Å²	50.1	14%	0.143	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.5	176.6	-25.6	37.1	0	0	0	113.3	I491 S495 R615 V616 Q619	I491-P493 WeakPolarHBondContact O-CD 3.37Å; P493-S495 VanDerWaalsContact C-N 3.3Å; P493-S495 PolarHBondContact O-N 3.14Å; P493-R615 HydrophobicContact CB-CB 4.06Å; P493-R615 HydrophobicContact CG-CB 4.31Å; P493-V616 HydrophobicContact CB-CG1 4.28Å; P493-V616 HydrophobicContact CG-CG1 3.97Å; P493-Q619 PolarHBondContact O-NE2 2.99Å
494	N	87	Confident	79.3	Confident	52 Å²	52	50 Å²	50	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	13.8	-175.7	-69.2	-35.9	0	0	0	112.9	N492 G496 L497 F578	N492-N494 PolarHBondContact O-N 3.02Å; N492-N494 VanDerWaalsContact O-N 3.15Å; N492-N494 WeakPolarHBondContact OD1-CA 3.48Å; N492-N494 WeakPolarHBondContact OD1-CB 3.38Å; N492-N494 PolarHBondContact OD1-N 3.45Å; N494-G496 VanDerWaalsContact C-N 3.25Å; N494-G496 PolarHBondContact O-N 3.12Å; N494-L497 HydrophobicContact CB-CD1 3.83Å; N494-L497 WeakPolarHBondContact O-CB 3.41Å; N494-L497 PolarHBondContact O-N 3.07Å; N494-F578 HydrophobicContact CB-CZ 4.41Å
495	S	89.8	Confident	81.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-34.3	-179.7	43.2	0	0	0	0	113.9	N492 P493 L497 C498 N499 H502 F506 Q619	N492-S495 VanDerWaalsContact O-CB 3.29Å; N492-S495 WeakPolarHBondContact O-CB 3.31Å; N492-S495 PolarHBondContact O-N 3.22Å; N492-S495 VanDerWaalsContact O-N 3.11Å; N492-S495 PolarHBondContact O-OG 2.92Å; P493-S495 VanDerWaalsContact C-N 3.3Å; P493-S495 PolarHBondContact O-N 3.14Å; S495-L497 PolarHBondContact O-N 2.85Å; S495-C498 WeakPolarHBondContact O-CB 3.5Å; S495-C498 PolarHBondContact O-N 2.95Å; S495-C498 VanDerWaalsContact O-N 3.14Å; S495-N499 PolarHBondContact O-N 2.81Å; S495-N499 VanDerWaalsContact O-N 3.16Å; S495-H502 WeakPolarHBondContact CB-ND1 3.3Å; S495-H502 PolarHBondContact OG-ND1 3.41Å; S495-F506 WeakPolarHBondContact OG-CE2 3.45Å; S495-Q619 WeakPolarHBondContact OG-CG 3.28Å; S495-Q619 PolarHBondContact OG-NE2 2.78Å; S495-Q619 VanDerWaalsContact OG-NE2 3.11Å
496	G	86.5	Confident	84	Confident	22 Å²	22	41.1 Å²	41.1	23%	0.227	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-14.1	178.3	0	0	0	0	0	114.7	N494 H502	N494-G496 VanDerWaalsContact C-N 3.25Å; N494-G496 PolarHBondContact O-N 3.12Å; G496-H502 WeakPolarHBondContact CA-CD2 3.38Å; G496-H502 WeakPolarHBondContact CA-NE2 3.37Å; G496-H502 PolarHBondContact N-CE1 2.86Å; G496-H502 PolarHBondContact N-ND1 3.12Å
497	L	78.1	Confident	86.4	Confident	42 Å²	42	41.8 Å²	41.8	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-86.5	-29.8	174.8	-56.2	166.1	0	0	0	112.1	W223 R227 N494 S495 F578	W223-L497 HydrophobicContact CE3-CD1 3.55Å; W223-L497 HydrophobicContact CE3-CD2 3.57Å; W223-L497 HydrophobicContact CE3-CG 4.12Å; W223-L497 HydrophobicContact CH2-CD1 4.25Å; W223-L497 HydrophobicContact CZ3-CD1 3.18Å; W223-L497 HydrophobicContact CZ3-CD2 3.46Å; W223-L497 VanDerWaalsContact CZ3-CD2 3.46Å; W223-L497 HydrophobicContact CZ3-CG 3.88Å; R227-L497 WeakPolarHBondContact CG-O 3.47Å; R227-L497 PolarHBondContact NE-O 3.46Å; N494-L497 HydrophobicContact CB-CD1 3.83Å; N494-L497 WeakPolarHBondContact O-CB 3.41Å; N494-L497 PolarHBondContact O-N 3.07Å; S495-L497 PolarHBondContact O-N 2.85Å; L497-F578 HydrophobicContact CD1-CE2 3.43Å; L497-F578 VanDerWaalsContact CD1-CE2 3.43Å; L497-F578 HydrophobicContact CD1-CZ 3.37Å
498	C	72.5	Confident	88	Confident	7 Å²	7	33.6 Å²	33.6	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-74.4	-39.4	177.9	-54.5	0	0	0	0	109.7	F230 S495	F230-C498 HydrophobicContact CB-CB 4.09Å; F230-C498 HydrophobicContact CG-CB 4.28Å; F230-C498 WeakPolarHBondContact CG-SG 3.49Å; S495-C498 WeakPolarHBondContact O-CB 3.5Å; S495-C498 PolarHBondContact O-N 2.95Å; S495-C498 VanDerWaalsContact O-N 3.14Å
499	N	75.3	Confident	89.3	Confident	25 Å²	25	31.7 Å²	31.7	13%	0.134	17%	0.169	C	C	.	.			trans	-148.7	120.6	-175.5	-169.2	-34.4	0	0	0	110.5	S495 E501 H502 Y505	S495-N499 PolarHBondContact O-N 2.81Å; S495-N499 VanDerWaalsContact O-N 3.16Å; N499-E501 PolarHBondContact O-N 2.74Å; N499-E501 WeakPolarHBondContact OD1-CA 3.4Å; N499-E501 WeakPolarHBondContact OD1-CB 3.07Å; N499-E501 PolarHBondContact OD1-N 2.86Å; N499-H502 HydrophobicContact CB-CB 4.35Å; N499-H502 VanDerWaalsContact O-CB 3.23Å; N499-H502 WeakPolarHBondContact O-CB 3.49Å; N499-H502 PolarHBondContact O-N 2.9Å; N499-Y505 WeakPolarHBondContact ND2-CE2 3.45Å
500	D	82.4	Confident	90	Very high	126 Å²	126	31.1 Å²	31.1	67%	0.674	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.4	179	-63.9	-50.3	0	0	0	112.1	R227 H502	R227-D500 IonicContact CZ-OD1 3.42Å; R227-D500 IonicContact NH2-OD1 2.98Å; R227-D500 PolarHBondContact NH2-OD1 3.22Å; R227-D500 IonicContact NH2-OD2 3.74Å; R227-D500 PolarHBondContact NH2-OD2 3.26Å; D500-H502 VanDerWaalsContact C-N 3.33Å
501	E	86.4	Confident	90.6	Very high	127 Å²	127	30.7 Å²	30.7	59%	0.593	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	12.7	176.8	-58.7	-171.6	166.4	0	0	112.9	N499 L503 G504 Y505	N499-E501 PolarHBondContact O-N 2.74Å; N499-E501 WeakPolarHBondContact OD1-CA 3.4Å; N499-E501 WeakPolarHBondContact OD1-CB 3.07Å; N499-E501 PolarHBondContact OD1-N 2.86Å; E501-L503 PolarHBondContact O-N 2.8Å; E501-L503 VanDerWaalsContact O-N 3.08Å; E501-G504 WeakPolarHBondContact O-CA 3.27Å; E501-G504 PolarHBondContact O-N 3.34Å; E501-Y505 HydrophobicContact CB-CE2 4.27Å; E501-Y505 WeakPolarHBondContact O-CD2 3.41Å; E501-Y505 PolarHBondContact O-N 3.14Å
502	H	93.1	Very high	90.8	Very high	22 Å²	22	30.4 Å²	30.4	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-52.5	-36.6	-175.2	76.6	126.8	0	0	0	113.8	L478 S495 G496 N499 D500 G504 Y505 F506	L478-H502 HydrophobicContact CD2-CB 3.98Å; S495-H502 WeakPolarHBondContact CB-ND1 3.3Å; S495-H502 PolarHBondContact OG-ND1 3.41Å; G496-H502 WeakPolarHBondContact CA-CD2 3.38Å; G496-H502 WeakPolarHBondContact CA-NE2 3.37Å; G496-H502 PolarHBondContact N-CE1 2.86Å; G496-H502 PolarHBondContact N-ND1 3.12Å; N499-H502 HydrophobicContact CB-CB 4.35Å; N499-H502 VanDerWaalsContact O-CB 3.23Å; N499-H502 WeakPolarHBondContact O-CB 3.49Å; N499-H502 PolarHBondContact O-N 2.9Å; D500-H502 VanDerWaalsContact C-N 3.33Å; H502-G504 VanDerWaalsContact C-N 3.27Å; H502-G504 PolarHBondContact O-N 3.14Å; H502-Y505 CarbonylContact O-C 3.58Å; H502-Y505 WeakPolarHBondContact O-CA 3.5Å; H502-Y505 WeakPolarHBondContact O-CB 3.41Å; H502-Y505 PolarHBondContact O-N 2.88Å; H502-F506 HydrophobicContact CB-CE2 4.38Å; H502-F506 AromaticContact ND1-CE2 3.72Å; H502-F506 WeakPolarHBondContact O-CD2 3.36Å; H502-F506 PolarHBondContact O-N 3.02Å
503	L	96.8	Very high	91.1	Very high	70 Å²	70	30.2 Å²	30.2	37%	0.366	16%	0.162	S	C	.	.	H	α-helix	trans	-63.4	-34.6	176.9	-61.6	-175.8	0	0	0	112	E501 Y505 F506 R507 D618 Q619 A622	E501-L503 PolarHBondContact O-N 2.8Å; E501-L503 VanDerWaalsContact O-N 3.08Å; L503-Y505 VanDerWaalsContact C-N 3.32Å; L503-F506 PolarHBondContact O-N 2.79Å; L503-R507 PolarHBondContact O-N 2.84Å; L503-D618 HydrophobicContact CD2-CB 4.06Å; L503-Q619 HydrophobicContact CD2-CG 4.31Å; L503-A622 HydrophobicContact CB-CB 4.22Å; L503-A622 HydrophobicContact CD2-CB 4.31Å; L503-A622 WeakPolarHBondContact O-CB 3.31Å
504	G	95.7	Very high	91.4	Very high	25 Å²	25	29.1 Å²	29.1	26%	0.258	16%	0.155	S	C	.	.	H	α-helix	trans	-61.8	-41	172.1	0	0	0	0	0	111.7	E501 H502 R507 F508	E501-G504 WeakPolarHBondContact O-CA 3.27Å; E501-G504 PolarHBondContact O-N 3.34Å; H502-G504 VanDerWaalsContact C-N 3.27Å; H502-G504 PolarHBondContact O-N 3.14Å; G504-R507 PolarHBondContact O-N 3.45Å; G504-F508 PolarHBondContact O-N 3.34Å
505	Y	95.9	Very high	91.8	Very high	28 Å²	28	26.7 Å²	26.7	11%	0.11	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-42.7	173.2	-69.2	-79.7	0	0	0	112.5	W234 F422 F426 L478 N499 E501 H502 L503 R507 F508 I509	W234-Y505 HydrophobicContact CH2-CD1 4.49Å; W234-Y505 HydrophobicContact CH2-CE1 4.09Å; W234-Y505 HydrophobicContact CH2-CE2 4.23Å; W234-Y505 AromaticContact CH2-CZ 3.92Å; W234-Y505 HydrophobicContact CZ2-CE1 4.25Å; F422-Y505 AromaticContact CE1-CD1 3.7Å; F422-Y505 HydrophobicContact CE1-CD1 3.7Å; F422-Y505 AromaticContact CE1-CE1 3.63Å; F422-Y505 HydrophobicContact CE1-CE1 3.63Å; F422-Y505 AromaticContact CZ-CD1 3.75Å; F422-Y505 HydrophobicContact CZ-CD1 3.75Å; F422-Y505 HydrophobicContact CZ-CE1 4.17Å; F426-Y505 HydrophobicContact CD1-CE1 4.34Å; F426-Y505 AromaticContact CD2-CD1 3.56Å; F426-Y505 HydrophobicContact CD2-CD1 3.56Å; F426-Y505 AromaticContact CD2-CE1 3.67Å; F426-Y505 HydrophobicContact CD2-CE1 3.67Å; F426-Y505 HydrophobicContact CD2-CG 4.44Å; F426-Y505 HydrophobicContact CE1-CE1 4.42Å; F426-Y505 AromaticContact CE2-CD1 3.57Å; F426-Y505 HydrophobicContact CE2-CD1 3.57Å; F426-Y505 AromaticContact CE2-CE1 3.77Å; F426-Y505 HydrophobicContact CE2-CE1 3.77Å; F426-Y505 HydrophobicContact CE2-CG 4.03Å; F426-Y505 HydrophobicContact CG-CD1 4.32Å; F426-Y505 AromaticContact CG-CE1 3.98Å; F426-Y505 HydrophobicContact CG-CE1 3.98Å; F426-Y505 HydrophobicContact CZ-CD1 4.31Å; F426-Y505 HydrophobicContact CZ-CE1 4.15Å; L478-Y505 HydrophobicContact CD1-CG 4.26Å; N499-Y505 WeakPolarHBondContact ND2-CE2 3.45Å; E501-Y505 HydrophobicContact CB-CE2 4.27Å; E501-Y505 WeakPolarHBondContact O-CD2 3.41Å; E501-Y505 PolarHBondContact O-N 3.14Å; H502-Y505 CarbonylContact O-C 3.58Å; H502-Y505 WeakPolarHBondContact O-CA 3.5Å; H502-Y505 WeakPolarHBondContact O-CB 3.41Å; H502-Y505 PolarHBondContact O-N 2.88Å; L503-Y505 VanDerWaalsContact C-N 3.32Å; Y505-R507 VanDerWaalsContact C-N 3.32Å; Y505-R507 PolarHBondContact O-N 2.88Å; Y505-F508 CarbonylContact O-C 3.55Å; Y505-F508 WeakPolarHBondContact O-CA 3.2Å; Y505-F508 WeakPolarHBondContact O-CB 3.41Å; Y505-F508 PolarHBondContact O-N 3.24Å; Y505-F508 VanDerWaalsContact O-N 3.13Å; Y505-I509 WeakPolarHBondContact O-CD1 3.3Å; Y505-I509 WeakPolarHBondContact O-CG1 3.27Å; Y505-I509 PolarHBondContact O-N 3.03Å
506	F	98.2	Very high	92	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-40.6	174.4	-77.2	-69.3	0	0	0	112.1	L478 F479 I491 S495 H502 L503 F508 I509 G510 Q619 A622 L623	L478-F506 HydrophobicContact CB-CE1 4.46Å; L478-F506 HydrophobicContact CB-CZ 4.05Å; L478-F506 HydrophobicContact CD2-CE2 4Å; L478-F506 HydrophobicContact CD2-CZ 4.26Å; L478-F506 WeakPolarHBondContact O-CZ 3.39Å; F479-F506 HydrophobicContact CE1-CE1 4.43Å; F479-F506 HydrophobicContact CE2-CE1 4.28Å; F479-F506 HydrophobicContact CZ-CE1 4.03Å; I491-F506 HydrophobicContact CD1-CE1 4.24Å; I491-F506 HydrophobicContact CG1-CE1 3.99Å; I491-F506 HydrophobicContact CG2-CE1 3.97Å; I491-F506 HydrophobicContact CG2-CZ 3.71Å; S495-F506 WeakPolarHBondContact OG-CE2 3.45Å; H502-F506 HydrophobicContact CB-CE2 4.38Å; H502-F506 AromaticContact ND1-CE2 3.72Å; H502-F506 WeakPolarHBondContact O-CD2 3.36Å; H502-F506 PolarHBondContact O-N 3.02Å; L503-F506 PolarHBondContact O-N 2.79Å; F506-F508 VanDerWaalsContact C-N 3.35Å; F506-F508 PolarHBondContact O-N 3.08Å; F506-I509 HydrophobicContact CD1-CD1 4.09Å; F506-I509 HydrophobicContact CE1-CD1 4.44Å; F506-I509 WeakPolarHBondContact O-CB 3.48Å; F506-I509 PolarHBondContact O-N 3.33Å; F506-G510 PolarHBondContact O-N 3.26Å; F506-Q619 HydrophobicContact CD1-CB 4.21Å; F506-Q619 HydrophobicContact CD2-CB 3.68Å; F506-Q619 HydrophobicContact CD2-CG 3.65Å; F506-Q619 HydrophobicContact CE1-CB 4.22Å; F506-Q619 HydrophobicContact CE2-CB 3.7Å; F506-Q619 HydrophobicContact CE2-CG 3.33Å; F506-Q619 HydrophobicContact CG-CB 3.96Å; F506-Q619 HydrophobicContact CG-CG 4.43Å; F506-Q619 HydrophobicContact CZ-CB 3.96Å; F506-Q619 HydrophobicContact CZ-CG 3.87Å; F506-A622 HydrophobicContact CB-CB 3.93Å; F506-L623 HydrophobicContact CB-CB 4.34Å; F506-L623 HydrophobicContact CD1-CD1 4.43Å; F506-L623 VanDerWaalsContact O-CA 3.29Å; F506-L623 WeakPolarHBondContact O-CA 3.5Å
507	R	97.9	Very high	92.4	Very high	65 Å²	65	26 Å²	26	25%	0.245	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-42.5	172.1	-177.8	174.2	174.9	-109.1	-1.1	112	M430 L503 G504 Y505 G510 R511 A622 E629	M430-R507 HydrophobicContact CE-CB 4.44Å; M430-R507 HydrophobicContact CE-CG 4.3Å; L503-R507 PolarHBondContact O-N 2.84Å; G504-R507 PolarHBondContact O-N 3.45Å; Y505-R507 VanDerWaalsContact C-N 3.32Å; Y505-R507 PolarHBondContact O-N 2.88Å; R507-G510 PolarHBondContact O-N 3.02Å; R507-R511 WeakPolarHBondContact O-CG 3.36Å; R507-R511 PolarHBondContact O-N 2.97Å; R507-A622 VanDerWaalsContact CA-O 3.31Å; R507-A622 WeakPolarHBondContact CA-O 3.24Å; R507-E629 IonicContact CZ-OE1 2.8Å; R507-E629 VanDerWaalsContact CZ-OE1 3.27Å; R507-E629 IonicContact NE-OE1 2.86Å; R507-E629 PolarHBondContact NE-OE1 2.93Å; R507-E629 IonicContact NH2-OE1 2.92Å; R507-E629 PolarHBondContact NH2-OE1 3.3Å; R507-E629 IonicContact NH2-OE2 2.64Å
508	F	97.8	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-49.7	173.4	163.4	-109.7	0	0	0	112	F422 F426 I429 M430 L467 G504 Y505 F506 G510 R511 I512	F422-F508 HydrophobicContact CD2-CE1 4.29Å; F422-F508 HydrophobicContact CE2-CD1 4.41Å; F422-F508 AromaticContact CE2-CE1 3.86Å; F422-F508 HydrophobicContact CE2-CE1 3.86Å; F422-F508 HydrophobicContact CZ-CE1 4.33Å; F426-F508 VanDerWaalsContact CA-CE2 3.46Å; F426-F508 HydrophobicContact CB-CD1 4.42Å; F426-F508 HydrophobicContact CB-CD2 4.44Å; F426-F508 HydrophobicContact CB-CE1 4.28Å; F426-F508 HydrophobicContact CB-CE2 4.32Å; F426-F508 HydrophobicContact CB-CG 4.49Å; F426-F508 HydrophobicContact CB-CZ 4.22Å; F426-F508 HydrophobicContact CD2-CB 3.58Å; F426-F508 AromaticContact CD2-CD1 3.73Å; F426-F508 HydrophobicContact CD2-CD1 3.73Å; F426-F508 HydrophobicContact CD2-CD2 4.07Å; F426-F508 HydrophobicContact CD2-CE1 4.4Å; F426-F508 AromaticContact CD2-CG 3.51Å; F426-F508 HydrophobicContact CD2-CG 3.51Å; F426-F508 HydrophobicContact CE2-CB 3.74Å; F426-F508 HydrophobicContact CE2-CG 4.21Å; F426-F508 HydrophobicContact CG-CG 4.42Å; I429-F508 HydrophobicContact CB-CD2 3.99Å; I429-F508 HydrophobicContact CB-CE2 3.85Å; I429-F508 HydrophobicContact CG1-CE2 4.04Å; I429-F508 HydrophobicContact CG2-CD2 4.02Å; I429-F508 HydrophobicContact CG2-CE2 4.22Å; M430-F508 HydrophobicContact CG-CB 3.92Å; M430-F508 HydrophobicContact CG-CD2 4.13Å; M430-F508 HydrophobicContact CG-CG 4.4Å; M430-F508 HydrophobicContact SD-CB 3.75Å; M430-F508 HydrophobicContact SD-CD2 4.49Å; L467-F508 HydrophobicContact CD1-CE1 4.42Å; L467-F508 HydrophobicContact CD1-CZ 4.12Å; L467-F508 HydrophobicContact CD2-CZ 4.11Å; G504-F508 PolarHBondContact O-N 3.34Å; Y505-F508 CarbonylContact O-C 3.55Å; Y505-F508 WeakPolarHBondContact O-CA 3.2Å; Y505-F508 WeakPolarHBondContact O-CB 3.41Å; Y505-F508 PolarHBondContact O-N 3.24Å; Y505-F508 VanDerWaalsContact O-N 3.13Å; F506-F508 VanDerWaalsContact C-N 3.35Å; F506-F508 PolarHBondContact O-N 3.08Å; F508-G510 VanDerWaalsContact C-N 3.27Å; F508-G510 PolarHBondContact O-N 2.96Å; F508-R511 WeakPolarHBondContact O-CA 3.5Å; F508-R511 WeakPolarHBondContact O-CB 3.16Å; F508-R511 PolarHBondContact O-N 3.46Å; F508-I512 HydrophobicContact CD2-CD1 4.47Å; F508-I512 HydrophobicContact CD2-CG1 4.04Å; F508-I512 HydrophobicContact CE1-CG1 4.21Å; F508-I512 HydrophobicContact CE2-CD1 3.68Å; F508-I512 HydrophobicContact CE2-CG1 3.54Å; F508-I512 HydrophobicContact CZ-CD1 4Å; F508-I512 HydrophobicContact CZ-CG1 3.65Å; F508-I512 WeakPolarHBondContact O-CG1 3.44Å; F508-I512 PolarHBondContact O-N 3.38Å
509	I	98	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.9	-46.4	175.6	-66.7	160.3	0	0	0	110.2	M471 F472 L478 F479 Y505 F506 R511 I512 M513 L623	M471-I509 HydrophobicContact CG-CD1 4.33Å; M471-I509 HydrophobicContact CG-CG1 3.73Å; M471-I509 HydrophobicContact CG-CG2 4.37Å; M471-I509 HydrophobicContact SD-CB 3.81Å; M471-I509 HydrophobicContact SD-CG1 3.5Å; M471-I509 WeakPolarHBondContact SD-CG1 3.39Å; M471-I509 HydrophobicContact SD-CG2 3.63Å; F472-I509 HydrophobicContact CE1-CG2 3.85Å; F472-I509 HydrophobicContact CZ-CG2 4.3Å; L478-I509 HydrophobicContact CD1-CD1 3.83Å; F479-I509 HydrophobicContact CE2-CD1 3.66Å; F479-I509 HydrophobicContact CZ-CD1 4.24Å; F479-I509 HydrophobicContact CZ-CG2 4.34Å; Y505-I509 WeakPolarHBondContact O-CD1 3.3Å; Y505-I509 WeakPolarHBondContact O-CG1 3.27Å; Y505-I509 PolarHBondContact O-N 3.03Å; F506-I509 HydrophobicContact CD1-CD1 4.09Å; F506-I509 HydrophobicContact CE1-CD1 4.44Å; F506-I509 WeakPolarHBondContact O-CB 3.48Å; F506-I509 PolarHBondContact O-N 3.33Å; I509-R511 PolarHBondContact O-N 3.41Å; I509-I512 PolarHBondContact O-N 3.16Å; I509-M513 HydrophobicContact CG2-CE 3.87Å; I509-M513 HydrophobicContact CG2-SD 4.34Å; I509-M513 WeakPolarHBondContact O-CG 3.47Å; I509-M513 PolarHBondContact O-N 3.42Å; I509-L623 HydrophobicContact CG2-CD1 3.95Å
510	G	98.3	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56	-47.5	174.3	0	0	0	0	0	112.7	F506 R507 F508 I512 M513 G514 L623 G626 L627	F506-G510 PolarHBondContact O-N 3.26Å; R507-G510 PolarHBondContact O-N 3.02Å; F508-G510 VanDerWaalsContact C-N 3.27Å; F508-G510 PolarHBondContact O-N 2.96Å; G510-I512 PolarHBondContact O-N 3.45Å; G510-M513 PolarHBondContact O-N 2.81Å; G510-G514 PolarHBondContact O-N 3.29Å; G510-L623 VanDerWaalsContact CA-O 3.23Å; G510-L623 WeakPolarHBondContact CA-O 3.36Å; G510-G626 VanDerWaalsContact C-C 3.45Å; G510-L627 VanDerWaalsContact C-N 3.31Å; G510-L627 WeakPolarHBondContact O-CA 3.4Å; G510-L627 PolarHBondContact O-N 3.09Å
511	R	98.1	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-46.2	175.1	-70.5	-176.5	157.4	-165.8	-10.7	111.4	I429 V432 R507 F508 I509 M513 G514 I515 E629 F630	I429-R511 HydrophobicContact CG2-CB 4.04Å; I429-R511 PolarHBondContact O-NH1 3.36Å; V432-R511 PolarHBondContact O-NH1 2.87Å; V432-R511 PolarHBondContact O-NH2 2.96Å; R507-R511 WeakPolarHBondContact O-CG 3.36Å; R507-R511 PolarHBondContact O-N 2.97Å; F508-R511 WeakPolarHBondContact O-CA 3.5Å; F508-R511 WeakPolarHBondContact O-CB 3.16Å; F508-R511 PolarHBondContact O-N 3.46Å; I509-R511 PolarHBondContact O-N 3.41Å; R511-M513 PolarHBondContact O-N 2.97Å; R511-G514 PolarHBondContact O-N 3.48Å; R511-G514 VanDerWaalsContact O-N 3.12Å; R511-I515 WeakPolarHBondContact O-CB 3.4Å; R511-I515 WeakPolarHBondContact O-CD1 3.39Å; R511-I515 WeakPolarHBondContact O-CG1 3.47Å; R511-I515 PolarHBondContact O-N 2.88Å; R511-E629 IonicContact CZ-OE2 2.7Å; R511-E629 IonicContact NE-OE1 3.62Å; R511-E629 IonicContact NE-OE2 3.27Å; R511-E629 PolarHBondContact NE-OE2 3.22Å; R511-E629 IonicContact NH2-OE1 2.73Å; R511-E629 IonicContact NH2-OE2 3.25Å; R511-E629 PolarHBondContact NH2-OE2 3.41Å; R511-F630 HydrophobicContact CB-CE2 3.9Å; R511-F630 HydrophobicContact CG-CE2 3.95Å
512	I	97.8	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-44.7	177.5	-64.9	-62.4	0	0	0	111.3	I429 W463 F464 L467 M471 F508 I509 G510 G514 I515 A516 L523	I429-I512 HydrophobicContact CG1-CD1 3.93Å; W463-I512 HydrophobicContact CH2-CD1 3.66Å; W463-I512 HydrophobicContact CZ2-CD1 4.07Å; F464-I512 HydrophobicContact CD1-CG2 4.41Å; F464-I512 HydrophobicContact CE1-CG2 4.39Å; L467-I512 HydrophobicContact CD2-CD1 3.59Å; L467-I512 HydrophobicContact CD2-CG1 3.94Å; L467-I512 HydrophobicContact CD2-CG2 4.13Å; M471-I512 HydrophobicContact CE-CB 4.27Å; M471-I512 HydrophobicContact CE-CG2 3.66Å; M471-I512 HydrophobicContact SD-CB 4.46Å; M471-I512 HydrophobicContact SD-CG2 4.47Å; F508-I512 HydrophobicContact CD2-CD1 4.47Å; F508-I512 HydrophobicContact CD2-CG1 4.04Å; F508-I512 HydrophobicContact CE1-CG1 4.21Å; F508-I512 HydrophobicContact CE2-CD1 3.68Å; F508-I512 HydrophobicContact CE2-CG1 3.54Å; F508-I512 HydrophobicContact CZ-CD1 4Å; F508-I512 HydrophobicContact CZ-CG1 3.65Å; F508-I512 WeakPolarHBondContact O-CG1 3.44Å; F508-I512 PolarHBondContact O-N 3.38Å; I509-I512 PolarHBondContact O-N 3.16Å; G510-I512 PolarHBondContact O-N 3.45Å; I512-G514 VanDerWaalsContact C-N 3.3Å; I512-G514 PolarHBondContact O-N 3.33Å; I512-I515 PolarHBondContact O-N 2.87Å; I512-A516 VanDerWaalsContact O-CB 3.27Å; I512-A516 WeakPolarHBondContact O-CB 3.3Å; I512-A516 PolarHBondContact O-N 3.33Å; I512-L523 HydrophobicContact CG2-CD2 4.16Å
513	M	97.2	Very high	94.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-58.8	-42.4	173.7	-71	-177.9	175.2	0	0	111.7	F472 I509 G510 R511 A516 L517 L523 F527 F531 M535 L623 L627 M648	F472-M513 HydrophobicContact CE1-CE 3.7Å; F472-M513 HydrophobicContact CZ-CE 3.52Å; I509-M513 HydrophobicContact CG2-CE 3.87Å; I509-M513 HydrophobicContact CG2-SD 4.34Å; I509-M513 WeakPolarHBondContact O-CG 3.47Å; I509-M513 PolarHBondContact O-N 3.42Å; G510-M513 PolarHBondContact O-N 2.81Å; R511-M513 PolarHBondContact O-N 2.97Å; M513-A516 PolarHBondContact O-N 3.44Å; M513-L517 WeakPolarHBondContact O-CB 3.13Å; M513-L517 VanDerWaalsContact O-CG 3.3Å; M513-L517 WeakPolarHBondContact O-CG 3.39Å; M513-L517 PolarHBondContact O-N 3.42Å; M513-L523 HydrophobicContact CB-CD1 4.33Å; M513-L523 HydrophobicContact CG-CD1 3.67Å; M513-F527 HydrophobicContact CE-CE2 3.69Å; M513-F527 HydrophobicContact CE-CZ 3.62Å; M513-F531 HydrophobicContact CE-CE1 4.28Å; M513-F531 HydrophobicContact CE-CZ 4.11Å; M513-M535 HydrophobicContact SD-CE 4.34Å; M513-L623 HydrophobicContact CE-CD1 4.4Å; M513-L623 HydrophobicContact SD-CD1 4.3Å; M513-L623 HydrophobicContact SD-CD2 4.14Å; M513-L623 HydrophobicContact SD-CG 4.49Å; M513-L627 HydrophobicContact CB-CD1 3.73Å; M513-M648 HydrophobicContact CB-CE 4.41Å; M513-M648 HydrophobicContact CE-CE 3.95Å; M513-M648 HydrophobicContact CG-CE 3.92Å; M513-M648 HydrophobicContact SD-CE 3.63Å
514	G	97	Very high	93.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.5	-43.2	177.6	0	0	0	0	0	113.1	G510 R511 I512 Y518	G510-G514 PolarHBondContact O-N 3.29Å; R511-G514 PolarHBondContact O-N 3.48Å; R511-G514 VanDerWaalsContact O-N 3.12Å; I512-G514 VanDerWaalsContact C-N 3.3Å; I512-G514 PolarHBondContact O-N 3.33Å; G514-Y518 VanDerWaalsContact O-CB 3.31Å; G514-Y518 WeakPolarHBondContact O-CB 3.43Å; G514-Y518 PolarHBondContact O-N 3.23Å
515	I	96.3	Very high	92.9	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-45.9	175.9	-63.2	163	0	0	0	109.6	I429 L440 L444 F464 R511 I512 L517 Y518 H519 F630	I429-I515 HydrophobicContact CD1-CD1 4.06Å; I429-I515 HydrophobicContact CG2-CD1 4.23Å; L440-I515 HydrophobicContact CB-CD1 4.2Å; L440-I515 HydrophobicContact CB-CG1 4.36Å; L440-I515 HydrophobicContact CD1-CD1 4.12Å; L444-I515 HydrophobicContact CD1-CG2 3.68Å; F464-I515 HydrophobicContact CE1-CG2 4.34Å; F464-I515 HydrophobicContact CZ-CG2 3.86Å; R511-I515 WeakPolarHBondContact O-CB 3.4Å; R511-I515 WeakPolarHBondContact O-CD1 3.39Å; R511-I515 WeakPolarHBondContact O-CG1 3.47Å; R511-I515 PolarHBondContact O-N 2.88Å; I512-I515 PolarHBondContact O-N 2.87Å; I515-L517 PolarHBondContact O-N 2.95Å; I515-Y518 PolarHBondContact O-N 3.06Å; I515-H519 WeakPolarHBondContact O-CB 3.43Å; I515-H519 PolarHBondContact O-CD2 3.47Å; I515-H519 PolarHBondContact O-N 3.31Å; I515-F630 HydrophobicContact CD1-CE1 4.4Å; I515-F630 HydrophobicContact CD1-CE2 4.25Å; I515-F630 HydrophobicContact CD1-CZ 3.92Å; I515-F630 HydrophobicContact CG1-CD1 3.99Å; I515-F630 HydrophobicContact CG1-CD2 4.18Å; I515-F630 HydrophobicContact CG1-CE1 3.62Å; I515-F630 HydrophobicContact CG1-CE2 3.82Å; I515-F630 HydrophobicContact CG1-CG 4.26Å; I515-F630 HydrophobicContact CG1-CZ 3.53Å
516	A	93.9	Very high	92	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	8%	0.083	C	C	.	.	H	α-helix	trans	-58.1	-49.5	177.9	0	0	0	0	0	111.4	F464 I512 M513 Y518 H519 G520 K521 L523	F464-A516 HydrophobicContact CD1-CB 3.93Å; F464-A516 HydrophobicContact CE1-CB 3.62Å; F464-A516 HydrophobicContact CZ-CB 4.33Å; I512-A516 VanDerWaalsContact O-CB 3.27Å; I512-A516 WeakPolarHBondContact O-CB 3.3Å; I512-A516 PolarHBondContact O-N 3.33Å; M513-A516 PolarHBondContact O-N 3.44Å; A516-Y518 VanDerWaalsContact C-N 3.34Å; A516-Y518 PolarHBondContact O-N 2.86Å; A516-H519 PolarHBondContact O-N 3.35Å; A516-G520 PolarHBondContact O-N 2.81Å; A516-K521 PolarHBondContact O-N 3.05Å; A516-L523 HydrophobicContact CB-CD1 4.26Å; A516-L523 HydrophobicContact CB-CD2 3.96Å; A516-L523 HydrophobicContact CB-CG 3.99Å
517	L	93.7	Very high	91.5	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-40.7	176.5	-75.7	176.9	0	0	0	112.7	F398 M513 I515 G520 L627 I631 L636 L647 M648	F398-L517 HydrophobicContact CZ-CB 4.35Å; M513-L517 WeakPolarHBondContact O-CB 3.13Å; M513-L517 VanDerWaalsContact O-CG 3.3Å; M513-L517 WeakPolarHBondContact O-CG 3.39Å; M513-L517 PolarHBondContact O-N 3.42Å; I515-L517 PolarHBondContact O-N 2.95Å; L517-G520 PolarHBondContact O-N 3.33Å; L517-L627 HydrophobicContact CD1-CD1 4.04Å; L517-I631 HydrophobicContact CB-CD1 3.94Å; L517-I631 HydrophobicContact CB-CG1 3.93Å; L517-I631 HydrophobicContact CD1-CG1 4.2Å; L517-L636 HydrophobicContact CD1-CD2 3.95Å; L517-L647 HydrophobicContact CD2-CD2 3.7Å; L517-L647 HydrophobicContact CD2-CG 3.58Å; L517-M648 HydrophobicContact CD1-CG 4.33Å; L517-M648 HydrophobicContact CD2-CG 3.73Å; L517-M648 HydrophobicContact CG-CG 4.23Å
518	Y	94.2	Very high	90.7	Very high	24 Å²	24	13.8 Å²	13.8	9%	0.094	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-47.2	178.6	-175.1	-88.9	0	0	0	111.9	R399 L402 G403 P405 K441 G514 I515 A516 G520	R399-Y518 PolarHBondContact NH1-O 2.92Å; L402-Y518 HydrophobicContact CB-CD2 4.2Å; L402-Y518 HydrophobicContact CB-CE2 3.92Å; L402-Y518 HydrophobicContact CD1-CD2 4.08Å; L402-Y518 HydrophobicContact CD1-CE2 4.49Å; L402-Y518 HydrophobicContact CD2-CD2 4.31Å; L402-Y518 HydrophobicContact CG-CD2 4.42Å; G403-Y518 WeakPolarHBondContact O-CE2 3.34Å; G403-Y518 PolarHBondContact O-OH 3.07Å; P405-Y518 VanDerWaalsContact CD-OH 3.26Å; P405-Y518 WeakPolarHBondContact CD-OH 3.49Å; K441-Y518 HydrophobicContact CB-CD1 4.03Å; K441-Y518 HydrophobicContact CB-CE1 3.55Å; K441-Y518 HydrophobicContact CB-CE2 4.35Å; K441-Y518 HydrophobicContact CD-CD2 4.23Å; K441-Y518 HydrophobicContact CD-CE1 4.5Å; K441-Y518 HydrophobicContact CD-CE2 3.79Å; K441-Y518 HydrophobicContact CG-CD1 4.12Å; K441-Y518 HydrophobicContact CG-CD2 4.19Å; K441-Y518 HydrophobicContact CG-CE1 3.98Å; K441-Y518 HydrophobicContact CG-CE2 4.03Å; K441-Y518 HydrophobicContact CG-CG 4.24Å; K441-Y518 WeakPolarHBondContact O-CE1 3.48Å; G514-Y518 VanDerWaalsContact O-CB 3.31Å; G514-Y518 WeakPolarHBondContact O-CB 3.43Å; G514-Y518 PolarHBondContact O-N 3.23Å; I515-Y518 PolarHBondContact O-N 3.06Å; A516-Y518 VanDerWaalsContact C-N 3.34Å; A516-Y518 PolarHBondContact O-N 2.86Å; Y518-G520 VanDerWaalsContact C-N 3.3Å; Y518-G520 PolarHBondContact O-N 2.88Å
519	H	90.5	Very high	89.8	Confident	45 Å²	45	19.6 Å²	19.6	21%	0.208	10%	0.096	C	C	.	.	H	α-helix	trans	-81.2	-6.3	-178.7	-73.6	-75.1	0	0	0	113.7	L440 K441 T442 I515 A516 K521	L440-H519 PolarHBondContact O-NE2 2.86Å; K441-H519 PolarHBondContact O-CE1 3.31Å; T442-H519 PolarHBondContact O-CE1 3.26Å; I515-H519 WeakPolarHBondContact O-CB 3.43Å; I515-H519 PolarHBondContact O-CD2 3.47Å; I515-H519 PolarHBondContact O-N 3.31Å; A516-H519 PolarHBondContact O-N 3.35Å; H519-K521 HydrophobicContact CB-CG 3.87Å
520	G	86.5	Confident	89.3	Confident	33 Å²	33	19.6 Å²	19.6	34%	0.34	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	38.2	-176	0	0	0	0	0	112.6	A516 L517 Y518	A516-G520 PolarHBondContact O-N 2.81Å; L517-G520 PolarHBondContact O-N 3.33Å; Y518-G520 VanDerWaalsContact C-N 3.3Å; Y518-G520 PolarHBondContact O-N 2.88Å
521	K	86.2	Confident	89.1	Confident	32 Å²	32	19.7 Å²	19.7	14%	0.139	10%	0.097	C	C	.	.			trans	-103.3	147.6	176.7	-55.1	-56.5	-171.6	-177.3	0	109.7	R461 F464 A516 H519	R461-K521 HydrophobicContact CG-CD 3.71Å; F464-K521 HydrophobicContact CD1-CB 4.47Å; F464-K521 HydrophobicContact CD2-CB 3.49Å; F464-K521 VanDerWaalsContact CD2-CB 3.49Å; F464-K521 HydrophobicContact CD2-CG 3.59Å; F464-K521 HydrophobicContact CE2-CB 3.7Å; F464-K521 HydrophobicContact CE2-CG 3.48Å; F464-K521 VanDerWaalsContact CE2-CG 3.48Å; F464-K521 HydrophobicContact CG-CB 3.93Å; F464-K521 HydrophobicContact CZ-CB 4.24Å; F464-K521 HydrophobicContact CZ-CG 4.27Å; A516-K521 PolarHBondContact O-N 3.05Å; H519-K521 HydrophobicContact CB-CG 3.87Å
522	L	85.2	Confident	88.7	Confident	36 Å²	36	19.8 Å²	19.8	19%	0.188	10%	0.097	C	C	.	.			trans	-97.3	146.2	-176.3	-59.9	177	0	0	0	110.2	M648 R703	L522-M648 WeakPolarHBondContact CA-O 3.16Å; L522-R703 HydrophobicContact CD1-CB 3.44Å; L522-R703 VanDerWaalsContact CD1-CB 3.44Å; L522-R703 HydrophobicContact CD1-CG 4.33Å
523	L	88	Confident	88.4	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.021	10%	0.102	C	C	.	.			trans	-105.3	142.4	173.5	-61.1	175.3	0	0	0	109.9	F464 F472 I512 M513 A516 A525 M648	F464-L523 HydrophobicContact CD1-CD2 3.97Å; F472-L523 HydrophobicContact CE2-CB 4.31Å; F472-L523 HydrophobicContact CE2-CD1 4.39Å; F472-L523 HydrophobicContact CZ-CD1 4.41Å; I512-L523 HydrophobicContact CG2-CD2 4.16Å; M513-L523 HydrophobicContact CB-CD1 4.33Å; M513-L523 HydrophobicContact CG-CD1 3.67Å; A516-L523 HydrophobicContact CB-CD1 4.26Å; A516-L523 HydrophobicContact CB-CD2 3.96Å; A516-L523 HydrophobicContact CB-CG 3.99Å; L523-A525 PolarHBondContact O-N 2.92Å; L523-A525 VanDerWaalsContact O-N 3.14Å; L523-M648 PolarHBondContact N-O 3.23Å
524	D	82.9	Confident	88.3	Confident	35 Å²	35	22.3 Å²	22.3	19%	0.187	11%	0.109	C	C	.	.			trans	-84.4	80.9	173.3	-167.4	37.4	0	0	0	110.4	F465 S468 H469 R703	F465-D524 HydrophobicContact CD2-CB 3.97Å; F465-D524 HydrophobicContact CE2-CB 3.9Å; S468-D524 WeakPolarHBondContact OG-CB 3.31Å; S468-D524 PolarHBondContact OG-N 3.13Å; H469-D524 IonicContact ND1-OD2 3.8Å; H469-D524 PolarHBondContact ND1-OD2 3.49Å; D524-R703 IonicContact OD1-CZ 2.95Å; D524-R703 IonicContact OD1-NE 3.63Å; D524-R703 IonicContact OD1-NH2 3.25Å; D524-R703 PolarHBondContact OD1-NH2 3.28Å
525	A	77.3	Confident	88.2	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.025	11%	0.109	C	C	.	.			trans	-145.8	153.2	179	0	0	0	0	0	111.5	F472 L523 F527 C649	F472-A525 HydrophobicContact CD2-CB 3.43Å; F472-A525 VanDerWaalsContact CD2-CB 3.43Å; F472-A525 HydrophobicContact CE2-CB 3.58Å; F472-A525 HydrophobicContact CG-CB 4.06Å; F472-A525 HydrophobicContact CZ-CB 4.33Å; L523-A525 PolarHBondContact O-N 2.92Å; L523-A525 VanDerWaalsContact O-N 3.14Å; A525-F527 HydrophobicContact CB-CD2 4.23Å; A525-F527 HydrophobicContact CB-CE1 4.49Å; A525-F527 HydrophobicContact CB-CE2 3.47Å; A525-F527 VanDerWaalsContact CB-CE2 3.47Å; A525-F527 HydrophobicContact CB-CZ 3.62Å; A525-C649 PolarHBondContact O-SG 3.41Å; A525-C649 VanDerWaalsContact O-SG 3.36Å
526	F	77.5	Confident	88.2	Confident	53 Å²	53	22.6 Å²	22.6	23%	0.232	11%	0.11	C	C	.	.			trans	-136.4	99	173.7	-61.8	-82.4	0	0	0	108.6	T488 L489 Q652	T488-F526 CarbonylContact C-O 3.58Å; T488-F526 WeakPolarHBondContact CA-O 3.47Å; L489-F526 PolarHBondContact N-O 2.91Å; F526-Q652 HydrophobicContact CE1-CB 4.35Å; F526-Q652 HydrophobicContact CE1-CG 4.37Å; F526-Q652 HydrophobicContact CZ-CB 4.43Å; F526-Q652 HydrophobicContact CZ-CG 4.03Å
527	F	86.4	Confident	88.1	Confident	7 Å²	7	25.8 Å²	25.8	3%	0.031	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-92.1	156.3	-179.3	-57.9	-73.9	0	0	0	111.6	F472 F479 L489 M513 A525 F531 Y532	F472-F527 AromaticContact CD1-CE1 3.99Å; F472-F527 HydrophobicContact CD1-CE1 3.99Å; F472-F527 AromaticContact CD1-CZ 3.66Å; F472-F527 HydrophobicContact CD1-CZ 3.66Å; F472-F527 HydrophobicContact CD2-CZ 4.48Å; F472-F527 HydrophobicContact CE1-CE1 4.13Å; F472-F527 HydrophobicContact CE1-CE2 4.49Å; F472-F527 AromaticContact CE1-CZ 3.46Å; F472-F527 HydrophobicContact CE1-CZ 3.46Å; F472-F527 VanDerWaalsContact CE1-CZ 3.46Å; F472-F527 HydrophobicContact CE2-CZ 4.28Å; F472-F527 HydrophobicContact CG-CZ 4.22Å; F472-F527 HydrophobicContact CZ-CE2 4.45Å; F472-F527 AromaticContact CZ-CZ 3.79Å; F472-F527 HydrophobicContact CZ-CZ 3.79Å; F479-F527 HydrophobicContact CD1-CD1 4.46Å; F479-F527 AromaticContact CD1-CE1 3.91Å; F479-F527 HydrophobicContact CD1-CE1 3.91Å; F479-F527 HydrophobicContact CE1-CD1 4.26Å; F479-F527 AromaticContact CE1-CE1 3.57Å; F479-F527 HydrophobicContact CE1-CE1 3.57Å; F479-F527 HydrophobicContact CE1-CZ 4.43Å; F479-F527 HydrophobicContact CZ-CE1 4.13Å; L489-F527 HydrophobicContact CB-CD1 3.84Å; L489-F527 HydrophobicContact CB-CE1 4.11Å; L489-F527 HydrophobicContact CD1-CE1 4.42Å; L489-F527 VanDerWaalsContact O-CA 3.31Å; L489-F527 WeakPolarHBondContact O-CA 3.16Å; M513-F527 HydrophobicContact CE-CE2 3.69Å; M513-F527 HydrophobicContact CE-CZ 3.62Å; A525-F527 HydrophobicContact CB-CD2 4.23Å; A525-F527 HydrophobicContact CB-CE1 4.49Å; A525-F527 HydrophobicContact CB-CE2 3.47Å; A525-F527 VanDerWaalsContact CB-CE2 3.47Å; A525-F527 HydrophobicContact CB-CZ 3.62Å; F527-F531 HydrophobicContact CB-CB 3.7Å; F527-F531 HydrophobicContact CB-CD1 3.51Å; F527-F531 HydrophobicContact CB-CE1 4.27Å; F527-F531 HydrophobicContact CB-CG 3.69Å; F527-F531 HydrophobicContact CD1-CD1 4.06Å; F527-F531 HydrophobicContact CD1-CD2 4.32Å; F527-F531 HydrophobicContact CD1-CE1 4.09Å; F527-F531 HydrophobicContact CD1-CE2 4.34Å; F527-F531 HydrophobicContact CD1-CG 4.18Å; F527-F531 HydrophobicContact CD1-CZ 4.23Å; F527-F531 AromaticContact CD2-CD1 3.67Å; F527-F531 HydrophobicContact CD2-CD1 3.67Å; F527-F531 AromaticContact CD2-CE1 3.58Å; F527-F531 HydrophobicContact CD2-CE1 3.58Å; F527-F531 HydrophobicContact CD2-CZ 4.39Å; F527-F531 HydrophobicContact CE1-CE1 4.36Å; F527-F531 HydrophobicContact CE1-CZ 4.26Å; F527-F531 HydrophobicContact CE2-CD1 4.43Å; F527-F531 AromaticContact CE2-CE1 3.89Å; F527-F531 HydrophobicContact CE2-CE1 3.89Å; F527-F531 HydrophobicContact CE2-CZ 4.41Å; F527-F531 HydrophobicContact CG-CB 4.43Å; F527-F531 AromaticContact CG-CD1 3.46Å; F527-F531 HydrophobicContact CG-CD1 3.46Å; F527-F531 VanDerWaalsContact CG-CD1 3.46Å; F527-F531 HydrophobicContact CG-CD2 4.46Å; F527-F531 AromaticContact CG-CE1 3.7Å; F527-F531 HydrophobicContact CG-CE1 3.7Å; F527-F531 AromaticContact CG-CG 3.89Å; F527-F531 HydrophobicContact CG-CG 3.89Å; F527-F531 HydrophobicContact CG-CZ 4.31Å; F527-F531 HydrophobicContact CZ-CE1 4.27Å; F527-F531 HydrophobicContact CZ-CZ 4.35Å; F527-Y532 HydrophobicContact CB-CE1 4.42Å; F527-Y532 HydrophobicContact CB-CE2 3.9Å; F527-Y532 HydrophobicContact CD2-CE1 4Å; F527-Y532 AromaticContact CD2-CZ 3.89Å; F527-Y532 PolarHBondContact N-OH 2.84Å; F527-Y532 WeakPolarHBondContact O-CE2 3.46Å
528	I	82.8	Confident	88	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.041	16%	0.16	C	C	.	.			trans	-60.3	145.7	168.5	59.2	165.9	0	0	0	111	S482 L489 Q490 P530 F531 V548 F612	S482-I528 WeakPolarHBondContact OG-CG2 3.42Å; L489-I528 PolarHBondContact O-N 3.42Å; Q490-I528 HydrophobicContact CB-CD1 3.6Å; Q490-I528 HydrophobicContact CB-CG1 3.93Å; Q490-I528 HydrophobicContact CB-CG2 4.49Å; I528-P530 VanDerWaalsContact C-CD 3.45Å; I528-P530 VanDerWaalsContact C-N 3.32Å; I528-P530 HydrophobicContact CD1-CB 4Å; I528-P530 HydrophobicContact CD1-CG 4.1Å; I528-P530 HydrophobicContact CG1-CB 4.35Å; I528-P530 HydrophobicContact CG1-CG 4.48Å; I528-F531 HydrophobicContact CG1-CB 4.18Å; I528-F531 WeakPolarHBondContact O-CB 3.45Å; I528-F531 PolarHBondContact O-N 3.5Å; I528-V548 HydrophobicContact CB-CG2 3.81Å; I528-V548 HydrophobicContact CD1-CG2 4.11Å; I528-V548 HydrophobicContact CG2-CG2 3.84Å; I528-F612 HydrophobicContact CD1-CD1 3.91Å; I528-F612 HydrophobicContact CD1-CE1 3.77Å
529	R	78.4	Confident	87.8	Confident	122 Å²	122	33.1 Å²	33.1	46%	0.46	19%	0.188	S	C	.	.	H	α-helix	trans	-50.8	-40.9	179.3	-172	-178.9	-171.6	174.2	1.5	114.6	F531 Y532 K533 D544	R529-F531 PolarHBondContact O-N 2.82Å; R529-Y532 PolarHBondContact O-N 2.9Å; R529-K533 PolarHBondContact O-N 2.84Å; R529-K533 VanDerWaalsContact O-N 3.17Å; R529-D544 IonicContact NE-OD1 3.01Å
530	P	87.9	Confident	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-50	-35.6	170.8	-33.4	38.6	0	0	0	115.1	I528 K533 M534 I540 D544 V548 F612	I528-P530 VanDerWaalsContact C-CD 3.45Å; I528-P530 VanDerWaalsContact C-N 3.32Å; I528-P530 HydrophobicContact CD1-CB 4Å; I528-P530 HydrophobicContact CD1-CG 4.1Å; I528-P530 HydrophobicContact CG1-CB 4.35Å; I528-P530 HydrophobicContact CG1-CG 4.48Å; P530-K533 PolarHBondContact O-N 2.74Å; P530-M534 WeakPolarHBondContact O-CG 3.38Å; P530-M534 PolarHBondContact O-N 3.2Å; P530-I540 HydrophobicContact CB-CD1 4.07Å; P530-I540 HydrophobicContact CB-CG2 4.28Å; P530-I540 HydrophobicContact CG-CG2 4.25Å; P530-D544 HydrophobicContact CG-CB 4Å; P530-V548 HydrophobicContact CG-CG2 4.23Å; P530-F612 HydrophobicContact CB-CB 4.3Å; P530-F612 HydrophobicContact CB-CD1 3.89Å; P530-F612 HydrophobicContact CB-CD2 4.5Å; P530-F612 HydrophobicContact CB-CE1 4.32Å; P530-F612 HydrophobicContact CB-CG 3.99Å; P530-F612 HydrophobicContact CG-CD1 3.95Å; P530-F612 HydrophobicContact CG-CD2 4.27Å; P530-F612 HydrophobicContact CG-CE1 3.89Å; P530-F612 HydrophobicContact CG-CE2 4.18Å; P530-F612 HydrophobicContact CG-CG 4.15Å; P530-F612 HydrophobicContact CG-CZ 4Å
531	F	92.7	Very high	87.9	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-51.7	179.7	-176.4	-93.5	0	0	0	111.5	F479 I491 M513 F527 I528 R529 K533 M534 M535 M620 L623	F479-F531 HydrophobicContact CE1-CE2 4.22Å; I491-F531 HydrophobicContact CD1-CD2 4.45Å; I491-F531 HydrophobicContact CD1-CE2 4Å; I491-F531 HydrophobicContact CG1-CD2 4.33Å; I491-F531 HydrophobicContact CG1-CE2 3.99Å; M513-F531 HydrophobicContact CE-CE1 4.28Å; M513-F531 HydrophobicContact CE-CZ 4.11Å; F527-F531 HydrophobicContact CB-CB 3.7Å; F527-F531 HydrophobicContact CB-CD1 3.51Å; F527-F531 HydrophobicContact CB-CE1 4.27Å; F527-F531 HydrophobicContact CB-CG 3.69Å; F527-F531 HydrophobicContact CD1-CD1 4.06Å; F527-F531 HydrophobicContact CD1-CD2 4.32Å; F527-F531 HydrophobicContact CD1-CE1 4.09Å; F527-F531 HydrophobicContact CD1-CE2 4.34Å; F527-F531 HydrophobicContact CD1-CG 4.18Å; F527-F531 HydrophobicContact CD1-CZ 4.23Å; F527-F531 AromaticContact CD2-CD1 3.67Å; F527-F531 HydrophobicContact CD2-CD1 3.67Å; F527-F531 AromaticContact CD2-CE1 3.58Å; F527-F531 HydrophobicContact CD2-CE1 3.58Å; F527-F531 HydrophobicContact CD2-CZ 4.39Å; F527-F531 HydrophobicContact CE1-CE1 4.36Å; F527-F531 HydrophobicContact CE1-CZ 4.26Å; F527-F531 HydrophobicContact CE2-CD1 4.43Å; F527-F531 AromaticContact CE2-CE1 3.89Å; F527-F531 HydrophobicContact CE2-CE1 3.89Å; F527-F531 HydrophobicContact CE2-CZ 4.41Å; F527-F531 HydrophobicContact CG-CB 4.43Å; F527-F531 AromaticContact CG-CD1 3.46Å; F527-F531 HydrophobicContact CG-CD1 3.46Å; F527-F531 VanDerWaalsContact CG-CD1 3.46Å; F527-F531 HydrophobicContact CG-CD2 4.46Å; F527-F531 AromaticContact CG-CE1 3.7Å; F527-F531 HydrophobicContact CG-CE1 3.7Å; F527-F531 AromaticContact CG-CG 3.89Å; F527-F531 HydrophobicContact CG-CG 3.89Å; F527-F531 HydrophobicContact CG-CZ 4.31Å; F527-F531 HydrophobicContact CZ-CE1 4.27Å; F527-F531 HydrophobicContact CZ-CZ 4.35Å; I528-F531 HydrophobicContact CG1-CB 4.18Å; I528-F531 WeakPolarHBondContact O-CB 3.45Å; I528-F531 PolarHBondContact O-N 3.5Å; R529-F531 PolarHBondContact O-N 2.82Å; F531-K533 VanDerWaalsContact C-N 3.31Å; F531-K533 PolarHBondContact O-N 3.12Å; F531-M534 WeakPolarHBondContact O-CB 3.27Å; F531-M534 PolarHBondContact O-N 3.45Å; F531-M534 VanDerWaalsContact O-N 3.16Å; F531-M535 HydrophobicContact CD1-CG 4.38Å; F531-M535 HydrophobicContact CD1-SD 3.75Å; F531-M535 HydrophobicContact CE1-CG 4.19Å; F531-M535 HydrophobicContact CE1-SD 3.37Å; F531-M535 WeakPolarHBondContact CE1-SD 3.45Å; F531-M535 HydrophobicContact CZ-SD 4.24Å; F531-M535 WeakPolarHBondContact O-CG 3.46Å; F531-M535 PolarHBondContact O-N 3.31Å; F531-M620 HydrophobicContact CD2-CE 3.73Å; F531-M620 HydrophobicContact CE2-CE 3.78Å; F531-M620 HydrophobicContact CG-CE 4.47Å; F531-L623 HydrophobicContact CE2-CD1 4.18Å; F531-L623 HydrophobicContact CZ-CD1 3.82Å
532	Y	90.7	Very high	88	Confident	2 Å²	2	33 Å²	33	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-36	177	-57.3	-67.5	0	0	0	112.2	F527 R529 M535 L536 L644 E645 M648	F527-Y532 HydrophobicContact CB-CE1 4.42Å; F527-Y532 HydrophobicContact CB-CE2 3.9Å; F527-Y532 HydrophobicContact CD2-CE1 4Å; F527-Y532 AromaticContact CD2-CZ 3.89Å; F527-Y532 PolarHBondContact N-OH 2.84Å; F527-Y532 WeakPolarHBondContact O-CE2 3.46Å; R529-Y532 PolarHBondContact O-N 2.9Å; Y532-M535 HydrophobicContact CD1-SD 4.27Å; Y532-M535 PolarHBondContact O-N 3.38Å; Y532-L536 VanDerWaalsContact O-CG 3.29Å; Y532-L536 WeakPolarHBondContact O-CG 3.23Å; Y532-L536 PolarHBondContact O-N 3.47Å; Y532-L536 VanDerWaalsContact O-N 3.08Å; Y532-L644 HydrophobicContact CD1-CD2 4.27Å; Y532-L644 HydrophobicContact CD1-CG 4.29Å; Y532-E645 HydrophobicContact CD1-CB 4.32Å; Y532-E645 HydrophobicContact CD2-CB 4.18Å; Y532-E645 HydrophobicContact CE1-CB 3.93Å; Y532-E645 HydrophobicContact CE1-CG 4.43Å; Y532-E645 HydrophobicContact CE2-CB 3.78Å; Y532-E645 HydrophobicContact CE2-CG 3.94Å; Y532-E645 HydrophobicContact CG-CB 4.44Å; Y532-M648 HydrophobicContact CE1-SD 4.35Å
533	K	90.4	Very high	87.7	Confident	24 Å²	24	35.2 Å²	35.2	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-42.2	173.6	-77.8	-171.5	170.3	-176.3	0	112.1	R529 P530 F531 L536 G537 K538 I540 D544 P641	R529-K533 PolarHBondContact O-N 2.84Å; R529-K533 VanDerWaalsContact O-N 3.17Å; P530-K533 PolarHBondContact O-N 2.74Å; F531-K533 VanDerWaalsContact C-N 3.31Å; F531-K533 PolarHBondContact O-N 3.12Å; K533-L536 CarbonylContact O-C 3.52Å; K533-L536 PolarHBondContact O-N 2.74Å; K533-G537 PolarHBondContact O-N 3.46Å; K533-G537 VanDerWaalsContact O-N 3.1Å; K533-K538 HydrophobicContact CB-CB 4.25Å; K533-K538 HydrophobicContact CG-CB 4.36Å; K533-K538 PolarHBondContact O-N 3.41Å; K533-I540 HydrophobicContact CB-CG1 4.46Å; K533-D544 WeakPolarHBondContact CD-OD2 3.06Å; K533-D544 VanDerWaalsContact CE-OD1 3.25Å; K533-D544 WeakPolarHBondContact CE-OD1 3.22Å; K533-D544 WeakPolarHBondContact CE-OD2 3.48Å; K533-D544 IonicContact NZ-OD1 3.82Å; K533-D544 PolarHBondContact NZ-OD1 2.92Å; K533-D544 IonicContact NZ-OD2 3.53Å; K533-D544 PolarHBondContact NZ-OD2 2.76Å; K533-P641 HydrophobicContact CG-CB 4.25Å; K533-P641 HydrophobicContact CG-CG 3.63Å
534	M	95.3	Very high	87.4	Confident	31 Å²	31	35 Å²	35	15%	0.153	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175	-72.6	-171.3	-77.8	0	0	111.8	P530 F531 L536 G537 I540 F612 V613 V616 M620	P530-M534 WeakPolarHBondContact O-CG 3.38Å; P530-M534 PolarHBondContact O-N 3.2Å; F531-M534 WeakPolarHBondContact O-CB 3.27Å; F531-M534 PolarHBondContact O-N 3.45Å; F531-M534 VanDerWaalsContact O-N 3.16Å; M534-L536 PolarHBondContact O-N 2.92Å; M534-G537 PolarHBondContact O-N 3.11Å; M534-I540 HydrophobicContact CG-CD1 3.88Å; M534-I540 HydrophobicContact SD-CD1 4.31Å; M534-F612 WeakPolarHBondContact CE-O 3.26Å; M534-V613 HydrophobicContact SD-CG2 4.34Å; M534-V616 HydrophobicContact CE-CG2 4.3Å; M534-V616 HydrophobicContact SD-CG2 4.37Å; M534-M620 HydrophobicContact CB-CE 3.7Å; M534-M620 HydrophobicContact CB-CG 4.28Å; M534-M620 HydrophobicContact CB-SD 4.14Å; M534-M620 HydrophobicContact CE-CE 3.63Å; M534-M620 HydrophobicContact CG-CE 4.45Å; M534-M620 HydrophobicContact SD-CE 3.99Å; M534-M620 HydrophobicContact SD-CG 4.46Å
535	M	96.4	Very high	87.3	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-35.9	175.8	-64.5	176.2	74.2	0	0	112.7	M513 F531 Y532 G537 M624 L627 Q633 L644 M648	M513-M535 HydrophobicContact SD-CE 4.34Å; F531-M535 HydrophobicContact CD1-CG 4.38Å; F531-M535 HydrophobicContact CD1-SD 3.75Å; F531-M535 HydrophobicContact CE1-CG 4.19Å; F531-M535 HydrophobicContact CE1-SD 3.37Å; F531-M535 WeakPolarHBondContact CE1-SD 3.45Å; F531-M535 HydrophobicContact CZ-SD 4.24Å; F531-M535 WeakPolarHBondContact O-CG 3.46Å; F531-M535 PolarHBondContact O-N 3.31Å; Y532-M535 HydrophobicContact CD1-SD 4.27Å; Y532-M535 PolarHBondContact O-N 3.38Å; M535-G537 VanDerWaalsContact C-N 3.31Å; M535-M624 HydrophobicContact CB-SD 4.02Å; M535-M624 HydrophobicContact CG-SD 3.97Å; M535-M624 WeakPolarHBondContact O-CE 3.42Å; M535-L627 HydrophobicContact CE-CD2 3.57Å; M535-Q633 PolarHBondContact O-NE2 2.76Å; M535-L644 HydrophobicContact CB-CD2 3.95Å; M535-L644 HydrophobicContact CE-CD2 4.34Å; M535-L644 HydrophobicContact SD-CD2 4.15Å; M535-M648 HydrophobicContact CE-CE 4.07Å; M535-M648 HydrophobicContact CE-SD 3.65Å; M535-M648 HydrophobicContact SD-SD 4.13Å
536	L	94.4	Very high	87	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.7	177.9	-64.5	171.8	0	0	0	113.7	Y532 K533 M534 K538 L636 F639 P641 L644	Y532-L536 VanDerWaalsContact O-CG 3.29Å; Y532-L536 WeakPolarHBondContact O-CG 3.23Å; Y532-L536 PolarHBondContact O-N 3.47Å; Y532-L536 VanDerWaalsContact O-N 3.08Å; K533-L536 CarbonylContact O-C 3.52Å; K533-L536 PolarHBondContact O-N 2.74Å; M534-L536 PolarHBondContact O-N 2.92Å; L536-K538 HydrophobicContact CB-CD 4.17Å; L536-K538 HydrophobicContact CB-CG 4.01Å; L536-K538 HydrophobicContact CD1-CD 4.28Å; L536-K538 PolarHBondContact O-N 3.25Å; L536-L636 HydrophobicContact CD2-CB 4.4Å; L536-L636 WeakPolarHBondContact CD2-O 3.39Å; L536-F639 WeakPolarHBondContact CD1-O 3.38Å; L536-P641 HydrophobicContact CD1-CB 4.32Å; L536-P641 HydrophobicContact CD1-CG 3.92Å; L536-L644 HydrophobicContact CD1-CB 4.45Å; L536-L644 HydrophobicContact CD1-CD2 4.25Å; L536-L644 HydrophobicContact CD2-CD2 3.85Å; L536-L644 HydrophobicContact CG-CD2 3.76Å
537	G	93.5	Very high	86.4	Confident	69 Å²	69	37.8 Å²	37.8	71%	0.711	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	25.4	-173.7	0	0	0	0	0	113.9	K533 M534 M535	K533-G537 PolarHBondContact O-N 3.46Å; K533-G537 VanDerWaalsContact O-N 3.1Å; M534-G537 PolarHBondContact O-N 3.11Å; M535-G537 VanDerWaalsContact C-N 3.31Å
538	K	91.4	Very high	85.7	Confident	85 Å²	85	37.6 Å²	37.6	37%	0.37	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-90.7	146.7	178.7	-67.9	-177.4	178.9	170	0	110.8	K533 L536 F639 P641	K533-K538 HydrophobicContact CB-CB 4.25Å; K533-K538 HydrophobicContact CG-CB 4.36Å; K533-K538 PolarHBondContact O-N 3.41Å; L536-K538 HydrophobicContact CB-CD 4.17Å; L536-K538 HydrophobicContact CB-CG 4.01Å; L536-K538 HydrophobicContact CD1-CD 4.28Å; L536-K538 PolarHBondContact O-N 3.25Å; K538-F639 PolarHBondContact NZ-O 3.39Å; K538-P641 HydrophobicContact CD-CG 4.49Å
539	S	90.6	Very high	85.2	Confident	97 Å²	97	40.1 Å²	40.1	68%	0.678	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-67.2	141	174.8	53.9	0	0	0	0	111.4
540	I	90.6	Very high	84.9	Confident	23 Å²	23	37.4 Å²	37.4	12%	0.118	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-90.4	132.1	174.3	-52.4	169.9	0	0	0	107.4	P530 K533 M534 D544 I608 F612 V613	P530-I540 HydrophobicContact CB-CD1 4.07Å; P530-I540 HydrophobicContact CB-CG2 4.28Å; P530-I540 HydrophobicContact CG-CG2 4.25Å; K533-I540 HydrophobicContact CB-CG1 4.46Å; M534-I540 HydrophobicContact CG-CD1 3.88Å; M534-I540 HydrophobicContact SD-CD1 4.31Å; I540-D544 WeakPolarHBondContact CA-OD2 3.44Å; I540-D544 HydrophobicContact CG2-CB 3.87Å; I540-I608 HydrophobicContact CB-CG2 4.06Å; I540-I608 HydrophobicContact CG2-CG2 3.71Å; I540-F612 HydrophobicContact CD1-CB 3.5Å; I540-F612 VanDerWaalsContact CD1-CB 3.5Å; I540-F612 HydrophobicContact CD1-CG 4.36Å; I540-F612 HydrophobicContact CG2-CD2 3.88Å; I540-F612 HydrophobicContact CG2-CE2 4.48Å; I540-F612 HydrophobicContact CG2-CG 4.49Å; I540-V613 HydrophobicContact CD1-CG2 3.47Å; I540-V613 VanDerWaalsContact CD1-CG2 3.47Å; I540-V613 HydrophobicContact CG1-CG2 4.43Å
541	V	87.1	Confident	84.4	Confident	69 Å²	69	44.8 Å²	44.8	42%	0.418	26%	0.261	S	S	.	.			trans	-117.6	167.2	-176.9	-61.3	0	0	0	0	110.4	N543 D544	V541-N543 VanDerWaalsContact C-N 3.26Å; V541-N543 HydrophobicContact CG2-CB 4.27Å; V541-N543 PolarHBondContact O-N 2.75Å; V541-D544 WeakPolarHBondContact CG2-OD2 3.23Å; V541-D544 PolarHBondContact N-OD2 3.1Å; V541-D544 WeakPolarHBondContact O-CB 3.39Å; V541-D544 PolarHBondContact O-N 2.94Å
542	L	88.3	Confident	84	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-53.4	-41.9	-179.2	177.3	58.3	0	0	0	112.7	D544 M545 Y553 L556 L557 E560 I604 I608	L542-D544 PolarHBondContact O-N 2.84Å; L542-D544 VanDerWaalsContact O-N 3.07Å; L542-M545 WeakPolarHBondContact O-CB 3.3Å; L542-M545 PolarHBondContact O-N 3.03Å; L542-Y553 HydrophobicContact CD1-CD2 3.82Å; L542-Y553 HydrophobicContact CD1-CE2 4.25Å; L542-Y553 HydrophobicContact CD2-CE2 4.48Å; L542-Y553 HydrophobicContact CG-CD2 3.92Å; L542-Y553 HydrophobicContact CG-CE2 3.82Å; L542-Y553 VanDerWaalsContact O-CD2 3.32Å; L542-Y553 WeakPolarHBondContact O-CD2 3.26Å; L542-L556 HydrophobicContact CD1-CB 3.51Å; L542-L556 HydrophobicContact CD1-CD1 3.82Å; L542-L556 HydrophobicContact CD1-CG 4.34Å; L542-L556 HydrophobicContact CD2-CB 4.49Å; L542-L557 HydrophobicContact CD2-CB 4.48Å; L542-L557 HydrophobicContact CD2-CD1 4.35Å; L542-E560 VanDerWaalsContact CD2-OE2 3.24Å; L542-E560 WeakPolarHBondContact CD2-OE2 3.15Å; L542-I604 HydrophobicContact CB-CG2 4.41Å; L542-I604 HydrophobicContact CD1-CG2 4.27Å; L542-I604 HydrophobicContact CD2-CG2 4.34Å; L542-I608 HydrophobicContact CD1-CD1 4.22Å
543	N	80.2	Confident	83.6	Confident	81 Å²	81	49.7 Å²	49.7	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-20.6	178.1	-158.4	106.6	0	0	0	114	V541 M545	V541-N543 VanDerWaalsContact C-N 3.26Å; V541-N543 HydrophobicContact CG2-CB 4.27Å; V541-N543 PolarHBondContact O-N 2.75Å; N543-M545 VanDerWaalsContact C-N 3.27Å
544	D	81.4	Confident	83.3	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-74.5	-22.5	175.6	-58.4	-50.1	0	0	0	112.2	R529 P530 K533 I540 V541 L542 S547	R529-D544 IonicContact NE-OD1 3.01Å; P530-D544 HydrophobicContact CG-CB 4Å; K533-D544 WeakPolarHBondContact CD-OD2 3.06Å; K533-D544 VanDerWaalsContact CE-OD1 3.25Å; K533-D544 WeakPolarHBondContact CE-OD1 3.22Å; K533-D544 WeakPolarHBondContact CE-OD2 3.48Å; K533-D544 IonicContact NZ-OD1 3.82Å; K533-D544 PolarHBondContact NZ-OD1 2.92Å; K533-D544 IonicContact NZ-OD2 3.53Å; K533-D544 PolarHBondContact NZ-OD2 2.76Å; I540-D544 WeakPolarHBondContact CA-OD2 3.44Å; I540-D544 HydrophobicContact CG2-CB 3.87Å; V541-D544 WeakPolarHBondContact CG2-OD2 3.23Å; V541-D544 PolarHBondContact N-OD2 3.1Å; V541-D544 WeakPolarHBondContact O-CB 3.39Å; V541-D544 PolarHBondContact O-N 2.94Å; L542-D544 PolarHBondContact O-N 2.84Å; L542-D544 VanDerWaalsContact O-N 3.07Å; D544-S547 PolarHBondContact O-OG 2.75Å; D544-S547 VanDerWaalsContact O-OG 3.08Å
545	M	80.5	Confident	83.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-34.6	176.7	-175.9	68.9	81.1	0	0	111.8	L542 N543 S547 V548 D549 Y552 Y553 L556 I608 R611 F612	L542-M545 WeakPolarHBondContact O-CB 3.3Å; L542-M545 PolarHBondContact O-N 3.03Å; N543-M545 VanDerWaalsContact C-N 3.27Å; M545-S547 PolarHBondContact O-N 2.73Å; M545-S547 VanDerWaalsContact O-N 3.15Å; M545-V548 WeakPolarHBondContact O-CA 3.22Å; M545-V548 PolarHBondContact O-N 3.38Å; M545-D549 CarbonylContact O-C 3.48Å; M545-D549 PolarHBondContact O-N 3.35Å; M545-D549 HydrophobicContact SD-CB 4.08Å; M545-Y552 HydrophobicContact CE-CD1 3.62Å; M545-Y552 HydrophobicContact CE-CE1 3.99Å; M545-Y552 HydrophobicContact SD-CD1 4.14Å; M545-Y553 HydrophobicContact CB-CD2 4.26Å; M545-L556 HydrophobicContact CE-CD1 4.4Å; M545-I608 HydrophobicContact CB-CD1 4.05Å; M545-I608 HydrophobicContact CE-CD1 3.51Å; M545-R611 HydrophobicContact CE-CB 4.25Å; M545-R611 HydrophobicContact CE-CG 3.8Å; M545-F612 HydrophobicContact CB-CE2 4.38Å; M545-F612 HydrophobicContact CE-CD2 4.46Å; M545-F612 HydrophobicContact CE-CE2 3.57Å; M545-F612 HydrophobicContact CE-CZ 3.95Å; M545-F612 HydrophobicContact SD-CE2 3.71Å; M545-F612 HydrophobicContact SD-CZ 3.52Å; M545-F612 VanDerWaalsContact SD-CZ 3.52Å
546	E	71.8	Confident	82.9	Confident	91 Å²	91	54.6 Å²	54.6	43%	0.425	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-43.1	-175.9	-176	-175.3	-158.7	0	0	112.6	V548 S550 Y553	E546-V548 VanDerWaalsContact C-N 3.25Å; E546-V548 PolarHBondContact O-N 2.84Å; E546-S550 PolarHBondContact O-OG 3.5Å; E546-Y553 HydrophobicContact CB-CD1 3.76Å; E546-Y553 HydrophobicContact CB-CD2 3.94Å; E546-Y553 HydrophobicContact CB-CE1 3.97Å; E546-Y553 HydrophobicContact CB-CE2 4.14Å; E546-Y553 HydrophobicContact CB-CG 3.74Å; E546-Y553 HydrophobicContact CG-CD1 3.81Å; E546-Y553 HydrophobicContact CG-CE1 3.9Å; E546-Y553 HydrophobicContact CG-CG 4.31Å
547	S	64.1	Low	82.7	Confident	58 Å²	58	56.5 Å²	56.5	41%	0.406	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15	-179.9	65.5	0	0	0	0	114.7	D544 M545	D544-S547 PolarHBondContact O-OG 2.75Å; D544-S547 VanDerWaalsContact O-OG 3.08Å; M545-S547 PolarHBondContact O-N 2.73Å; M545-S547 VanDerWaalsContact O-N 3.15Å
548	V	70.5	Confident	82.7	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.012	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-50.4	-176.3	179.6	0	0	0	0	110.7	I528 P530 M545 E546 F612	I528-V548 HydrophobicContact CB-CG2 3.81Å; I528-V548 HydrophobicContact CD1-CG2 4.11Å; I528-V548 HydrophobicContact CG2-CG2 3.84Å; P530-V548 HydrophobicContact CG-CG2 4.23Å; M545-V548 WeakPolarHBondContact O-CA 3.22Å; M545-V548 PolarHBondContact O-N 3.38Å; E546-V548 VanDerWaalsContact C-N 3.25Å; E546-V548 PolarHBondContact O-N 2.84Å; V548-F612 HydrophobicContact CB-CE1 4.23Å; V548-F612 HydrophobicContact CB-CZ 3.99Å; V548-F612 HydrophobicContact CG1-CE1 3.93Å; V548-F612 HydrophobicContact CG1-CZ 4.06Å; V548-F612 HydrophobicContact CG2-CE1 3.99Å; V548-F612 HydrophobicContact CG2-CZ 3.93Å
549	D	74	Confident	82.9	Confident	62 Å²	62	54 Å²	54	33%	0.332	29%	0.29	S	S	.	.			trans	-145	93	-178.9	-172.8	-24.7	0	0	0	108.5	M545 E551 Y552 Y553	M545-D549 CarbonylContact O-C 3.48Å; M545-D549 PolarHBondContact O-N 3.35Å; M545-D549 HydrophobicContact SD-CB 4.08Å; D549-E551 VanDerWaalsContact C-N 3.29Å; D549-E551 PolarHBondContact O-N 3.11Å; D549-E551 PolarHBondContact OD1-N 3.28Å; D549-Y552 WeakPolarHBondContact OD1-CB 3.26Å; D549-Y552 PolarHBondContact OD1-N 2.91Å; D549-Y552 WeakPolarHBondContact OD2-CB 3.46Å; D549-Y553 VanDerWaalsContact O-CB 3.23Å; D549-Y553 WeakPolarHBondContact O-CB 3.36Å; D549-Y553 PolarHBondContact O-N 2.76Å
550	S	70.8	Confident	83	Confident	64 Å²	64	53.1 Å²	53.1	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-67.6	-30.3	-177.4	-47.2	0	0	0	0	112.2	E546 N554	E546-S550 PolarHBondContact O-OG 3.5Å; S550-N554 WeakPolarHBondContact O-CB 3.49Å; S550-N554 PolarHBondContact O-N 2.96Å; S550-N554 PolarHBondContact O-ND2 2.79Å
551	E	77.5	Confident	83.2	Confident	156 Å²	156	57.5 Å²	57.5	73%	0.729	30%	0.299	S	S	*	.	H	α-helix	trans	-70.3	-47.7	178.4	-176.4	169.5	-164.7	0	0	110.7	D549 N554 S555	D549-E551 VanDerWaalsContact C-N 3.29Å; D549-E551 PolarHBondContact O-N 3.11Å; D549-E551 PolarHBondContact OD1-N 3.28Å; E551-N554 PolarHBondContact O-N 2.83Å; E551-S555 PolarHBondContact O-N 2.86Å
552	Y	84.5	Confident	83.6	Confident	80 Å²	80	57.3 Å²	57.3	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-67.9	-36.7	177.2	-162.4	-116.4	0	0	0	112.1	M545 D549 S555 L556 V607	M545-Y552 HydrophobicContact CE-CD1 3.62Å; M545-Y552 HydrophobicContact CE-CE1 3.99Å; M545-Y552 HydrophobicContact SD-CD1 4.14Å; D549-Y552 WeakPolarHBondContact OD1-CB 3.26Å; D549-Y552 PolarHBondContact OD1-N 2.91Å; D549-Y552 WeakPolarHBondContact OD2-CB 3.46Å; Y552-S555 PolarHBondContact O-N 2.9Å; Y552-L556 HydrophobicContact CD1-CD1 3.92Å; Y552-L556 HydrophobicContact CD1-CG 4.39Å; Y552-L556 HydrophobicContact CE1-CD1 3.76Å; Y552-L556 HydrophobicContact CE1-CG 4.24Å; Y552-L556 WeakPolarHBondContact O-CG 3.39Å; Y552-L556 PolarHBondContact O-N 2.77Å; Y552-V607 HydrophobicContact CE1-CG1 3.66Å; Y552-V607 VanDerWaalsContact OH-CG1 3.25Å; Y552-V607 WeakPolarHBondContact OH-CG1 3.24Å
553	Y	81.7	Confident	83.8	Confident	26 Å²	26	60.4 Å²	60.4	10%	0.102	31%	0.312	C	S	.	.	H	α-helix	trans	-55.2	-50.4	169.3	168.9	-104.4	0	0	0	111.8	L542 M545 E546 D549 S555 L556 L557	L542-Y553 HydrophobicContact CD1-CD2 3.82Å; L542-Y553 HydrophobicContact CD1-CE2 4.25Å; L542-Y553 HydrophobicContact CD2-CE2 4.48Å; L542-Y553 HydrophobicContact CG-CD2 3.92Å; L542-Y553 HydrophobicContact CG-CE2 3.82Å; L542-Y553 VanDerWaalsContact O-CD2 3.32Å; L542-Y553 WeakPolarHBondContact O-CD2 3.26Å; M545-Y553 HydrophobicContact CB-CD2 4.26Å; E546-Y553 HydrophobicContact CB-CD1 3.76Å; E546-Y553 HydrophobicContact CB-CD2 3.94Å; E546-Y553 HydrophobicContact CB-CE1 3.97Å; E546-Y553 HydrophobicContact CB-CE2 4.14Å; E546-Y553 HydrophobicContact CB-CG 3.74Å; E546-Y553 HydrophobicContact CG-CD1 3.81Å; E546-Y553 HydrophobicContact CG-CE1 3.9Å; E546-Y553 HydrophobicContact CG-CG 4.31Å; D549-Y553 VanDerWaalsContact O-CB 3.23Å; D549-Y553 WeakPolarHBondContact O-CB 3.36Å; D549-Y553 PolarHBondContact O-N 2.76Å; Y553-S555 VanDerWaalsContact C-N 3.28Å; Y553-S555 PolarHBondContact O-N 3.41Å; Y553-L556 PolarHBondContact O-N 3.17Å; Y553-L556 VanDerWaalsContact O-N 3.15Å; Y553-L557 HydrophobicContact CE1-CD2 4.03Å; Y553-L557 WeakPolarHBondContact O-CB 3.34Å; Y553-L557 PolarHBondContact O-N 2.77Å
554	N	85.3	Confident	84.4	Confident	95 Å²	95	56.5 Å²	56.5	51%	0.508	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-37.9	178.8	-73.6	-37.8	0	0	0	112.2	S550 E551 W558	S550-N554 WeakPolarHBondContact O-CB 3.49Å; S550-N554 PolarHBondContact O-N 2.96Å; S550-N554 PolarHBondContact O-ND2 2.79Å; E551-N554 PolarHBondContact O-N 2.83Å; N554-W558 WeakPolarHBondContact O-CB 3.31Å; N554-W558 PolarHBondContact O-N 2.85Å
555	S	89.7	Confident	84.6	Confident	63 Å²	63	59.4 Å²	59.4	44%	0.441	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-42.3	175.3	-174.2	0	0	0	0	112.3	E551 Y552 Y553 I559	E551-S555 PolarHBondContact O-N 2.86Å; Y552-S555 PolarHBondContact O-N 2.9Å; Y553-S555 VanDerWaalsContact C-N 3.28Å; Y553-S555 PolarHBondContact O-N 3.41Å; S555-I559 WeakPolarHBondContact O-CG1 3.45Å; S555-I559 PolarHBondContact O-N 3.42Å
556	L	92.4	Very high	85	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-72.7	-36.9	178.4	-68.3	177.8	0	0	0	112	L542 M545 Y552 Y553 W558 I559 E560 I604 V607 I608	L542-L556 HydrophobicContact CD1-CB 3.51Å; L542-L556 HydrophobicContact CD1-CD1 3.82Å; L542-L556 HydrophobicContact CD1-CG 4.34Å; L542-L556 HydrophobicContact CD2-CB 4.49Å; M545-L556 HydrophobicContact CE-CD1 4.4Å; Y552-L556 HydrophobicContact CD1-CD1 3.92Å; Y552-L556 HydrophobicContact CD1-CG 4.39Å; Y552-L556 HydrophobicContact CE1-CD1 3.76Å; Y552-L556 HydrophobicContact CE1-CG 4.24Å; Y552-L556 WeakPolarHBondContact O-CG 3.39Å; Y552-L556 PolarHBondContact O-N 2.77Å; Y553-L556 PolarHBondContact O-N 3.17Å; Y553-L556 VanDerWaalsContact O-N 3.15Å; L556-W558 VanDerWaalsContact C-N 3.31Å; L556-I559 HydrophobicContact CD2-CD1 4.37Å; L556-I559 WeakPolarHBondContact O-CB 3.33Å; L556-I559 PolarHBondContact O-N 3.2Å; L556-E560 PolarHBondContact O-N 2.91Å; L556-I604 HydrophobicContact CD2-CG1 4.41Å; L556-V607 HydrophobicContact CD1-CG1 4.1Å; L556-V607 HydrophobicContact CD2-CG1 4.24Å; L556-I608 HydrophobicContact CD1-CD1 3.97Å
557	L	90.7	Very high	85.8	Confident	46 Å²	46	66 Å²	66	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-41.1	173.3	-175.1	66.9	0	0	0	110.8	L542 Y553 I559 E560 D561	L542-L557 HydrophobicContact CD2-CB 4.48Å; L542-L557 HydrophobicContact CD2-CD1 4.35Å; Y553-L557 HydrophobicContact CE1-CD2 4.03Å; Y553-L557 WeakPolarHBondContact O-CB 3.34Å; Y553-L557 PolarHBondContact O-N 2.77Å; L557-I559 VanDerWaalsContact C-N 3.31Å; L557-I559 PolarHBondContact O-N 3.33Å; L557-E560 WeakPolarHBondContact O-CB 3.34Å; L557-E560 PolarHBondContact O-N 2.91Å; L557-E560 VanDerWaalsContact O-N 3.08Å; L557-D561 PolarHBondContact O-N 2.74Å
558	W	94.2	Very high	87	Confident	97 Å²	97	66.1 Å²	66.1	37%	0.367	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-42.4	173.5	-172.7	93.4	0	0	0	111.9	N554 L556 E560 D561 N562 L567	N554-W558 WeakPolarHBondContact O-CB 3.31Å; N554-W558 PolarHBondContact O-N 2.85Å; L556-W558 VanDerWaalsContact C-N 3.31Å; W558-E560 VanDerWaalsContact C-N 3.3Å; W558-E560 PolarHBondContact O-N 3.42Å; W558-D561 PolarHBondContact O-N 3.36Å; W558-N562 HydrophobicContact CD2-CB 4.09Å; W558-N562 HydrophobicContact CE3-CB 4.17Å; W558-N562 HydrophobicContact CH2-CB 3.94Å; W558-N562 HydrophobicContact CZ2-CB 3.86Å; W558-N562 HydrophobicContact CZ3-CB 4.07Å; W558-N562 PolarHBondContact NE1-ND2 2.89Å; W558-N562 VanDerWaalsContact O-CB 3.29Å; W558-N562 WeakPolarHBondContact O-CB 3.49Å; W558-N562 PolarHBondContact O-N 3.27Å; W558-N562 PolarHBondContact O-ND2 2.86Å; W558-L567 HydrophobicContact CE3-CD1 4.01Å; W558-L567 HydrophobicContact CH2-CD1 4.4Å; W558-L567 HydrophobicContact CH2-CD2 4.4Å; W558-L567 HydrophobicContact CH2-CG 4.41Å; W558-L567 HydrophobicContact CZ3-CD1 3.48Å; W558-L567 VanDerWaalsContact CZ3-CD1 3.48Å; W558-L567 HydrophobicContact CZ3-CD2 4.23Å; W558-L567 HydrophobicContact CZ3-CG 3.93Å
559	I	94.2	Very high	88.1	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-37.2	175	-66.7	165.9	0	0	0	110.7	S555 L556 L557 P564 L567 L569 K600 Y603 I604	S555-I559 WeakPolarHBondContact O-CG1 3.45Å; S555-I559 PolarHBondContact O-N 3.42Å; L556-I559 HydrophobicContact CD2-CD1 4.37Å; L556-I559 WeakPolarHBondContact O-CB 3.33Å; L556-I559 PolarHBondContact O-N 3.2Å; L557-I559 VanDerWaalsContact C-N 3.31Å; L557-I559 PolarHBondContact O-N 3.33Å; I559-P564 HydrophobicContact CG2-CB 4.05Å; I559-P564 HydrophobicContact CG2-CG 4.16Å; I559-L567 HydrophobicContact CD1-CD1 4.45Å; I559-L567 HydrophobicContact CG1-CD1 4.03Å; I559-L569 HydrophobicContact CD1-CD1 3.58Å; I559-L569 HydrophobicContact CG1-CD1 4.28Å; I559-K600 HydrophobicContact CG2-CB 4.04Å; I559-K600 WeakPolarHBondContact O-CD 3.03Å; I559-K600 VanDerWaalsContact O-CE 3.3Å; I559-K600 WeakPolarHBondContact O-CE 3.44Å; I559-K600 PolarHBondContact O-NZ 3.05Å; I559-Y603 HydrophobicContact CD1-CE1 4.32Å; I559-I604 HydrophobicContact CB-CD1 4.39Å; I559-I604 HydrophobicContact CG2-CD1 4.07Å; I559-I604 HydrophobicContact CG2-CG1 4.25Å
560	E	93.5	Very high	89	Confident	79 Å²	79	67.3 Å²	67.3	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-41.6	175.9	-167.4	171.6	-144.1	0	0	111.7	L542 L556 L557 W558 K600 I604	L542-E560 VanDerWaalsContact CD2-OE2 3.24Å; L542-E560 WeakPolarHBondContact CD2-OE2 3.15Å; L556-E560 PolarHBondContact O-N 2.91Å; L557-E560 WeakPolarHBondContact O-CB 3.34Å; L557-E560 PolarHBondContact O-N 2.91Å; L557-E560 VanDerWaalsContact O-N 3.08Å; W558-E560 VanDerWaalsContact C-N 3.3Å; W558-E560 PolarHBondContact O-N 3.42Å; E560-K600 WeakPolarHBondContact O-CE 3.3Å; E560-K600 PolarHBondContact O-NZ 3.21Å; E560-I604 HydrophobicContact CB-CD1 3.79Å; E560-I604 HydrophobicContact CG-CD1 4.4Å
561	D	94.9	Very high	90.3	Very high	114 Å²	114	64.2 Å²	64.2	61%	0.61	33%	0.326	S	S	*	.	H	α-helix	trans	-85.5	-21.7	-175.2	-71.3	-24.2	0	0	0	114.1	L557 W558	L557-D561 PolarHBondContact O-N 2.74Å; W558-D561 PolarHBondContact O-N 3.36Å
562	N	95.2	Very high	91.1	Very high	65 Å²	65	58 Å²	58	35%	0.348	30%	0.298	S	S	.	.	S	Bend	trans	-123.8	165.3	-172.5	-58.1	-87.7	0	0	0	112.4	W558 P564 K600	W558-N562 HydrophobicContact CD2-CB 4.09Å; W558-N562 HydrophobicContact CE3-CB 4.17Å; W558-N562 HydrophobicContact CH2-CB 3.94Å; W558-N562 HydrophobicContact CZ2-CB 3.86Å; W558-N562 HydrophobicContact CZ3-CB 4.07Å; W558-N562 PolarHBondContact NE1-ND2 2.89Å; W558-N562 VanDerWaalsContact O-CB 3.29Å; W558-N562 WeakPolarHBondContact O-CB 3.49Å; W558-N562 PolarHBondContact O-N 3.27Å; W558-N562 PolarHBondContact O-ND2 2.86Å; N562-P564 VanDerWaalsContact O-CD 3.3Å; N562-P564 WeakPolarHBondContact O-CD 2.98Å; N562-K600 PolarHBondContact O-NZ 3.44Å
563	D	92.7	Very high	91.4	Very high	82 Å²	82	54.8 Å²	54.8	44%	0.439	29%	0.287	S	S	.	.			trans	-79	114.5	173.4	-174.2	-8.6	0	0	0	110	A565 N597	D563-A565 PolarHBondContact O-N 3.25Å; D563-A565 VanDerWaalsContact OD1-CB 3.25Å; D563-A565 WeakPolarHBondContact OD1-CB 3.32Å; D563-A565 PolarHBondContact OD1-N 2.86Å; D563-N597 HydrophobicContact CB-CB 4.34Å
564	P	92	Very high	91.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-81.4	5.4	-177.5	35.8	-37.6	0	0	0	113.5	I559 N562 E566 L567 L569 V595 K600	I559-P564 HydrophobicContact CG2-CB 4.05Å; I559-P564 HydrophobicContact CG2-CG 4.16Å; N562-P564 VanDerWaalsContact O-CD 3.3Å; N562-P564 WeakPolarHBondContact O-CD 2.98Å; P564-E566 PolarHBondContact O-N 3.02Å; P564-E566 VanDerWaalsContact O-N 3.11Å; P564-L567 HydrophobicContact CB-CD1 4.17Å; P564-L567 WeakPolarHBondContact O-CB 3.42Å; P564-L567 PolarHBondContact O-N 3.35Å; P564-L569 HydrophobicContact CB-CD1 4.48Å; P564-V595 HydrophobicContact CB-CG1 4.46Å; P564-V595 HydrophobicContact CG-CG1 3.8Å; P564-K600 HydrophobicContact CG-CB 4Å; P564-K600 HydrophobicContact CG-CD 4.41Å
565	A	87	Confident	91.1	Very high	61 Å²	61	55.7 Å²	55.7	50%	0.504	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-54.3	-33.2	-176.6	0	0	0	0	0	113.2	D563 L567	D563-A565 PolarHBondContact O-N 3.25Å; D563-A565 VanDerWaalsContact OD1-CB 3.25Å; D563-A565 WeakPolarHBondContact OD1-CB 3.32Å; D563-A565 PolarHBondContact OD1-N 2.86Å; A565-L567 VanDerWaalsContact C-N 3.32Å
566	E	87.6	Confident	90.3	Very high	155 Å²	155	58.5 Å²	58.5	72%	0.724	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-73.9	-19.1	177.4	63.7	179.1	-176	0	0	114.2	P564 D568	P564-E566 PolarHBondContact O-N 3.02Å; P564-E566 VanDerWaalsContact O-N 3.11Å; E566-D568 VanDerWaalsContact C-N 3.27Å; E566-D568 PolarHBondContact O-N 2.79Å
567	L	89	Confident	89	Confident	76 Å²	76	58.8 Å²	58.8	40%	0.398	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-78.9	-8.2	179.4	-58.2	-177	0	0	0	113	W558 I559 P564 A565 L569	W558-L567 HydrophobicContact CE3-CD1 4.01Å; W558-L567 HydrophobicContact CH2-CD1 4.4Å; W558-L567 HydrophobicContact CH2-CD2 4.4Å; W558-L567 HydrophobicContact CH2-CG 4.41Å; W558-L567 HydrophobicContact CZ3-CD1 3.48Å; W558-L567 VanDerWaalsContact CZ3-CD1 3.48Å; W558-L567 HydrophobicContact CZ3-CD2 4.23Å; W558-L567 HydrophobicContact CZ3-CG 3.93Å; I559-L567 HydrophobicContact CD1-CD1 4.45Å; I559-L567 HydrophobicContact CG1-CD1 4.03Å; P564-L567 HydrophobicContact CB-CD1 4.17Å; P564-L567 WeakPolarHBondContact O-CB 3.42Å; P564-L567 PolarHBondContact O-N 3.35Å; A565-L567 VanDerWaalsContact C-N 3.32Å; L567-L569 HydrophobicContact CB-CD1 4.05Å; L567-L569 HydrophobicContact CB-CD2 4.41Å; L567-L569 HydrophobicContact CB-CG 3.69Å; L567-L569 HydrophobicContact CD1-CD1 3.81Å; L567-L569 HydrophobicContact CD1-CG 4.36Å; L567-L569 PolarHBondContact O-N 2.93Å
568	D	89.3	Confident	87.9	Confident	59 Å²	59	58.4 Å²	58.4	32%	0.316	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	34	-173.1	-163.2	53.6	0	0	0	113.9	R201 E566 K594	R201-D568 IonicContact CZ-OD2 2.86Å; R201-D568 VanDerWaalsContact CZ-OD2 3.29Å; R201-D568 IonicContact NH1-OD2 2.77Å; R201-D568 PolarHBondContact NH1-OD2 3.47Å; R201-D568 IonicContact NH2-OD2 2.82Å; R201-D568 PolarHBondContact NH2-OD2 3.43Å; E566-D568 VanDerWaalsContact C-N 3.27Å; E566-D568 PolarHBondContact O-N 2.79Å; D568-K594 WeakPolarHBondContact OD1-CE 3.38Å; D568-K594 IonicContact OD1-NZ 2.87Å; D568-K594 PolarHBondContact OD1-NZ 3.48Å
569	L	93.1	Very high	86.6	Confident	45 Å²	45	55.4 Å²	55.4	24%	0.236	30%	0.296	C	S	.	.			trans	-66.8	152.4	178.2	-64	175.7	0	0	0	110.8	I559 P564 L567 K594 V595 Y603	I559-L569 HydrophobicContact CD1-CD1 3.58Å; I559-L569 HydrophobicContact CG1-CD1 4.28Å; P564-L569 HydrophobicContact CB-CD1 4.48Å; L567-L569 HydrophobicContact CB-CD1 4.05Å; L567-L569 HydrophobicContact CB-CD2 4.41Å; L567-L569 HydrophobicContact CB-CG 3.69Å; L567-L569 HydrophobicContact CD1-CD1 3.81Å; L567-L569 HydrophobicContact CD1-CG 4.36Å; L567-L569 PolarHBondContact O-N 2.93Å; L569-K594 CarbonylContact O-C 3.17Å; L569-K594 WeakPolarHBondContact O-CA 3.27Å; L569-V595 HydrophobicContact CB-CB 3.87Å; L569-V595 HydrophobicContact CB-CG2 3.72Å; L569-V595 PolarHBondContact O-N 3.08Å; L569-Y603 HydrophobicContact CD1-CE1 4.28Å
570	R	94.5	Very high	85.5	Confident	44 Å²	44	58 Å²	58	17%	0.166	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-130.2	170	173.2	-57.4	-165.8	-178.8	-141.6	-5.2	109.8	R201 V572 L591 L593 Y603	R201-R570 VanDerWaalsContact NH2-NH2 3.2Å; R570-V572 HydrophobicContact CB-CG2 4.25Å; R570-V572 PolarHBondContact O-N 2.9Å; R570-L591 WeakPolarHBondContact CD-O 3.44Å; R570-L591 PolarHBondContact NH1-O 3.37Å; R570-L593 VanDerWaalsContact CA-O 3.22Å; R570-L593 WeakPolarHBondContact CA-O 3.46Å; R570-L593 WeakPolarHBondContact CB-O 3.34Å; R570-Y603 WeakPolarHBondContact O-CE2 3.37Å
571	F	96.8	Very high	84.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-76.5	57.3	178.7	-80.2	-108.3	0	0	0	111.9	L586 K587 G590 L593 V595 N599 E602 Y603 L606	F571-L586 WeakPolarHBondContact O-CB 3.49Å; F571-L586 PolarHBondContact O-N 2.79Å; F571-K587 HydrophobicContact CB-CG 4.26Å; F571-K587 HydrophobicContact CD1-CD 3.72Å; F571-K587 HydrophobicContact CD1-CG 4.14Å; F571-K587 HydrophobicContact CE1-CD 4.15Å; F571-K587 HydrophobicContact CG-CD 4.35Å; F571-K587 HydrophobicContact CG-CG 4.48Å; F571-G590 PolarHBondContact N-O 3.4Å; F571-G590 WeakPolarHBondContact O-CA 3.49Å; F571-L593 HydrophobicContact CD2-CB 4.17Å; F571-L593 HydrophobicContact CD2-CD2 3.61Å; F571-L593 HydrophobicContact CD2-CG 3.88Å; F571-L593 HydrophobicContact CE2-CD2 3.72Å; F571-L593 HydrophobicContact CE2-CG 4.11Å; F571-L593 HydrophobicContact CG-CD2 4.09Å; F571-L593 HydrophobicContact CZ-CD2 4.28Å; F571-L593 PolarHBondContact N-O 3.24Å; F571-V595 HydrophobicContact CD2-CG2 3.94Å; F571-V595 HydrophobicContact CE2-CG2 3.94Å; F571-N599 HydrophobicContact CE2-CB 4.41Å; F571-N599 HydrophobicContact CZ-CB 4.1Å; F571-E602 HydrophobicContact CE1-CB 4.11Å; F571-E602 HydrophobicContact CE1-CG 4.03Å; F571-E602 HydrophobicContact CZ-CB 4.29Å; F571-Y603 HydrophobicContact CD1-CD2 4.31Å; F571-Y603 HydrophobicContact CG-CD2 4.29Å; F571-L606 HydrophobicContact CD1-CD1 3.69Å; F571-L606 HydrophobicContact CE1-CD1 3.86Å
572	V	94.4	Very high	84.1	Confident	25 Å²	25	54.9 Å²	54.9	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.8	179	-56.4	0	0	0	0	110.3	R570 T583 R584 E585 L591	R570-V572 HydrophobicContact CB-CG2 4.25Å; R570-V572 PolarHBondContact O-N 2.9Å; V572-T583 HydrophobicContact CB-CG2 3.9Å; V572-T583 HydrophobicContact CG1-CG2 4.34Å; V572-T583 HydrophobicContact CG2-CG2 4.02Å; V572-R584 CarbonylContact C-O 3.59Å; V572-R584 WeakPolarHBondContact CA-O 3.28Å; V572-R584 WeakPolarHBondContact CB-O 3.45Å; V572-E585 HydrophobicContact CG1-CG 4.31Å; V572-L591 HydrophobicContact CG1-CB 4.45Å; V572-L591 HydrophobicContact CG1-CD2 3.76Å; V572-L591 HydrophobicContact CG1-CG 3.91Å
573	V	90.3	Very high	83.8	Confident	13 Å²	13	54.5 Å²	54.5	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.6	172.4	-73.2	0	0	0	0	108.8	R584 L586 V607 W610	V573-R584 HydrophobicContact CG2-CB 4.23Å; V573-R584 PolarHBondContact N-O 3.4Å; V573-R584 PolarHBondContact O-N 3.48Å; V573-L586 HydrophobicContact CB-CD2 4.43Å; V573-L586 HydrophobicContact CG1-CD1 4.02Å; V573-L586 HydrophobicContact CG1-CD2 3.72Å; V573-L586 HydrophobicContact CG1-CG 4.01Å; V573-L586 HydrophobicContact CG2-CD2 3.85Å; V573-L586 HydrophobicContact CG2-CG 4.37Å; V573-V607 HydrophobicContact CG1-CG2 4.04Å; V573-W610 HydrophobicContact CG2-CG 4.3Å
574	D	85.1	Confident	83.6	Confident	99 Å²	99	55.9 Å²	55.9	53%	0.529	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.6	172.7	-69.4	-28.8	0	0	0	108.5	T581 T583	D574-T581 HydrophobicContact CB-CG2 3.72Å; D574-T583 WeakPolarHBondContact OD1-CA 3.49Å; D574-T583 WeakPolarHBondContact OD1-CB 3.45Å; D574-T583 WeakPolarHBondContact OD1-CG2 3.33Å; D574-T583 PolarHBondContact OD1-OG1 3.46Å
575	E	75.9	Confident	83.7	Confident	41 Å²	41	59 Å²	59	19%	0.192	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.6	179.9	-176	162.5	-119.4	0	0	109.6	T577 T581 Q582 R615	E575-T577 PolarHBondContact O-N 3.46Å; E575-T581 WeakPolarHBondContact O-CA 3.33Å; E575-Q582 PolarHBondContact N-O 3.46Å; E575-Q582 PolarHBondContact O-N 2.89Å; E575-R615 WeakPolarHBondContact OE1-CD 3.38Å; E575-R615 IonicContact OE1-CZ 2.71Å; E575-R615 IonicContact OE1-NE 2.71Å; E575-R615 IonicContact OE1-NH1 3.72Å; E575-R615 PolarHBondContact OE1-NH1 2.98Å
576	E	73	Confident	84	Confident	122 Å²	122	57 Å²	57	57%	0.57	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	107.2	171.8	-170.5	177.3	168.9	0	0	109.1
577	T	66.5	Low	84.3	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.5	174.2	-43.1	0	0	0	0	108.3	W223 E575 G579 V580	W223-T577 HydrophobicContact CH2-CG2 3.8Å; W223-T577 HydrophobicContact CZ2-CG2 4.1Å; W223-T577 HydrophobicContact CZ3-CG2 4.5Å; E575-T577 PolarHBondContact O-N 3.46Å; T577-G579 VanDerWaalsContact C-N 3.28Å; T577-G579 PolarHBondContact O-N 2.9Å; T577-V580 PolarHBondContact N-O 3.06Å; T577-V580 PolarHBondContact O-N 3.14Å
578	F	67	Low	84.6	Confident	38 Å²	38	54.2 Å²	54.2	17%	0.167	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	38.9	179.9	-49.5	-59.9	0	0	0	114.5	W223 Q226 N494 L497 V580	W223-F578 AromaticContact CD2-CD2 3.69Å; W223-F578 HydrophobicContact CD2-CD2 3.69Å; W223-F578 AromaticContact CD2-CE2 3.76Å; W223-F578 HydrophobicContact CD2-CE2 3.76Å; W223-F578 AromaticContact CE2-CD2 3.93Å; W223-F578 AromaticContact CE3-CD2 3.77Å; W223-F578 HydrophobicContact CE3-CD2 3.77Å; W223-F578 AromaticContact CE3-CE2 3.32Å; W223-F578 HydrophobicContact CE3-CE2 3.32Å; W223-F578 HydrophobicContact CE3-CZ 4.33Å; W223-F578 HydrophobicContact CG-CD2 4.34Å; W223-F578 HydrophobicContact CH2-CD2 4.19Å; W223-F578 AromaticContact CH2-CE2 3.86Å; W223-F578 HydrophobicContact CH2-CE2 3.86Å; W223-F578 HydrophobicContact CZ2-CD2 4.12Å; W223-F578 HydrophobicContact CZ2-CE2 4.25Å; W223-F578 HydrophobicContact CZ3-CD2 4.09Å; W223-F578 AromaticContact CZ3-CE2 3.45Å; W223-F578 HydrophobicContact CZ3-CE2 3.45Å; W223-F578 VanDerWaalsContact CZ3-CE2 3.45Å; W223-F578 HydrophobicContact CZ3-CZ 4.49Å; Q226-F578 HydrophobicContact CB-CD1 3.62Å; Q226-F578 HydrophobicContact CB-CE1 3.65Å; Q226-F578 HydrophobicContact CB-CG 4.36Å; Q226-F578 HydrophobicContact CB-CZ 4.48Å; Q226-F578 HydrophobicContact CG-CB 4.31Å; Q226-F578 HydrophobicContact CG-CD1 3.36Å; Q226-F578 HydrophobicContact CG-CE1 3.92Å; Q226-F578 HydrophobicContact CG-CG 4.03Å; N494-F578 HydrophobicContact CB-CZ 4.41Å; L497-F578 HydrophobicContact CD1-CE2 3.43Å; L497-F578 VanDerWaalsContact CD1-CE2 3.43Å; L497-F578 HydrophobicContact CD1-CZ 3.37Å; F578-V580 PolarHBondContact O-N 2.8Å
579	G	65.6	Low	84.8	Confident	35 Å²	35	53.4 Å²	53.4	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-1.3	-179.4	0	0	0	0	0	114.4	T577	T577-G579 VanDerWaalsContact C-N 3.28Å; T577-G579 PolarHBondContact O-N 2.9Å
580	V	72.6	Confident	84.8	Confident	57 Å²	57	51.2 Å²	51.2	35%	0.345	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.5	174.3	-177.1	0	0	0	0	109.1	L222 T577 F578 Q582	L222-V580 HydrophobicContact CD1-CG2 4.07Å; T577-V580 PolarHBondContact N-O 3.06Å; T577-V580 PolarHBondContact O-N 3.14Å; F578-V580 PolarHBondContact O-N 2.8Å; V580-Q582 HydrophobicContact CG1-CG 4.28Å; V580-Q582 PolarHBondContact O-N 3.23Å
581	T	78.9	Confident	84.7	Confident	40 Å²	40	53.4 Å²	53.4	25%	0.245	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.9	173.1	-52.1	0	0	0	0	110	D574 E575	D574-T581 HydrophobicContact CB-CG2 3.72Å; E575-T581 WeakPolarHBondContact O-CA 3.33Å
582	Q	78.8	Confident	84.5	Confident	88 Å²	88	60.3 Å²	60.3	41%	0.411	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.6	176.1	-61.1	-174	24.4	0	0	110.1	E575 V580	E575-Q582 PolarHBondContact N-O 3.46Å; E575-Q582 PolarHBondContact O-N 2.89Å; V580-Q582 HydrophobicContact CG1-CG 4.28Å; V580-Q582 PolarHBondContact O-N 3.23Å
583	T	88.5	Confident	84.5	Confident	57 Å²	57	62.2 Å²	62.2	35%	0.35	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.3	175.9	-54.1	0	0	0	0	110.3	V572 D574 L591	V572-T583 HydrophobicContact CB-CG2 3.9Å; V572-T583 HydrophobicContact CG1-CG2 4.34Å; V572-T583 HydrophobicContact CG2-CG2 4.02Å; D574-T583 WeakPolarHBondContact OD1-CA 3.49Å; D574-T583 WeakPolarHBondContact OD1-CB 3.45Å; D574-T583 WeakPolarHBondContact OD1-CG2 3.33Å; D574-T583 PolarHBondContact OD1-OG1 3.46Å; T583-L591 HydrophobicContact CG2-CD2 4.2Å
584	R	88.6	Confident	84.7	Confident	112 Å²	112	66.5 Å²	66.5	42%	0.423	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.8	-179.9	-169.1	-174.5	-172.1	-84.7	6.9	111.7	V572 V573 W610	V572-R584 CarbonylContact C-O 3.59Å; V572-R584 WeakPolarHBondContact CA-O 3.28Å; V572-R584 WeakPolarHBondContact CB-O 3.45Å; V573-R584 HydrophobicContact CG2-CB 4.23Å; V573-R584 PolarHBondContact N-O 3.4Å; V573-R584 PolarHBondContact O-N 3.48Å; R584-W610 VanDerWaalsContact NE-CZ3 3.31Å; R584-W610 VanDerWaalsContact NH1-CZ3 3.34Å
585	E	94.8	Very high	85.2	Confident	64 Å²	64	62 Å²	62	30%	0.299	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.5	170.3	-67.4	-163.9	145.4	0	0	112.1	V572 G589 G590 L591	V572-E585 HydrophobicContact CG1-CG 4.31Å; E585-G589 PolarHBondContact OE2-N 3.33Å; E585-G590 PolarHBondContact OE1-N 3.41Å; E585-L591 HydrophobicContact CG-CB 4.41Å; E585-L591 HydrophobicContact CG-CD1 3.96Å; E585-L591 HydrophobicContact CG-CG 3.71Å; E585-L591 WeakPolarHBondContact OE1-CB 3.49Å; E585-L591 WeakPolarHBondContact OE1-CD1 3.29Å; E585-L591 VanDerWaalsContact OE1-CG 3.28Å; E585-L591 WeakPolarHBondContact OE1-CG 3.37Å; E585-L591 PolarHBondContact OE1-N 2.87Å
586	L	93.8	Very high	86	Confident	20 Å²	20	62.7 Å²	62.7	11%	0.105	34%	0.34	C	S	.	.	S	Bend	trans	-77.6	-28.3	173.2	-71.7	174.9	0	0	0	112.3	F571 V573 Y603 L606 V607 W610	F571-L586 WeakPolarHBondContact O-CB 3.49Å; F571-L586 PolarHBondContact O-N 2.79Å; V573-L586 HydrophobicContact CB-CD2 4.43Å; V573-L586 HydrophobicContact CG1-CD1 4.02Å; V573-L586 HydrophobicContact CG1-CD2 3.72Å; V573-L586 HydrophobicContact CG1-CG 4.01Å; V573-L586 HydrophobicContact CG2-CD2 3.85Å; V573-L586 HydrophobicContact CG2-CG 4.37Å; L586-Y603 HydrophobicContact CD1-CD2 3.77Å; L586-Y603 HydrophobicContact CD1-CE2 3.63Å; L586-L606 HydrophobicContact CB-CB 4.08Å; L586-L606 HydrophobicContact CB-CD1 4.34Å; L586-L606 HydrophobicContact CD1-CB 4.13Å; L586-L606 HydrophobicContact CD2-CB 4.45Å; L586-L606 HydrophobicContact CG-CB 4.48Å; L586-V607 HydrophobicContact CD1-CG2 3.66Å; L586-W610 HydrophobicContact CD2-CB 3.82Å; L586-W610 HydrophobicContact CD2-CG 4.13Å
587	K	94.5	Very high	87.1	Confident	45 Å²	45	60.3 Å²	60.3	20%	0.196	33%	0.332	C	S	.	.	S	Bend	trans	-150.4	159.4	175.4	70.8	-175	-169.7	-173.5	0	110.1	F571 G589 G590 E602 L606	F571-K587 HydrophobicContact CB-CG 4.26Å; F571-K587 HydrophobicContact CD1-CD 3.72Å; F571-K587 HydrophobicContact CD1-CG 4.14Å; F571-K587 HydrophobicContact CE1-CD 4.15Å; F571-K587 HydrophobicContact CG-CD 4.35Å; F571-K587 HydrophobicContact CG-CG 4.48Å; K587-G589 PolarHBondContact O-N 2.91Å; K587-G590 WeakPolarHBondContact O-CA 3.35Å; K587-G590 PolarHBondContact O-N 2.93Å; K587-E602 WeakPolarHBondContact CD-OE1 3.31Å; K587-E602 IonicContact NZ-OE1 2.74Å; K587-E602 PolarHBondContact NZ-OE1 3.07Å; K587-E602 IonicContact NZ-OE2 2.73Å; K587-E602 PolarHBondContact NZ-OE2 3.17Å; K587-L606 HydrophobicContact CB-CD1 4.21Å; K587-L606 HydrophobicContact CD-CD1 3.84Å; K587-L606 HydrophobicContact CG-CD1 4.33Å
588	P	94.3	Very high	88.5	Confident	128 Å²	128	67.2 Å²	67.2	83%	0.831	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.5	-179.6	-26.7	35.3	0	0	0	112.6	G590	P588-G590 VanDerWaalsContact C-N 3.26Å; P588-G590 PolarHBondContact O-N 2.68Å
589	G	93.4	Very high	89.8	Confident	41 Å²	41	66.8 Å²	66.8	42%	0.423	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	13.1	-177.5	0	0	0	0	0	113.8	E585 K587 L591 L592 L593	E585-G589 PolarHBondContact OE2-N 3.33Å; K587-G589 PolarHBondContact O-N 2.91Å; G589-L591 PolarHBondContact O-N 3.33Å; G589-L592 PolarHBondContact O-N 3.16Å; G589-L592 VanDerWaalsContact O-N 3.08Å; G589-L593 PolarHBondContact O-N 3.28Å
590	G	93.9	Very high	91.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.4	-178.5	0	0	0	0	0	113.9	F571 E585 K587 P588 L592 L593	F571-G590 PolarHBondContact N-O 3.4Å; F571-G590 WeakPolarHBondContact O-CA 3.49Å; E585-G590 PolarHBondContact OE1-N 3.41Å; K587-G590 WeakPolarHBondContact O-CA 3.35Å; K587-G590 PolarHBondContact O-N 2.93Å; P588-G590 VanDerWaalsContact C-N 3.26Å; P588-G590 PolarHBondContact O-N 2.68Å; G590-L592 PolarHBondContact O-N 3.2Å; G590-L593 PolarHBondContact O-N 3.04Å
591	L	92	Very high	92.4	Very high	90 Å²	90	67.2 Å²	67.2	47%	0.471	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.7	174.2	-80	163.1	0	0	0	113.1	R570 V572 T583 E585 G589	R570-L591 WeakPolarHBondContact CD-O 3.44Å; R570-L591 PolarHBondContact NH1-O 3.37Å; V572-L591 HydrophobicContact CG1-CB 4.45Å; V572-L591 HydrophobicContact CG1-CD2 3.76Å; V572-L591 HydrophobicContact CG1-CG 3.91Å; T583-L591 HydrophobicContact CG2-CD2 4.2Å; E585-L591 HydrophobicContact CG-CB 4.41Å; E585-L591 HydrophobicContact CG-CD1 3.96Å; E585-L591 HydrophobicContact CG-CG 3.71Å; E585-L591 WeakPolarHBondContact OE1-CB 3.49Å; E585-L591 WeakPolarHBondContact OE1-CD1 3.29Å; E585-L591 VanDerWaalsContact OE1-CG 3.28Å; E585-L591 WeakPolarHBondContact OE1-CG 3.37Å; E585-L591 PolarHBondContact OE1-N 2.87Å; G589-L591 PolarHBondContact O-N 3.33Å
592	L	92.5	Very high	93.2	Very high	145 Å²	145	69.5 Å²	69.5	76%	0.759	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-16.9	-179.4	-62.8	-179.2	0	0	0	112.9	G589 G590	G589-L592 PolarHBondContact O-N 3.16Å; G589-L592 VanDerWaalsContact O-N 3.08Å; G590-L592 PolarHBondContact O-N 3.2Å
593	L	93.6	Very high	94.1	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.335	35%	0.351	S	S	.	.			trans	-89	112.1	-176.8	-170	69.7	0	0	0	111.2	R570 F571 G589 G590	R570-L593 VanDerWaalsContact CA-O 3.22Å; R570-L593 WeakPolarHBondContact CA-O 3.46Å; R570-L593 WeakPolarHBondContact CB-O 3.34Å; F571-L593 HydrophobicContact CD2-CB 4.17Å; F571-L593 HydrophobicContact CD2-CD2 3.61Å; F571-L593 HydrophobicContact CD2-CG 3.88Å; F571-L593 HydrophobicContact CE2-CD2 3.72Å; F571-L593 HydrophobicContact CE2-CG 4.11Å; F571-L593 HydrophobicContact CG-CD2 4.09Å; F571-L593 HydrophobicContact CZ-CD2 4.28Å; F571-L593 PolarHBondContact N-O 3.24Å; G589-L593 PolarHBondContact O-N 3.28Å; G590-L593 PolarHBondContact O-N 3.04Å
594	K	94.6	Very high	94.4	Very high	104 Å²	104	63.8 Å²	63.8	45%	0.452	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-71.2	143	173	-64.1	-165.1	179.1	-150.7	0	111.5	D568 L569 N599	D568-K594 WeakPolarHBondContact OD1-CE 3.38Å; D568-K594 IonicContact OD1-NZ 2.87Å; D568-K594 PolarHBondContact OD1-NZ 3.48Å; L569-K594 CarbonylContact O-C 3.17Å; L569-K594 WeakPolarHBondContact O-CA 3.27Å; K594-N599 PolarHBondContact O-ND2 3.42Å
595	V	95.5	Very high	94.8	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	34%	0.342	C	S	.	.			trans	-76.9	124.8	168.1	-173.2	0	0	0	0	107.8	P564 L569 F571 N599 K600 Y603	P564-V595 HydrophobicContact CB-CG1 4.46Å; P564-V595 HydrophobicContact CG-CG1 3.8Å; L569-V595 HydrophobicContact CB-CB 3.87Å; L569-V595 HydrophobicContact CB-CG2 3.72Å; L569-V595 PolarHBondContact O-N 3.08Å; F571-V595 HydrophobicContact CD2-CG2 3.94Å; F571-V595 HydrophobicContact CE2-CG2 3.94Å; V595-N599 VanDerWaalsContact CA-OD1 3.27Å; V595-N599 WeakPolarHBondContact CA-OD1 3.43Å; V595-K600 HydrophobicContact CG1-CB 4.02Å; V595-Y603 HydrophobicContact CG1-CD1 4.37Å; V595-Y603 HydrophobicContact CG1-CG 4.21Å; V595-Y603 HydrophobicContact CG2-CD1 4.24Å; V595-Y603 HydrophobicContact CG2-CD2 3.6Å; V595-Y603 HydrophobicContact CG2-CE2 4.11Å; V595-Y603 HydrophobicContact CG2-CG 3.68Å
596	T	94.2	Very high	94.9	Very high	55 Å²	55	60.9 Å²	60.9	34%	0.337	34%	0.336	S	S	.	.			trans	-122.2	168.2	178.4	65.1	0	0	0	0	108.8	D598 N599 K600	T596-D598 PolarHBondContact O-N 3.38Å; T596-D598 VanDerWaalsContact O-N 3.12Å; T596-N599 PolarHBondContact N-OD1 2.89Å; T596-N599 PolarHBondContact O-N 3.34Å; T596-N599 VanDerWaalsContact O-N 3.16Å; T596-N599 PolarHBondContact O-OD1 3.08Å; T596-N599 PolarHBondContact OG1-ND2 2.95Å; T596-K600 WeakPolarHBondContact O-CB 3.35Å; T596-K600 PolarHBondContact O-N 3.37Å
597	N	94.8	Very high	94.9	Very high	73 Å²	73	60 Å²	60	39%	0.39	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.6	177	-161.7	42.6	0	0	0	113.3	D563 K600	D563-N597 HydrophobicContact CB-CB 4.34Å; N597-K600 WeakPolarHBondContact O-CD 3.23Å; N597-K600 WeakPolarHBondContact O-CG 3.38Å; N597-K600 WeakPolarHBondContact OD1-CD 3.24Å; N597-K600 WeakPolarHBondContact OD1-CE 3.25Å; N597-K600 PolarHBondContact OD1-NZ 3.43Å
598	D	95.8	Very high	94.9	Very high	152 Å²	152	58 Å²	58	81%	0.813	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.2	-178.5	-61.7	-34.1	0	0	0	113.7	T596	T596-D598 PolarHBondContact O-N 3.38Å; T596-D598 VanDerWaalsContact O-N 3.12Å
599	N	95.9	Very high	94.9	Very high	28 Å²	28	57.8 Å²	57.8	15%	0.15	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-0.7	-173.3	72.9	20.4	0	0	0	114	F571 K594 V595 T596 N601 E602 Y603	F571-N599 HydrophobicContact CE2-CB 4.41Å; F571-N599 HydrophobicContact CZ-CB 4.1Å; K594-N599 PolarHBondContact O-ND2 3.42Å; V595-N599 VanDerWaalsContact CA-OD1 3.27Å; V595-N599 WeakPolarHBondContact CA-OD1 3.43Å; T596-N599 PolarHBondContact N-OD1 2.89Å; T596-N599 PolarHBondContact O-N 3.34Å; T596-N599 VanDerWaalsContact O-N 3.16Å; T596-N599 PolarHBondContact O-OD1 3.08Å; T596-N599 PolarHBondContact OG1-ND2 2.95Å; N599-N601 VanDerWaalsContact C-N 3.29Å; N599-N601 PolarHBondContact O-N 2.93Å; N599-E602 WeakPolarHBondContact O-CB 3.16Å; N599-E602 PolarHBondContact O-N 2.92Å; N599-Y603 PolarHBondContact O-N 3.18Å
600	K	96.1	Very high	94.9	Very high	16 Å²	16	57.3 Å²	57.3	7%	0.07	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-35.7	-176.4	73.2	-166.5	-163.8	170.7	0	114.4	I559 E560 N562 P564 V595 T596 N597 E602 Y603 I604	I559-K600 HydrophobicContact CG2-CB 4.04Å; I559-K600 WeakPolarHBondContact O-CD 3.03Å; I559-K600 VanDerWaalsContact O-CE 3.3Å; I559-K600 WeakPolarHBondContact O-CE 3.44Å; I559-K600 PolarHBondContact O-NZ 3.05Å; E560-K600 WeakPolarHBondContact O-CE 3.3Å; E560-K600 PolarHBondContact O-NZ 3.21Å; N562-K600 PolarHBondContact O-NZ 3.44Å; P564-K600 HydrophobicContact CG-CB 4Å; P564-K600 HydrophobicContact CG-CD 4.41Å; V595-K600 HydrophobicContact CG1-CB 4.02Å; T596-K600 WeakPolarHBondContact O-CB 3.35Å; T596-K600 PolarHBondContact O-N 3.37Å; N597-K600 WeakPolarHBondContact O-CD 3.23Å; N597-K600 WeakPolarHBondContact O-CG 3.38Å; N597-K600 WeakPolarHBondContact OD1-CD 3.24Å; N597-K600 WeakPolarHBondContact OD1-CE 3.25Å; N597-K600 PolarHBondContact OD1-NZ 3.43Å; K600-E602 VanDerWaalsContact C-N 3.3Å; K600-E602 PolarHBondContact O-N 3.43Å; K600-Y603 WeakPolarHBondContact O-CB 3.44Å; K600-Y603 PolarHBondContact O-N 3.36Å; K600-Y603 VanDerWaalsContact O-N 3.17Å; K600-I604 WeakPolarHBondContact O-CG1 3.49Å; K600-I604 PolarHBondContact O-N 3.11Å
601	N	96	Very high	94.8	Very high	85 Å²	85	59.5 Å²	59.5	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-33.7	178.3	-66.7	-31.7	0	0	0	112.1	N599 S605	N599-N601 VanDerWaalsContact C-N 3.29Å; N599-N601 PolarHBondContact O-N 2.93Å; N601-S605 WeakPolarHBondContact O-CB 3.23Å; N601-S605 PolarHBondContact O-N 2.76Å; N601-S605 PolarHBondContact O-OG 3.11Å
602	E	96.4	Very high	94.8	Very high	89 Å²	89	55.5 Å²	55.5	42%	0.416	28%	0.282	S	S	.	.	H	α-helix	trans	-67.6	-43.2	172.7	-168.7	-163.8	171.1	0	0	110.4	F571 K587 N599 K600 S605 L606	F571-E602 HydrophobicContact CE1-CB 4.11Å; F571-E602 HydrophobicContact CE1-CG 4.03Å; F571-E602 HydrophobicContact CZ-CB 4.29Å; K587-E602 WeakPolarHBondContact CD-OE1 3.31Å; K587-E602 IonicContact NZ-OE1 2.74Å; K587-E602 PolarHBondContact NZ-OE1 3.07Å; K587-E602 IonicContact NZ-OE2 2.73Å; K587-E602 PolarHBondContact NZ-OE2 3.17Å; N599-E602 WeakPolarHBondContact O-CB 3.16Å; N599-E602 PolarHBondContact O-N 2.92Å; K600-E602 VanDerWaalsContact C-N 3.3Å; K600-E602 PolarHBondContact O-N 3.43Å; E602-S605 PolarHBondContact O-N 3.11Å; E602-L606 HydrophobicContact CG-CD1 4.12Å; E602-L606 WeakPolarHBondContact O-CB 3.45Å; E602-L606 VanDerWaalsContact O-CG 3.31Å; E602-L606 WeakPolarHBondContact O-CG 3.29Å; E602-L606 PolarHBondContact O-N 3.27Å
603	Y	96.6	Very high	94.9	Very high	17 Å²	17	51 Å²	51	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-52.7	175.5	173.5	-102.6	0	0	0	111.4	I559 L569 R570 F571 L586 V595 N599 K600 S605 L606 V607	I559-Y603 HydrophobicContact CD1-CE1 4.32Å; L569-Y603 HydrophobicContact CD1-CE1 4.28Å; R570-Y603 WeakPolarHBondContact O-CE2 3.37Å; F571-Y603 HydrophobicContact CD1-CD2 4.31Å; F571-Y603 HydrophobicContact CG-CD2 4.29Å; L586-Y603 HydrophobicContact CD1-CD2 3.77Å; L586-Y603 HydrophobicContact CD1-CE2 3.63Å; V595-Y603 HydrophobicContact CG1-CD1 4.37Å; V595-Y603 HydrophobicContact CG1-CG 4.21Å; V595-Y603 HydrophobicContact CG2-CD1 4.24Å; V595-Y603 HydrophobicContact CG2-CD2 3.6Å; V595-Y603 HydrophobicContact CG2-CE2 4.11Å; V595-Y603 HydrophobicContact CG2-CG 3.68Å; N599-Y603 PolarHBondContact O-N 3.18Å; K600-Y603 WeakPolarHBondContact O-CB 3.44Å; K600-Y603 PolarHBondContact O-N 3.36Å; K600-Y603 VanDerWaalsContact O-N 3.17Å; Y603-S605 VanDerWaalsContact C-N 3.33Å; Y603-S605 PolarHBondContact O-N 3.12Å; Y603-L606 PolarHBondContact O-N 3.31Å; Y603-L606 VanDerWaalsContact O-N 3.16Å; Y603-V607 HydrophobicContact CD1-CG2 4.31Å; Y603-V607 HydrophobicContact CD2-CG2 4.3Å; Y603-V607 HydrophobicContact CE1-CG2 3.89Å; Y603-V607 HydrophobicContact CE2-CG2 3.88Å; Y603-V607 WeakPolarHBondContact O-CG2 3.44Å; Y603-V607 PolarHBondContact O-N 3.12Å
604	I	96	Very high	94.9	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-56.7	-47.5	177.7	-65.3	166	0	0	0	110.5	L542 L556 I559 E560 K600 L606 V607 I608	L542-I604 HydrophobicContact CB-CG2 4.41Å; L542-I604 HydrophobicContact CD1-CG2 4.27Å; L542-I604 HydrophobicContact CD2-CG2 4.34Å; L556-I604 HydrophobicContact CD2-CG1 4.41Å; I559-I604 HydrophobicContact CB-CD1 4.39Å; I559-I604 HydrophobicContact CG2-CD1 4.07Å; I559-I604 HydrophobicContact CG2-CG1 4.25Å; E560-I604 HydrophobicContact CB-CD1 3.79Å; E560-I604 HydrophobicContact CG-CD1 4.4Å; K600-I604 WeakPolarHBondContact O-CG1 3.49Å; K600-I604 PolarHBondContact O-N 3.11Å; I604-L606 VanDerWaalsContact C-N 3.3Å; I604-L606 PolarHBondContact O-N 3.37Å; I604-V607 PolarHBondContact O-N 3.06Å; I604-I608 HydrophobicContact CG2-CG1 4.36Å; I604-I608 WeakPolarHBondContact O-CG1 3.31Å; I604-I608 PolarHBondContact O-N 3.42Å
605	S	95.7	Very high	94.9	Very high	77 Å²	77	47.8 Å²	47.8	54%	0.538	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-40.4	179.6	-62.1	0	0	0	0	112.4	N601 E602 Y603 K609	N601-S605 WeakPolarHBondContact O-CB 3.23Å; N601-S605 PolarHBondContact O-N 2.76Å; N601-S605 PolarHBondContact O-OG 3.11Å; E602-S605 PolarHBondContact O-N 3.11Å; Y603-S605 VanDerWaalsContact C-N 3.33Å; Y603-S605 PolarHBondContact O-N 3.12Å; S605-K609 VanDerWaalsContact O-CB 3.28Å; S605-K609 WeakPolarHBondContact O-CB 3.41Å; S605-K609 PolarHBondContact O-N 3.48Å
606	L	96.4	Very high	94.8	Very high	37 Å²	37	48 Å²	48	19%	0.194	25%	0.25	C	S	.	.	H	α-helix	trans	-71.1	-37.9	177.5	-72.1	170	0	0	0	112.3	F571 L586 K587 E602 Y603 I604 K609 W610	F571-L606 HydrophobicContact CD1-CD1 3.69Å; F571-L606 HydrophobicContact CE1-CD1 3.86Å; L586-L606 HydrophobicContact CB-CB 4.08Å; L586-L606 HydrophobicContact CB-CD1 4.34Å; L586-L606 HydrophobicContact CD1-CB 4.13Å; L586-L606 HydrophobicContact CD2-CB 4.45Å; L586-L606 HydrophobicContact CG-CB 4.48Å; K587-L606 HydrophobicContact CB-CD1 4.21Å; K587-L606 HydrophobicContact CD-CD1 3.84Å; K587-L606 HydrophobicContact CG-CD1 4.33Å; E602-L606 HydrophobicContact CG-CD1 4.12Å; E602-L606 WeakPolarHBondContact O-CB 3.45Å; E602-L606 VanDerWaalsContact O-CG 3.31Å; E602-L606 WeakPolarHBondContact O-CG 3.29Å; E602-L606 PolarHBondContact O-N 3.27Å; Y603-L606 PolarHBondContact O-N 3.31Å; Y603-L606 VanDerWaalsContact O-N 3.16Å; I604-L606 VanDerWaalsContact C-N 3.3Å; I604-L606 PolarHBondContact O-N 3.37Å; L606-K609 PolarHBondContact O-N 2.93Å; L606-W610 VanDerWaalsContact O-CB 3.25Å; L606-W610 WeakPolarHBondContact O-CB 3.48Å; L606-W610 PolarHBondContact O-N 3.48Å
607	V	95.1	Very high	94.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-48.5	173	169.5	0	0	0	0	110.7	Y552 L556 V573 L586 Y603 I604 W610 R611	Y552-V607 HydrophobicContact CE1-CG1 3.66Å; Y552-V607 VanDerWaalsContact OH-CG1 3.25Å; Y552-V607 WeakPolarHBondContact OH-CG1 3.24Å; L556-V607 HydrophobicContact CD1-CG1 4.1Å; L556-V607 HydrophobicContact CD2-CG1 4.24Å; V573-V607 HydrophobicContact CG1-CG2 4.04Å; L586-V607 HydrophobicContact CD1-CG2 3.66Å; Y603-V607 HydrophobicContact CD1-CG2 4.31Å; Y603-V607 HydrophobicContact CD2-CG2 4.3Å; Y603-V607 HydrophobicContact CE1-CG2 3.89Å; Y603-V607 HydrophobicContact CE2-CG2 3.88Å; Y603-V607 WeakPolarHBondContact O-CG2 3.44Å; Y603-V607 PolarHBondContact O-N 3.12Å; I604-V607 PolarHBondContact O-N 3.06Å; V607-W610 PolarHBondContact O-N 2.7Å; V607-R611 WeakPolarHBondContact O-CB 3.17Å; V607-R611 PolarHBondContact O-N 3.06Å
608	I	93.5	Very high	95.1	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-47.5	178.2	-66.5	-61.8	0	0	0	111	I540 L542 M545 L556 I604 W610 R611 F612	I540-I608 HydrophobicContact CB-CG2 4.06Å; I540-I608 HydrophobicContact CG2-CG2 3.71Å; L542-I608 HydrophobicContact CD1-CD1 4.22Å; M545-I608 HydrophobicContact CB-CD1 4.05Å; M545-I608 HydrophobicContact CE-CD1 3.51Å; L556-I608 HydrophobicContact CD1-CD1 3.97Å; I604-I608 HydrophobicContact CG2-CG1 4.36Å; I604-I608 WeakPolarHBondContact O-CG1 3.31Å; I604-I608 PolarHBondContact O-N 3.42Å; I608-W610 VanDerWaalsContact C-N 3.31Å; I608-W610 PolarHBondContact O-N 3.42Å; I608-R611 PolarHBondContact O-N 2.78Å; I608-F612 HydrophobicContact CG2-CD2 4.24Å; I608-F612 PolarHBondContact O-N 2.78Å; I608-F612 VanDerWaalsContact O-N 3.16Å
609	K	95	Very high	95.2	Very high	122 Å²	122	43.3 Å²	43.3	53%	0.53	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-43.2	177.5	-176.7	177.7	179.1	179.2	0	111.5	S605 L606 V613 S614	S605-K609 VanDerWaalsContact O-CB 3.28Å; S605-K609 WeakPolarHBondContact O-CB 3.41Å; S605-K609 PolarHBondContact O-N 3.48Å; L606-K609 PolarHBondContact O-N 2.93Å; K609-V613 HydrophobicContact CG-CB 4.42Å; K609-V613 WeakPolarHBondContact O-CA 3.49Å; K609-V613 VanDerWaalsContact O-CB 3.26Å; K609-V613 WeakPolarHBondContact O-CB 3.43Å; K609-V613 PolarHBondContact O-N 2.9Å; K609-S614 PolarHBondContact O-N 2.89Å
610	W	93.9	Very high	95.3	Very high	31 Å²	31	42.7 Å²	42.7	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-54	176.1	174.6	-107.4	0	0	0	111.5	V573 R584 L586 L606 V607 I608 F612 S614 R615	V573-W610 HydrophobicContact CG2-CG 4.3Å; R584-W610 VanDerWaalsContact NE-CZ3 3.31Å; R584-W610 VanDerWaalsContact NH1-CZ3 3.34Å; L586-W610 HydrophobicContact CD2-CB 3.82Å; L586-W610 HydrophobicContact CD2-CG 4.13Å; L606-W610 VanDerWaalsContact O-CB 3.25Å; L606-W610 WeakPolarHBondContact O-CB 3.48Å; L606-W610 PolarHBondContact O-N 3.48Å; V607-W610 PolarHBondContact O-N 2.7Å; I608-W610 VanDerWaalsContact C-N 3.31Å; I608-W610 PolarHBondContact O-N 3.42Å; W610-F612 VanDerWaalsContact C-N 3.32Å; W610-F612 PolarHBondContact O-N 2.89Å; W610-S614 VanDerWaalsContact CE3-CB 3.44Å; W610-R615 HydrophobicContact CD2-CG 3.9Å; W610-R615 HydrophobicContact CE3-CG 4.14Å; W610-R615 HydrophobicContact CH2-CG 3.6Å; W610-R615 HydrophobicContact CZ2-CG 3.39Å; W610-R615 HydrophobicContact CZ3-CG 3.97Å; W610-R615 WeakPolarHBondContact O-CG 3.4Å
611	R	91.3	Very high	95.4	Very high	47 Å²	47	44.6 Å²	44.6	18%	0.177	24%	0.242	C	C	.	.	H	α-helix	trans	-55.7	-42.9	-174.1	176.4	66.6	-171.8	71	-0.4	113.2	M545 V607 I608 R615	M545-R611 HydrophobicContact CE-CB 4.25Å; M545-R611 HydrophobicContact CE-CG 3.8Å; V607-R611 WeakPolarHBondContact O-CB 3.17Å; V607-R611 PolarHBondContact O-N 3.06Å; I608-R611 PolarHBondContact O-N 2.78Å; R611-R615 VanDerWaalsContact CD-NH2 3.28Å; R611-R615 VanDerWaalsContact CZ-NH2 3.34Å; R611-R615 PolarHBondContact O-NE 2.67Å; R611-R615 PolarHBondContact O-NH2 3.4Å; R611-R615 VanDerWaalsContact O-NH2 3.09Å
612	F	91.8	Very high	95.5	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-110.5	-27	-170.2	-66.4	-61.7	0	0	0	115.4	I528 P530 M534 I540 M545 V548 I608 W610 V616	I528-F612 HydrophobicContact CD1-CD1 3.91Å; I528-F612 HydrophobicContact CD1-CE1 3.77Å; P530-F612 HydrophobicContact CB-CB 4.3Å; P530-F612 HydrophobicContact CB-CD1 3.89Å; P530-F612 HydrophobicContact CB-CD2 4.5Å; P530-F612 HydrophobicContact CB-CE1 4.32Å; P530-F612 HydrophobicContact CB-CG 3.99Å; P530-F612 HydrophobicContact CG-CD1 3.95Å; P530-F612 HydrophobicContact CG-CD2 4.27Å; P530-F612 HydrophobicContact CG-CE1 3.89Å; P530-F612 HydrophobicContact CG-CE2 4.18Å; P530-F612 HydrophobicContact CG-CG 4.15Å; P530-F612 HydrophobicContact CG-CZ 4Å; M534-F612 WeakPolarHBondContact CE-O 3.26Å; I540-F612 HydrophobicContact CD1-CB 3.5Å; I540-F612 VanDerWaalsContact CD1-CB 3.5Å; I540-F612 HydrophobicContact CD1-CG 4.36Å; I540-F612 HydrophobicContact CG2-CD2 3.88Å; I540-F612 HydrophobicContact CG2-CE2 4.48Å; I540-F612 HydrophobicContact CG2-CG 4.49Å; M545-F612 HydrophobicContact CB-CE2 4.38Å; M545-F612 HydrophobicContact CE-CD2 4.46Å; M545-F612 HydrophobicContact CE-CE2 3.57Å; M545-F612 HydrophobicContact CE-CZ 3.95Å; M545-F612 HydrophobicContact SD-CE2 3.71Å; M545-F612 HydrophobicContact SD-CZ 3.52Å; M545-F612 VanDerWaalsContact SD-CZ 3.52Å; V548-F612 HydrophobicContact CB-CE1 4.23Å; V548-F612 HydrophobicContact CB-CZ 3.99Å; V548-F612 HydrophobicContact CG1-CE1 3.93Å; V548-F612 HydrophobicContact CG1-CZ 4.06Å; V548-F612 HydrophobicContact CG2-CE1 3.99Å; V548-F612 HydrophobicContact CG2-CZ 3.93Å; I608-F612 HydrophobicContact CG2-CD2 4.24Å; I608-F612 PolarHBondContact O-N 2.78Å; I608-F612 VanDerWaalsContact O-N 3.16Å; W610-F612 VanDerWaalsContact C-N 3.32Å; W610-F612 PolarHBondContact O-N 2.89Å; F612-V616 WeakPolarHBondContact O-CG2 3.02Å
613	V	95.1	Very high	95.6	Very high	50 Å²	50	37.1 Å²	37.1	30%	0.303	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-60	-174.3	-170.7	0	0	0	0	110.9	M534 I540 K609 R615 V616 S617	M534-V613 HydrophobicContact SD-CG2 4.34Å; I540-V613 HydrophobicContact CD1-CG2 3.47Å; I540-V613 VanDerWaalsContact CD1-CG2 3.47Å; I540-V613 HydrophobicContact CG1-CG2 4.43Å; K609-V613 HydrophobicContact CG-CB 4.42Å; K609-V613 WeakPolarHBondContact O-CA 3.49Å; K609-V613 VanDerWaalsContact O-CB 3.26Å; K609-V613 WeakPolarHBondContact O-CB 3.43Å; K609-V613 PolarHBondContact O-N 2.9Å; V613-R615 VanDerWaalsContact C-N 3.33Å; V613-R615 PolarHBondContact O-N 3.34Å; V613-V616 PolarHBondContact O-N 2.89Å; V613-S617 PolarHBondContact O-N 3.49Å; V613-S617 VanDerWaalsContact O-N 3.08Å
614	S	94.1	Very high	95.7	Very high	51 Å²	51	37.3 Å²	37.3	36%	0.357	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-62.8	-38.3	-167.1	-61.5	0	0	0	0	113.4	K609 W610 V616	K609-S614 PolarHBondContact O-N 2.89Å; W610-S614 VanDerWaalsContact CE3-CB 3.44Å; S614-V616 VanDerWaalsContact C-N 3.29Å; S614-V616 PolarHBondContact O-N 2.97Å
615	R	92.7	Very high	95.7	Very high	51 Å²	51	40.1 Å²	40.1	19%	0.192	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-73.6	-17.8	-176.9	-67.3	-169	-58.1	164	14	115	P493 E575 W610 R611 V613	P493-R615 HydrophobicContact CB-CB 4.06Å; P493-R615 HydrophobicContact CG-CB 4.31Å; E575-R615 WeakPolarHBondContact OE1-CD 3.38Å; E575-R615 IonicContact OE1-CZ 2.71Å; E575-R615 IonicContact OE1-NE 2.71Å; E575-R615 IonicContact OE1-NH1 3.72Å; E575-R615 PolarHBondContact OE1-NH1 2.98Å; W610-R615 HydrophobicContact CD2-CG 3.9Å; W610-R615 HydrophobicContact CE3-CG 4.14Å; W610-R615 HydrophobicContact CH2-CG 3.6Å; W610-R615 HydrophobicContact CZ2-CG 3.39Å; W610-R615 HydrophobicContact CZ3-CG 3.97Å; W610-R615 WeakPolarHBondContact O-CG 3.4Å; R611-R615 VanDerWaalsContact CD-NH2 3.28Å; R611-R615 VanDerWaalsContact CZ-NH2 3.34Å; R611-R615 PolarHBondContact O-NE 2.67Å; R611-R615 PolarHBondContact O-NH2 3.4Å; R611-R615 VanDerWaalsContact O-NH2 3.09Å; V613-R615 VanDerWaalsContact C-N 3.33Å; V613-R615 PolarHBondContact O-N 3.34Å
616	V	95.1	Very high	95.8	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.055	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-123	15.7	-176.8	-60.1	0	0	0	0	111.7	I491 P493 M534 F612 V613 S614 D618 Q619 M620	I491-V616 HydrophobicContact CB-CB 4.11Å; I491-V616 HydrophobicContact CB-CG1 3.88Å; I491-V616 HydrophobicContact CD1-CB 4.45Å; I491-V616 HydrophobicContact CG2-CB 3.88Å; I491-V616 HydrophobicContact CG2-CG1 3.67Å; P493-V616 HydrophobicContact CB-CG1 4.28Å; P493-V616 HydrophobicContact CG-CG1 3.97Å; M534-V616 HydrophobicContact CE-CG2 4.3Å; M534-V616 HydrophobicContact SD-CG2 4.37Å; F612-V616 WeakPolarHBondContact O-CG2 3.02Å; V613-V616 PolarHBondContact O-N 2.89Å; S614-V616 VanDerWaalsContact C-N 3.29Å; S614-V616 PolarHBondContact O-N 2.97Å; V616-D618 PolarHBondContact O-N 2.98Å; V616-Q619 VanDerWaalsContact CA-OE1 3.22Å; V616-Q619 PolarHBondContact O-N 2.99Å; V616-Q619 PolarHBondContact O-OE1 3.2Å; V616-M620 VanDerWaalsContact O-CB 3.29Å; V616-M620 WeakPolarHBondContact O-CB 3.2Å; V616-M620 PolarHBondContact O-N 2.74Å
617	S	96.6	Very high	95.9	Very high	58 Å²	58	34.7 Å²	34.7	41%	0.406	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-44.5	-171	-176.9	0	0	0	0	111.8	V613 A621	V613-S617 PolarHBondContact O-N 3.49Å; V613-S617 VanDerWaalsContact O-N 3.08Å; S617-A621 VanDerWaalsContact O-CB 3.26Å; S617-A621 WeakPolarHBondContact O-CB 3.5Å; S617-A621 PolarHBondContact O-N 3.24Å
618	D	97.4	Very high	96	Very high	111 Å²	111	37.5 Å²	37.5	59%	0.594	21%	0.21	S	C	*	.	H	α-helix	trans	-71.1	-40.8	-177.2	-62.4	-25.8	0	0	0	111.3	L503 V616 A621 A622	L503-D618 HydrophobicContact CD2-CB 4.06Å; V616-D618 PolarHBondContact O-N 2.98Å; D618-A621 PolarHBondContact O-N 3.45Å; D618-A622 WeakPolarHBondContact O-CB 3.28Å; D618-A622 PolarHBondContact O-N 2.64Å
619	Q	97.6	Very high	96.1	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-47.2	175	-62.7	87.3	-20.1	0	0	111.2	I491 P493 S495 L503 F506 V616 A622 L623	I491-Q619 HydrophobicContact CD1-CB 4.14Å; I491-Q619 HydrophobicContact CG2-CB 3.72Å; I491-Q619 HydrophobicContact CG2-CG 3.88Å; P493-Q619 PolarHBondContact O-NE2 2.99Å; S495-Q619 WeakPolarHBondContact OG-CG 3.28Å; S495-Q619 PolarHBondContact OG-NE2 2.78Å; S495-Q619 VanDerWaalsContact OG-NE2 3.11Å; L503-Q619 HydrophobicContact CD2-CG 4.31Å; F506-Q619 HydrophobicContact CD1-CB 4.21Å; F506-Q619 HydrophobicContact CD2-CB 3.68Å; F506-Q619 HydrophobicContact CD2-CG 3.65Å; F506-Q619 HydrophobicContact CE1-CB 4.22Å; F506-Q619 HydrophobicContact CE2-CB 3.7Å; F506-Q619 HydrophobicContact CE2-CG 3.33Å; F506-Q619 HydrophobicContact CG-CB 3.96Å; F506-Q619 HydrophobicContact CG-CG 4.43Å; F506-Q619 HydrophobicContact CZ-CB 3.96Å; F506-Q619 HydrophobicContact CZ-CG 3.87Å; V616-Q619 VanDerWaalsContact CA-OE1 3.22Å; V616-Q619 PolarHBondContact O-N 2.99Å; V616-Q619 PolarHBondContact O-OE1 3.2Å; Q619-A622 PolarHBondContact O-N 3.21Å; Q619-L623 WeakPolarHBondContact O-CB 3.31Å; Q619-L623 PolarHBondContact O-N 2.85Å
620	M	97.9	Very high	96.2	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-40	177.5	-179.2	58.4	69.4	0	0	111.2	I491 F531 M534 V616 L623 M624	I491-M620 HydrophobicContact CD1-CB 4.4Å; I491-M620 HydrophobicContact CD1-CE 3.95Å; F531-M620 HydrophobicContact CD2-CE 3.73Å; F531-M620 HydrophobicContact CE2-CE 3.78Å; F531-M620 HydrophobicContact CG-CE 4.47Å; M534-M620 HydrophobicContact CB-CE 3.7Å; M534-M620 HydrophobicContact CB-CG 4.28Å; M534-M620 HydrophobicContact CB-SD 4.14Å; M534-M620 HydrophobicContact CE-CE 3.63Å; M534-M620 HydrophobicContact CG-CE 4.45Å; M534-M620 HydrophobicContact SD-CE 3.99Å; M534-M620 HydrophobicContact SD-CG 4.46Å; V616-M620 VanDerWaalsContact O-CB 3.29Å; V616-M620 WeakPolarHBondContact O-CB 3.2Å; V616-M620 PolarHBondContact O-N 2.74Å; M620-L623 PolarHBondContact O-N 2.84Å; M620-M624 HydrophobicContact CG-CG 4.34Å; M620-M624 WeakPolarHBondContact O-CB 3.4Å; M620-M624 VanDerWaalsContact O-CG 3.32Å; M620-M624 WeakPolarHBondContact O-CG 3.41Å; M620-M624 PolarHBondContact O-N 3.04Å; M620-M624 HydrophobicContact SD-CG 3.87Å; M620-M624 HydrophobicContact SD-SD 4.4Å
621	A	98.2	Very high	96.3	Very high	57 Å²	57	31.2 Å²	31.2	47%	0.471	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-43	175.3	0	0	0	0	0	111.8	S617 D618 S625	S617-A621 VanDerWaalsContact O-CB 3.26Å; S617-A621 WeakPolarHBondContact O-CB 3.5Å; S617-A621 PolarHBondContact O-N 3.24Å; D618-A621 PolarHBondContact O-N 3.45Å; A621-S625 VanDerWaalsContact O-CB 3.26Å; A621-S625 WeakPolarHBondContact O-CB 3.39Å; A621-S625 PolarHBondContact O-N 2.72Å
622	A	98.5	Very high	96.5	Very high	17 Å²	17	31.6 Å²	31.6	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-44.5	175.7	0	0	0	0	0	112	L503 F506 R507 D618 Q619 S625 G626	L503-A622 HydrophobicContact CB-CB 4.22Å; L503-A622 HydrophobicContact CD2-CB 4.31Å; L503-A622 WeakPolarHBondContact O-CB 3.31Å; F506-A622 HydrophobicContact CB-CB 3.93Å; R507-A622 VanDerWaalsContact CA-O 3.31Å; R507-A622 WeakPolarHBondContact CA-O 3.24Å; D618-A622 WeakPolarHBondContact O-CB 3.28Å; D618-A622 PolarHBondContact O-N 2.64Å; Q619-A622 PolarHBondContact O-N 3.21Å; A622-S625 WeakPolarHBondContact O-CB 3.1Å; A622-S625 PolarHBondContact O-N 2.86Å; A622-G626 PolarHBondContact O-N 2.99Å; A622-G626 VanDerWaalsContact O-N 3.12Å
623	L	98.4	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-51.4	175.5	-174.3	153.9	0	0	0	111.6	F506 I509 G510 M513 F531 Q619 M620 S625 G626 L627	F506-L623 HydrophobicContact CB-CB 4.34Å; F506-L623 HydrophobicContact CD1-CD1 4.43Å; F506-L623 VanDerWaalsContact O-CA 3.29Å; F506-L623 WeakPolarHBondContact O-CA 3.5Å; I509-L623 HydrophobicContact CG2-CD1 3.95Å; G510-L623 VanDerWaalsContact CA-O 3.23Å; G510-L623 WeakPolarHBondContact CA-O 3.36Å; M513-L623 HydrophobicContact CE-CD1 4.4Å; M513-L623 HydrophobicContact SD-CD1 4.3Å; M513-L623 HydrophobicContact SD-CD2 4.14Å; M513-L623 HydrophobicContact SD-CG 4.49Å; F531-L623 HydrophobicContact CE2-CD1 4.18Å; F531-L623 HydrophobicContact CZ-CD1 3.82Å; Q619-L623 WeakPolarHBondContact O-CB 3.31Å; Q619-L623 PolarHBondContact O-N 2.85Å; M620-L623 PolarHBondContact O-N 2.84Å; L623-S625 VanDerWaalsContact C-N 3.27Å; L623-S625 PolarHBondContact O-N 3.28Å; L623-G626 PolarHBondContact O-N 3.07Å; L623-G626 VanDerWaalsContact O-N 3.11Å; L623-L627 WeakPolarHBondContact O-CB 3.43Å; L623-L627 PolarHBondContact O-N 3.42Å
624	M	98.3	Very high	96.6	Very high	21 Å²	21	36.8 Å²	36.8	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-33.6	178.5	-69.4	-55.4	-61.9	0	0	112	M535 M620 G626 L627 N628 L636	M535-M624 HydrophobicContact CB-SD 4.02Å; M535-M624 HydrophobicContact CG-SD 3.97Å; M535-M624 WeakPolarHBondContact O-CE 3.42Å; M620-M624 HydrophobicContact CG-CG 4.34Å; M620-M624 WeakPolarHBondContact O-CB 3.4Å; M620-M624 VanDerWaalsContact O-CG 3.32Å; M620-M624 WeakPolarHBondContact O-CG 3.41Å; M620-M624 PolarHBondContact O-N 3.04Å; M620-M624 HydrophobicContact SD-CG 3.87Å; M620-M624 HydrophobicContact SD-SD 4.4Å; M624-G626 VanDerWaalsContact C-N 3.3Å; M624-G626 PolarHBondContact O-N 3.28Å; M624-L627 HydrophobicContact CE-CD2 3.8Å; M624-L627 PolarHBondContact O-N 2.79Å; M624-L627 HydrophobicContact SD-CD2 3.68Å; M624-N628 WeakPolarHBondContact O-CB 3.15Å; M624-N628 VanDerWaalsContact O-CG 3.25Å; M624-N628 PolarHBondContact O-N 3.46Å; M624-N628 PolarHBondContact O-ND2 2.88Å; M624-L636 HydrophobicContact CE-CD1 4.4Å
625	S	97.6	Very high	96.7	Very high	67 Å²	67	34.6 Å²	34.6	47%	0.469	20%	0.201	S	C	.	.	H	α-helix	trans	-60.8	-38.9	173.5	-177.7	0	0	0	0	111.9	A621 A622 L623 E629	A621-S625 VanDerWaalsContact O-CB 3.26Å; A621-S625 WeakPolarHBondContact O-CB 3.39Å; A621-S625 PolarHBondContact O-N 2.72Å; A622-S625 WeakPolarHBondContact O-CB 3.1Å; A622-S625 PolarHBondContact O-N 2.86Å; L623-S625 VanDerWaalsContact C-N 3.27Å; L623-S625 PolarHBondContact O-N 3.28Å; S625-E629 WeakPolarHBondContact O-CG 3.5Å
626	G	98.1	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-75.8	-40.1	176.9	0	0	0	0	0	113.3	G510 A622 L623 M624 E629	G510-G626 VanDerWaalsContact C-C 3.45Å; A622-G626 PolarHBondContact O-N 2.99Å; A622-G626 VanDerWaalsContact O-N 3.12Å; L623-G626 PolarHBondContact O-N 3.07Å; L623-G626 VanDerWaalsContact O-N 3.11Å; M624-G626 VanDerWaalsContact C-N 3.3Å; M624-G626 PolarHBondContact O-N 3.28Å; G626-E629 WeakPolarHBondContact O-CG 3.44Å; G626-E629 PolarHBondContact O-N 3.44Å
627	L	98	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-47	178.2	179.9	69.3	0	0	0	111.9	G510 M513 L517 M535 L623 M624 E629 F630 I631 L636	G510-L627 VanDerWaalsContact C-N 3.31Å; G510-L627 WeakPolarHBondContact O-CA 3.4Å; G510-L627 PolarHBondContact O-N 3.09Å; M513-L627 HydrophobicContact CB-CD1 3.73Å; L517-L627 HydrophobicContact CD1-CD1 4.04Å; M535-L627 HydrophobicContact CE-CD2 3.57Å; L623-L627 WeakPolarHBondContact O-CB 3.43Å; L623-L627 PolarHBondContact O-N 3.42Å; M624-L627 HydrophobicContact CE-CD2 3.8Å; M624-L627 PolarHBondContact O-N 2.79Å; M624-L627 HydrophobicContact SD-CD2 3.68Å; L627-E629 PolarHBondContact O-N 3.24Å; L627-F630 PolarHBondContact O-N 3.24Å; L627-F630 VanDerWaalsContact O-N 3.07Å; L627-I631 PolarHBondContact O-N 3.34Å; L627-I631 VanDerWaalsContact O-N 3.11Å; L627-L636 HydrophobicContact CD2-CD1 3.65Å; L627-L636 HydrophobicContact CG-CD1 4.23Å
628	N	97.1	Very high	96.2	Very high	60 Å²	60	34.2 Å²	34.2	32%	0.321	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-6	-175.3	-71	-23.2	0	0	0	113.5	M624 F630 I631 Q633	M624-N628 WeakPolarHBondContact O-CB 3.15Å; M624-N628 VanDerWaalsContact O-CG 3.25Å; M624-N628 PolarHBondContact O-N 3.46Å; M624-N628 PolarHBondContact O-ND2 2.88Å; N628-F630 PolarHBondContact O-N 2.9Å; N628-I631 WeakPolarHBondContact CA-O 3.33Å; N628-I631 PolarHBondContact OD1-O 2.92Å; N628-Q633 PolarHBondContact ND2-OE1 3.05Å; N628-Q633 PolarHBondContact OD1-OE1 3.16Å
629	E	96.1	Very high	95.8	Very high	18 Å²	18	29 Å²	29	8%	0.084	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.8	168.5	-49.8	-174.4	-171.6	0	0	111.7	F434 T437 R507 R511 S625 G626 L627	F434-E629 HydrophobicContact CD2-CB 4.13Å; F434-E629 HydrophobicContact CD2-CG 3.69Å; F434-E629 HydrophobicContact CE2-CB 4.1Å; F434-E629 HydrophobicContact CE2-CG 3.86Å; T437-E629 HydrophobicContact CG2-CB 4.24Å; T437-E629 VanDerWaalsContact CG2-OE2 3.27Å; T437-E629 WeakPolarHBondContact CG2-OE2 3.21Å; R507-E629 IonicContact CZ-OE1 2.8Å; R507-E629 VanDerWaalsContact CZ-OE1 3.27Å; R507-E629 IonicContact NE-OE1 2.86Å; R507-E629 PolarHBondContact NE-OE1 2.93Å; R507-E629 IonicContact NH2-OE1 2.92Å; R507-E629 PolarHBondContact NH2-OE1 3.3Å; R507-E629 IonicContact NH2-OE2 2.64Å; R511-E629 IonicContact CZ-OE2 2.7Å; R511-E629 IonicContact NE-OE1 3.62Å; R511-E629 IonicContact NE-OE2 3.27Å; R511-E629 PolarHBondContact NE-OE2 3.22Å; R511-E629 IonicContact NH2-OE1 2.73Å; R511-E629 IonicContact NH2-OE2 3.25Å; R511-E629 PolarHBondContact NH2-OE2 3.41Å; S625-E629 WeakPolarHBondContact O-CG 3.5Å; G626-E629 WeakPolarHBondContact O-CG 3.44Å; G626-E629 PolarHBondContact O-N 3.44Å; L627-E629 PolarHBondContact O-N 3.24Å
630	F	96	Very high	95.1	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-41.6	-177.4	-64.8	-84.4	0	0	0	112.7	T437 L440 K441 R511 I515 L627 N628	T437-F630 HydrophobicContact CG2-CZ 4.26Å; L440-F630 HydrophobicContact CB-CE1 3.74Å; L440-F630 HydrophobicContact CB-CZ 3.92Å; L440-F630 HydrophobicContact CD1-CE1 4.48Å; L440-F630 HydrophobicContact CD1-CZ 3.81Å; K441-F630 HydrophobicContact CG-CD1 3.95Å; K441-F630 HydrophobicContact CG-CE1 4.22Å; R511-F630 HydrophobicContact CB-CE2 3.9Å; R511-F630 HydrophobicContact CG-CE2 3.95Å; I515-F630 HydrophobicContact CD1-CE1 4.4Å; I515-F630 HydrophobicContact CD1-CE2 4.25Å; I515-F630 HydrophobicContact CD1-CZ 3.92Å; I515-F630 HydrophobicContact CG1-CD1 3.99Å; I515-F630 HydrophobicContact CG1-CD2 4.18Å; I515-F630 HydrophobicContact CG1-CE1 3.62Å; I515-F630 HydrophobicContact CG1-CE2 3.82Å; I515-F630 HydrophobicContact CG1-CG 4.26Å; I515-F630 HydrophobicContact CG1-CZ 3.53Å; L627-F630 PolarHBondContact O-N 3.24Å; L627-F630 VanDerWaalsContact O-N 3.07Å; N628-F630 PolarHBondContact O-N 2.9Å
631	I	96.6	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-119.1	110.2	-172.9	-48	-59.8	0	0	0	109.4	F398 L402 L517 L627 N628 Q633 L636	F398-I631 HydrophobicContact CE2-CG2 3.6Å; F398-I631 HydrophobicContact CZ-CD1 4.06Å; F398-I631 HydrophobicContact CZ-CG2 4.1Å; L402-I631 HydrophobicContact CD2-CD1 3.64Å; L517-I631 HydrophobicContact CB-CD1 3.94Å; L517-I631 HydrophobicContact CB-CG1 3.93Å; L517-I631 HydrophobicContact CD1-CG1 4.2Å; L627-I631 PolarHBondContact O-N 3.34Å; L627-I631 VanDerWaalsContact O-N 3.11Å; N628-I631 WeakPolarHBondContact CA-O 3.33Å; N628-I631 PolarHBondContact OD1-O 2.92Å; I631-Q633 PolarHBondContact O-N 3.29Å; I631-L636 HydrophobicContact CB-CD2 4.47Å; I631-L636 HydrophobicContact CB-CG 4.47Å; I631-L636 HydrophobicContact CG2-CD1 4.33Å; I631-L636 HydrophobicContact CG2-CD2 3.68Å; I631-L636 HydrophobicContact CG2-CG 3.7Å
632	P	95	Very high	92.9	Very high	55 Å²	55	34 Å²	34	36%	0.357	19%	0.188	S	C	.	.			trans	-55.7	135.7	174.4	-26.8	34.3	0	0	0	112.5	N634 L635 L636	P632-N634 WeakPolarHBondContact CB-OD1 3.46Å; P632-N634 PolarHBondContact O-N 2.87Å; P632-N634 VanDerWaalsContact O-N 3.12Å; P632-L635 HydrophobicContact CB-CG 4.34Å; P632-L635 HydrophobicContact CG-CD1 4.25Å; P632-L635 WeakPolarHBondContact O-CB 3.47Å; P632-L635 PolarHBondContact O-N 3.03Å; P632-L636 PolarHBondContact O-N 3.06Å
633	Q	95.1	Very high	92	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	18%	0.184	S	C	.	.	H	α-helix	trans	-53.3	-38.1	-177.5	-175.8	66.9	48.1	0	0	112.9	M535 N628 I631 L635 L636 T637	M535-Q633 PolarHBondContact O-NE2 2.76Å; N628-Q633 PolarHBondContact ND2-OE1 3.05Å; N628-Q633 PolarHBondContact OD1-OE1 3.16Å; I631-Q633 PolarHBondContact O-N 3.29Å; Q633-L635 PolarHBondContact O-N 3.26Å; Q633-L636 WeakPolarHBondContact O-CB 3.44Å; Q633-L636 PolarHBondContact O-N 3.32Å; Q633-L636 VanDerWaalsContact O-N 3.11Å; Q633-T637 HydrophobicContact CG-CG2 4.35Å; Q633-T637 WeakPolarHBondContact O-CG2 3.37Å; Q633-T637 PolarHBondContact O-N 2.86Å; Q633-T637 VanDerWaalsContact O-N 3.07Å; Q633-T637 PolarHBondContact O-OG1 3.38Å
634	N	94.7	Very high	91.4	Very high	101 Å²	101	33.8 Å²	33.8	54%	0.54	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-23.6	178.9	63.3	-63.4	0	0	0	113.7	P632 T637	P632-N634 WeakPolarHBondContact CB-OD1 3.46Å; P632-N634 PolarHBondContact O-N 2.87Å; P632-N634 VanDerWaalsContact O-N 3.12Å; N634-T637 PolarHBondContact O-OG1 2.8Å
635	L	95.1	Very high	90.7	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-83.4	-23.7	173.9	-64.3	-174.1	0	0	0	112.1	Y397 F398 H401 L402 P632 Q633 I638	Y397-L635 HydrophobicContact CD1-CD2 4.49Å; Y397-L635 HydrophobicContact CE1-CD2 3.85Å; F398-L635 HydrophobicContact CD2-CB 3.94Å; F398-L635 HydrophobicContact CE2-CB 4.26Å; H401-L635 HydrophobicContact CB-CD1 3.93Å; H401-L635 HydrophobicContact CB-CD2 3.76Å; L402-L635 HydrophobicContact CD2-CD1 4.22Å; P632-L635 HydrophobicContact CB-CG 4.34Å; P632-L635 HydrophobicContact CG-CD1 4.25Å; P632-L635 WeakPolarHBondContact O-CB 3.47Å; P632-L635 PolarHBondContact O-N 3.03Å; Q633-L635 PolarHBondContact O-N 3.26Å; L635-I638 WeakPolarHBondContact O-CG1 3.46Å
636	L	92.8	Very high	89.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-75	-41.9	172	-67.7	173.2	0	0	0	111.2	L517 L536 M624 L627 I631 P632 Q633 I638 F639 L644	L517-L636 HydrophobicContact CD1-CD2 3.95Å; L536-L636 HydrophobicContact CD2-CB 4.4Å; L536-L636 WeakPolarHBondContact CD2-O 3.39Å; M624-L636 HydrophobicContact CE-CD1 4.4Å; L627-L636 HydrophobicContact CD2-CD1 3.65Å; L627-L636 HydrophobicContact CG-CD1 4.23Å; I631-L636 HydrophobicContact CB-CD2 4.47Å; I631-L636 HydrophobicContact CB-CG 4.47Å; I631-L636 HydrophobicContact CG2-CD1 4.33Å; I631-L636 HydrophobicContact CG2-CD2 3.68Å; I631-L636 HydrophobicContact CG2-CG 3.7Å; P632-L636 PolarHBondContact O-N 3.06Å; Q633-L636 WeakPolarHBondContact O-CB 3.44Å; Q633-L636 PolarHBondContact O-N 3.32Å; Q633-L636 VanDerWaalsContact O-N 3.11Å; L636-I638 PolarHBondContact O-N 2.7Å; L636-I638 VanDerWaalsContact O-N 3.11Å; L636-F639 WeakPolarHBondContact O-CD2 3.48Å; L636-F639 PolarHBondContact O-N 3.25Å; L636-F639 VanDerWaalsContact O-N 3.09Å; L636-L644 HydrophobicContact CD2-CD1 4.13Å
637	T	92.4	Very high	88.9	Confident	62 Å²	62	33.8 Å²	33.8	38%	0.38	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.4	-172.9	54.6	0	0	0	0	115.2	Q633 N634 F639	Q633-T637 HydrophobicContact CG-CG2 4.35Å; Q633-T637 WeakPolarHBondContact O-CG2 3.37Å; Q633-T637 PolarHBondContact O-N 2.86Å; Q633-T637 VanDerWaalsContact O-N 3.07Å; Q633-T637 PolarHBondContact O-OG1 3.38Å; N634-T637 PolarHBondContact O-OG1 2.8Å; T637-F639 PolarHBondContact O-N 2.94Å
638	I	90.4	Very high	88.4	Confident	48 Å²	48	33.9 Å²	33.9	25%	0.246	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.2	171.4	74.5	-175.1	0	0	0	111.9	K394 Y397 F398 L635 L636	K394-I638 HydrophobicContact CB-CD1 4.09Å; K394-I638 HydrophobicContact CB-CG1 4.29Å; K394-I638 WeakPolarHBondContact CD-O 3.3Å; K394-I638 VanDerWaalsContact CE-O 3.25Å; K394-I638 WeakPolarHBondContact CE-O 3.33Å; K394-I638 WeakPolarHBondContact O-CD1 3.44Å; Y397-I638 HydrophobicContact CD1-CD1 3.88Å; F398-I638 HydrophobicContact CB-CD1 4.09Å; L635-I638 WeakPolarHBondContact O-CG1 3.46Å; L636-I638 PolarHBondContact O-N 2.7Å; L636-I638 VanDerWaalsContact O-N 3.11Å
639	F	87.1	Confident	87.6	Confident	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.162	C	C	.	.	S	Bend	trans	-88.9	147.2	179.1	-58.9	-74	0	0	0	111.1	Y391 K394 F398 L536 K538 L636 T637 E643 L644 L647	Y391-F639 AromaticContact CD2-CD1 3.91Å; Y391-F639 HydrophobicContact CD2-CD1 3.91Å; Y391-F639 AromaticContact CD2-CE1 3.85Å; Y391-F639 HydrophobicContact CD2-CE1 3.85Å; Y391-F639 AromaticContact CE2-CD1 3.72Å; Y391-F639 HydrophobicContact CE2-CD1 3.72Å; Y391-F639 AromaticContact CE2-CE1 3.51Å; Y391-F639 HydrophobicContact CE2-CE1 3.51Å; K394-F639 HydrophobicContact CB-CD1 4.1Å; K394-F639 HydrophobicContact CB-CE1 3.63Å; K394-F639 HydrophobicContact CB-CZ 4.26Å; K394-F639 HydrophobicContact CD-CD1 4.26Å; F398-F639 HydrophobicContact CB-CE2 4.03Å; F398-F639 HydrophobicContact CB-CZ 3.8Å; F398-F639 AromaticContact CD2-CE2 3.81Å; F398-F639 HydrophobicContact CD2-CE2 3.81Å; F398-F639 HydrophobicContact CD2-CZ 4.37Å; F398-F639 HydrophobicContact CE2-CE2 4.48Å; F398-F639 AromaticContact CG-CE2 3.97Å; F398-F639 HydrophobicContact CG-CE2 3.97Å; F398-F639 HydrophobicContact CG-CZ 4.07Å; L536-F639 WeakPolarHBondContact CD1-O 3.38Å; K538-F639 PolarHBondContact NZ-O 3.39Å; L636-F639 WeakPolarHBondContact O-CD2 3.48Å; L636-F639 PolarHBondContact O-N 3.25Å; L636-F639 VanDerWaalsContact O-N 3.09Å; T637-F639 PolarHBondContact O-N 2.94Å; F639-E643 WeakPolarHBondContact CA-OE2 3.42Å; F639-E643 HydrophobicContact CB-CB 3.97Å; F639-E643 HydrophobicContact CD1-CB 3.97Å; F639-E643 HydrophobicContact CG-CB 4.43Å; F639-L644 HydrophobicContact CB-CB 4.37Å; F639-L647 HydrophobicContact CD2-CD2 3.92Å; F639-L647 HydrophobicContact CE1-CD2 4.49Å; F639-L647 HydrophobicContact CE2-CD2 3.56Å; F639-L647 HydrophobicContact CZ-CD1 4.45Å; F639-L647 HydrophobicContact CZ-CD2 3.87Å
640	D	83	Confident	86.6	Confident	62 Å²	62	30.7 Å²	30.7	33%	0.332	16%	0.163	S	C	.	.			trans	-80.5	169.1	162.1	79.1	42.8	0	0	0	111.7	H642 E643 L644	D640-H642 VanDerWaalsContact C-N 3.26Å; D640-H642 PolarHBondContact O-N 3.11Å; D640-H642 WeakPolarHBondContact OD1-CA 3.49Å; D640-H642 WeakPolarHBondContact OD1-CB 3.44Å; D640-H642 PolarHBondContact OD1-N 2.95Å; D640-E643 PolarHBondContact N-OE2 3Å; D640-E643 PolarHBondContact O-N 3.15Å; D640-E643 PolarHBondContact OD1-N 3.18Å; D640-L644 WeakPolarHBondContact O-CB 3.5Å; D640-L644 PolarHBondContact O-N 3.37Å
641	P	77.5	Confident	85	Confident	10 Å²	10	32 Å²	32	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-35.3	-177.9	-26.1	35.3	0	0	0	114.5	K533 L536 K538 E645	K533-P641 HydrophobicContact CG-CB 4.25Å; K533-P641 HydrophobicContact CG-CG 3.63Å; L536-P641 HydrophobicContact CD1-CB 4.32Å; L536-P641 HydrophobicContact CD1-CG 3.92Å; K538-P641 HydrophobicContact CD-CG 4.49Å; P641-E645 PolarHBondContact O-N 2.81Å; P641-E645 VanDerWaalsContact O-N 3.07Å
642	H	72.1	Confident	83.4	Confident	117 Å²	117	37.1 Å²	37.1	54%	0.542	19%	0.194	S	C	.	.	H	α-helix	trans	-75.7	-41.2	179.4	178.6	59.4	0	0	0	110.8	D640 L644 E645 L646	D640-H642 VanDerWaalsContact C-N 3.26Å; D640-H642 PolarHBondContact O-N 3.11Å; D640-H642 WeakPolarHBondContact OD1-CA 3.49Å; D640-H642 WeakPolarHBondContact OD1-CB 3.44Å; D640-H642 PolarHBondContact OD1-N 2.95Å; H642-L644 VanDerWaalsContact C-N 3.3Å; H642-L644 PolarHBondContact O-N 3.45Å; H642-E645 IonicContact ND1-OE2 3.94Å; H642-E645 PolarHBondContact O-N 3.11Å; H642-L646 VanDerWaalsContact O-CB 3.3Å; H642-L646 WeakPolarHBondContact O-CB 3.11Å; H642-L646 PolarHBondContact O-N 3.38Å
643	E	81.1	Confident	82.2	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-37.9	172.7	-69	177.5	140	0	0	112	Y391 K394 F639 D640 L646 L647 M706	Y391-E643 HydrophobicContact CD2-CB 3.82Å; Y391-E643 HydrophobicContact CD2-CG 3.8Å; Y391-E643 HydrophobicContact CE2-CB 4.04Å; K394-E643 IonicContact NZ-OE1 2.62Å; K394-E643 PolarHBondContact NZ-OE1 3.09Å; K394-E643 IonicContact NZ-OE2 2.67Å; K394-E643 PolarHBondContact NZ-OE2 3.11Å; F639-E643 WeakPolarHBondContact CA-OE2 3.42Å; F639-E643 HydrophobicContact CB-CB 3.97Å; F639-E643 HydrophobicContact CD1-CB 3.97Å; F639-E643 HydrophobicContact CG-CB 4.43Å; D640-E643 PolarHBondContact N-OE2 3Å; D640-E643 PolarHBondContact O-N 3.15Å; D640-E643 PolarHBondContact OD1-N 3.18Å; E643-L646 PolarHBondContact O-N 2.88Å; E643-L647 WeakPolarHBondContact O-CB 3.34Å; E643-L647 PolarHBondContact O-N 3.33Å; E643-M706 HydrophobicContact CG-CE 4.5Å
644	L	86.3	Confident	81.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-44.8	177.1	179.5	62.7	0	0	0	112.1	Y532 M535 L536 L636 F639 D640 H642 L646 L647 M648	Y532-L644 HydrophobicContact CD1-CD2 4.27Å; Y532-L644 HydrophobicContact CD1-CG 4.29Å; M535-L644 HydrophobicContact CB-CD2 3.95Å; M535-L644 HydrophobicContact CE-CD2 4.34Å; M535-L644 HydrophobicContact SD-CD2 4.15Å; L536-L644 HydrophobicContact CD1-CB 4.45Å; L536-L644 HydrophobicContact CD1-CD2 4.25Å; L536-L644 HydrophobicContact CD2-CD2 3.85Å; L536-L644 HydrophobicContact CG-CD2 3.76Å; L636-L644 HydrophobicContact CD2-CD1 4.13Å; F639-L644 HydrophobicContact CB-CB 4.37Å; D640-L644 WeakPolarHBondContact O-CB 3.5Å; D640-L644 PolarHBondContact O-N 3.37Å; H642-L644 VanDerWaalsContact C-N 3.3Å; H642-L644 PolarHBondContact O-N 3.45Å; L644-L646 PolarHBondContact O-N 2.86Å; L644-L647 HydrophobicContact CD1-CD2 4.3Å; L644-L647 WeakPolarHBondContact O-CB 3.47Å; L644-L647 PolarHBondContact O-N 3.39Å; L644-M648 HydrophobicContact CD1-CG 4.25Å; L644-M648 HydrophobicContact CD1-SD 4.1Å; L644-M648 HydrophobicContact CG-SD 4.14Å; L644-M648 WeakPolarHBondContact O-CG 3.29Å; L644-M648 PolarHBondContact O-N 3.5Å
645	E	82.4	Confident	80.9	Confident	59 Å²	59	34 Å²	34	28%	0.276	17%	0.17	S	C	.	.	H	α-helix	trans	-52.4	-46.8	172.4	172.4	178.9	-162	0	0	110.4	Y532 P641 H642 M648 C649	Y532-E645 HydrophobicContact CD1-CB 4.32Å; Y532-E645 HydrophobicContact CD2-CB 4.18Å; Y532-E645 HydrophobicContact CE1-CB 3.93Å; Y532-E645 HydrophobicContact CE1-CG 4.43Å; Y532-E645 HydrophobicContact CE2-CB 3.78Å; Y532-E645 HydrophobicContact CE2-CG 3.94Å; Y532-E645 HydrophobicContact CG-CB 4.44Å; P641-E645 PolarHBondContact O-N 2.81Å; P641-E645 VanDerWaalsContact O-N 3.07Å; H642-E645 IonicContact ND1-OE2 3.94Å; H642-E645 PolarHBondContact O-N 3.11Å; E645-M648 PolarHBondContact O-N 2.94Å; E645-C649 WeakPolarHBondContact O-CB 3.46Å; E645-C649 PolarHBondContact O-N 3.11Å; E645-C649 PolarHBondContact O-SG 3.31Å
646	L	74.3	Confident	80.5	Confident	14 Å²	14	33.8 Å²	33.8	7%	0.073	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-36.8	-177.6	-163.3	19.3	0	0	0	112.5	H642 E643 L644 M648 G650 L651 M706	H642-L646 VanDerWaalsContact O-CB 3.3Å; H642-L646 WeakPolarHBondContact O-CB 3.11Å; H642-L646 PolarHBondContact O-N 3.38Å; E643-L646 PolarHBondContact O-N 2.88Å; L644-L646 PolarHBondContact O-N 2.86Å; L646-M648 VanDerWaalsContact C-N 3.29Å; L646-M648 PolarHBondContact O-N 2.86Å; L646-G650 WeakPolarHBondContact O-CA 3.32Å; L646-G650 PolarHBondContact O-N 2.9Å; L646-L651 HydrophobicContact CD1-CD2 3.65Å; L646-L651 HydrophobicContact CD1-CG 3.84Å; L646-L651 HydrophobicContact CD2-CD2 3.83Å; L646-L651 HydrophobicContact CG-CD2 4.44Å; L646-M706 HydrophobicContact CB-CE 3.62Å; L646-M706 HydrophobicContact CD1-CB 3.77Å; L646-M706 HydrophobicContact CD1-CG 3.99Å; L646-M706 HydrophobicContact CD2-CB 4.17Å; L646-M706 HydrophobicContact CD2-CE 3.49Å; L646-M706 VanDerWaalsContact CD2-CE 3.49Å; L646-M706 HydrophobicContact CD2-CG 3.46Å; L646-M706 VanDerWaalsContact CD2-CG 3.46Å; L646-M706 HydrophobicContact CD2-SD 3.99Å; L646-M706 HydrophobicContact CG-CB 3.63Å; L646-M706 HydrophobicContact CG-CE 3.3Å; L646-M706 HydrophobicContact CG-CG 3.47Å; L646-M706 VanDerWaalsContact CG-CG 3.47Å; L646-M706 HydrophobicContact CG-SD 4.11Å
647	L	84.3	Confident	80.2	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-38.7	172.3	-177.9	68.4	0	0	0	112	Y391 Y395 F398 L517 F639 E643 L644	Y391-L647 WeakPolarHBondContact OH-CA 3.5Å; Y391-L647 WeakPolarHBondContact OH-CD1 3.42Å; Y395-L647 HydrophobicContact CD2-CD1 3.56Å; Y395-L647 HydrophobicContact CE2-CD1 3.73Å; F398-L647 HydrophobicContact CZ-CD2 4.45Å; L517-L647 HydrophobicContact CD2-CD2 3.7Å; L517-L647 HydrophobicContact CD2-CG 3.58Å; F639-L647 HydrophobicContact CD2-CD2 3.92Å; F639-L647 HydrophobicContact CE1-CD2 4.49Å; F639-L647 HydrophobicContact CE2-CD2 3.56Å; F639-L647 HydrophobicContact CZ-CD1 4.45Å; F639-L647 HydrophobicContact CZ-CD2 3.87Å; E643-L647 WeakPolarHBondContact O-CB 3.34Å; E643-L647 PolarHBondContact O-N 3.33Å; L644-L647 HydrophobicContact CD1-CD2 4.3Å; L644-L647 WeakPolarHBondContact O-CB 3.47Å; L644-L647 PolarHBondContact O-N 3.39Å
648	M	86.5	Confident	80	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-86.3	-41.3	-176.8	-71.7	177.8	61.4	0	0	113.8	M513 L517 L522 L523 Y532 M535 L644 E645 L646	M513-M648 HydrophobicContact CB-CE 4.41Å; M513-M648 HydrophobicContact CE-CE 3.95Å; M513-M648 HydrophobicContact CG-CE 3.92Å; M513-M648 HydrophobicContact SD-CE 3.63Å; L517-M648 HydrophobicContact CD1-CG 4.33Å; L517-M648 HydrophobicContact CD2-CG 3.73Å; L517-M648 HydrophobicContact CG-CG 4.23Å; L522-M648 WeakPolarHBondContact CA-O 3.16Å; L523-M648 PolarHBondContact N-O 3.23Å; Y532-M648 HydrophobicContact CE1-SD 4.35Å; M535-M648 HydrophobicContact CE-CE 4.07Å; M535-M648 HydrophobicContact CE-SD 3.65Å; M535-M648 HydrophobicContact SD-SD 4.13Å; L644-M648 HydrophobicContact CD1-CG 4.25Å; L644-M648 HydrophobicContact CD1-SD 4.1Å; L644-M648 HydrophobicContact CG-SD 4.14Å; L644-M648 WeakPolarHBondContact O-CG 3.29Å; L644-M648 PolarHBondContact O-N 3.5Å; E645-M648 PolarHBondContact O-N 2.94Å; L646-M648 VanDerWaalsContact C-N 3.29Å; L646-M648 PolarHBondContact O-N 2.86Å
649	C	81.6	Confident	80	Confident	1 Å²	1	33 Å²	33	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-115.9	-12.7	-164.4	-43.3	0	0	0	0	112.8	A525 E645 R703	A525-C649 PolarHBondContact O-SG 3.41Å; A525-C649 VanDerWaalsContact O-SG 3.36Å; E645-C649 WeakPolarHBondContact O-CB 3.46Å; E645-C649 PolarHBondContact O-N 3.11Å; E645-C649 PolarHBondContact O-SG 3.31Å; C649-R703 VanDerWaalsContact O-CD 3.27Å; C649-R703 WeakPolarHBondContact O-CD 3.32Å; C649-R703 WeakPolarHBondContact O-CG 3.42Å; C649-R703 PolarHBondContact O-NH1 3.34Å
650	G	73.7	Confident	80.3	Confident	10 Å²	10	35.3 Å²	35.3	10%	0.103	17%	0.169	C	C	.	.			trans	68.3	-173.5	-179.4	0	0	0	0	0	113.9	L646	L646-G650 WeakPolarHBondContact O-CA 3.32Å; L646-G650 PolarHBondContact O-N 2.9Å
651	L	63.1	Low	80.6	Confident	33 Å²	33	36.8 Å²	36.8	17%	0.173	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-83.3	135.7	176.2	-62.4	172.1	0	0	0	110.8	V385 L646 V704 P705	V385-L651 HydrophobicContact CB-CD1 4.43Å; V385-L651 HydrophobicContact CG1-CD1 3.7Å; V385-L651 HydrophobicContact CG2-CD1 3.78Å; L646-L651 HydrophobicContact CD1-CD2 3.65Å; L646-L651 HydrophobicContact CD1-CG 3.84Å; L646-L651 HydrophobicContact CD2-CD2 3.83Å; L646-L651 HydrophobicContact CG-CD2 4.44Å; L651-V704 HydrophobicContact CB-CB 4.27Å; L651-V704 PolarHBondContact N-O 2.77Å; L651-V704 PolarHBondContact O-N 2.81Å; L651-P705 WeakPolarHBondContact CD1-O 3.4Å
652	Q	62.4	Low	81.2	Confident	108 Å²	108	37.8 Å²	37.8	51%	0.505	18%	0.182	S	C	.	.	S	Bend	trans	-85.6	-37.4	174.3	-168.5	173.7	20.1	0	0	112.4	F526 N688	F526-Q652 HydrophobicContact CE1-CB 4.35Å; F526-Q652 HydrophobicContact CE1-CG 4.37Å; F526-Q652 HydrophobicContact CZ-CB 4.43Å; F526-Q652 HydrophobicContact CZ-CG 4.03Å; Q652-N688 PolarHBondContact O-ND2 2.93Å
653	K	70.7	Confident	82.3	Confident	141 Å²	141	32.9 Å²	32.9	61%	0.613	16%	0.161	S	C	*	.	S	Bend	trans	-85.6	123.4	178.3	-72.6	-171.3	179	-177.7	0	110.6	P383 N688	P383-K653 HydrophobicContact CG-CB 4.44Å; P383-K653 HydrophobicContact CG-CD 4.11Å; K653-N688 WeakPolarHBondContact CA-OD1 3.44Å
654	I	78.3	Confident	82.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.			trans	-88.5	117.3	179.5	-67.7	168.1	0	0	0	109.2	V656 W659 N688 R691 S692 L695 V704 F709	I654-V656 PolarHBondContact O-N 3.42Å; I654-W659 HydrophobicContact CG2-CE3 3.65Å; I654-W659 HydrophobicContact CG2-CZ3 3.99Å; I654-N688 PolarHBondContact N-OD1 3.06Å; I654-R691 HydrophobicContact CB-CB 4.34Å; I654-R691 VanDerWaalsContact CD1-C 3.44Å; I654-R691 HydrophobicContact CD1-CB 3.7Å; I654-R691 HydrophobicContact CG2-CB 4.43Å; I654-S692 WeakPolarHBondContact CD1-OG 3.49Å; I654-L695 HydrophobicContact CD1-CB 4.22Å; I654-L695 HydrophobicContact CD1-CD2 3.9Å; I654-L695 HydrophobicContact CG1-CD2 4.31Å; I654-V704 HydrophobicContact CB-CG2 4.49Å; I654-V704 HydrophobicContact CG1-CG2 3.77Å; I654-F709 HydrophobicContact CG2-CE2 3.99Å; I654-F709 HydrophobicContact CG2-CZ 3.92Å
655	D	83.2	Confident	83.4	Confident	14 Å²	14	37.9 Å²	37.9	8%	0.075	18%	0.183	C	C	.	.			trans	-80.5	105.3	167.1	-177.6	-13.4	0	0	0	109.3	A381 A384 V385 K657 D658 W659	A381-D655 CarbonylContact O-C 3.51Å; A381-D655 WeakPolarHBondContact O-CA 3.35Å; A384-D655 WeakPolarHBondContact CA-OD2 3.29Å; V385-D655 HydrophobicContact CG2-CB 4.25Å; D655-K657 VanDerWaalsContact C-N 3.27Å; D655-K657 PolarHBondContact O-N 3.31Å; D655-K657 WeakPolarHBondContact OD1-CA 3.42Å; D655-K657 VanDerWaalsContact OD1-CB 3.28Å; D655-K657 WeakPolarHBondContact OD1-CB 3.46Å; D655-K657 PolarHBondContact OD1-N 2.98Å; D655-D658 HydrophobicContact CB-CB 3.92Å; D655-D658 PolarHBondContact O-N 2.82Å; D655-D658 PolarHBondContact OD1-N 2.82Å; D655-W659 WeakPolarHBondContact O-CB 3.1Å; D655-W659 PolarHBondContact O-N 2.87Å
656	V	87.7	Confident	83.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-29.5	-179.6	-175.1	0	0	0	0	111.3	F375 A381 I654 K660 W680 V683 L684	F375-V656 HydrophobicContact CE1-CG1 4.13Å; A381-V656 PolarHBondContact O-N 3.12Å; I654-V656 PolarHBondContact O-N 3.42Å; V656-K660 WeakPolarHBondContact O-CB 2.93Å; V656-K660 PolarHBondContact O-N 2.84Å; V656-W680 HydrophobicContact CG1-CE3 4.01Å; V656-W680 HydrophobicContact CG1-CZ3 4.22Å; V656-V683 HydrophobicContact CG1-CB 4.31Å; V656-V683 HydrophobicContact CG1-CG1 3.72Å; V656-V683 HydrophobicContact CG2-CG1 4.07Å; V656-L684 HydrophobicContact CB-CD2 4.03Å; V656-L684 HydrophobicContact CG1-CD2 3.84Å; V656-L684 HydrophobicContact CG1-CG 4.1Å; V656-L684 HydrophobicContact CG2-CD2 4.45Å
657	K	86.7	Confident	84.6	Confident	63 Å²	63	41.3 Å²	41.3	27%	0.274	21%	0.209	S	C	.	.	H	α-helix	trans	-68.4	-49.6	176.5	-175.4	-176.1	-179.2	-60.8	0	109.7	F375 D655 W659 K660 D661	F375-K657 HydrophobicContact CB-CG 4.41Å; F375-K657 HydrophobicContact CD1-CB 4.22Å; D655-K657 VanDerWaalsContact C-N 3.27Å; D655-K657 PolarHBondContact O-N 3.31Å; D655-K657 WeakPolarHBondContact OD1-CA 3.42Å; D655-K657 VanDerWaalsContact OD1-CB 3.28Å; D655-K657 WeakPolarHBondContact OD1-CB 3.46Å; D655-K657 PolarHBondContact OD1-N 2.98Å; K657-W659 VanDerWaalsContact C-N 3.29Å; K657-W659 PolarHBondContact O-N 3.5Å; K657-K660 PolarHBondContact O-N 3.3Å; K657-D661 IonicContact NZ-OD2 3.69Å; K657-D661 PolarHBondContact NZ-OD2 3.27Å; K657-D661 WeakPolarHBondContact O-CB 3.08Å; K657-D661 VanDerWaalsContact O-CG 3.24Å; K657-D661 PolarHBondContact O-N 3.44Å
658	D	87.3	Confident	84.8	Confident	31 Å²	31	44 Å²	44	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-39.3	176.1	-178.3	54.8	0	0	0	112.1	D655 K660 D661 N662 G708 F709	D655-D658 HydrophobicContact CB-CB 3.92Å; D655-D658 PolarHBondContact O-N 2.82Å; D655-D658 PolarHBondContact OD1-N 2.82Å; D658-K660 PolarHBondContact O-N 3.02Å; D658-D661 PolarHBondContact O-N 3.5Å; D658-N662 WeakPolarHBondContact O-CB 3.34Å; D658-N662 PolarHBondContact O-N 3.32Å; D658-N662 PolarHBondContact O-ND2 3.09Å; D658-N662 PolarHBondContact OD1-ND2 2.77Å; D658-G708 WeakPolarHBondContact OD2-CA 3.2Å; D658-F709 PolarHBondContact OD2-N 3.38Å
659	W	91.4	Very high	85.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-49.6	173.5	-166.8	-3.3	0	0	0	111.8	I654 D655 K657 N662 T663 W680 V683 L694 L695 F709 F721	I654-W659 HydrophobicContact CG2-CE3 3.65Å; I654-W659 HydrophobicContact CG2-CZ3 3.99Å; D655-W659 WeakPolarHBondContact O-CB 3.1Å; D655-W659 PolarHBondContact O-N 2.87Å; K657-W659 VanDerWaalsContact C-N 3.29Å; K657-W659 PolarHBondContact O-N 3.5Å; W659-N662 CarbonylContact O-C 3.56Å; W659-N662 PolarHBondContact O-N 3.08Å; W659-T663 PolarHBondContact O-N 3.15Å; W659-T663 PolarHBondContact O-OG1 3.32Å; W659-W680 HydrophobicContact CB-CH2 4.08Å; W659-W680 HydrophobicContact CB-CZ3 4.04Å; W659-W680 AromaticContact CD1-CH2 3.62Å; W659-W680 HydrophobicContact CD2-CH2 4.06Å; W659-W680 AromaticContact CD2-CZ3 3.96Å; W659-W680 HydrophobicContact CD2-CZ3 3.96Å; W659-W680 HydrophobicContact CE3-CZ3 4.36Å; W659-W680 AromaticContact CG-CH2 3.63Å; W659-W680 HydrophobicContact CG-CH2 3.63Å; W659-W680 AromaticContact CG-CZ3 3.8Å; W659-W680 HydrophobicContact CG-CZ3 3.8Å; W659-W680 AromaticContact NE1-CH2 3.98Å; W659-V683 HydrophobicContact CE3-CG1 4.03Å; W659-V683 HydrophobicContact CZ3-CG1 3.86Å; W659-L694 HydrophobicContact CH2-CB 4.35Å; W659-L694 HydrophobicContact CH2-CD2 3.82Å; W659-L694 HydrophobicContact CH2-CG 3.86Å; W659-L694 HydrophobicContact CZ2-CD2 4.49Å; W659-L694 HydrophobicContact CZ2-CG 4.45Å; W659-L694 HydrophobicContact CZ3-CD2 4.46Å; W659-L695 HydrophobicContact CH2-CB 4.04Å; W659-L695 HydrophobicContact CH2-CD1 4.23Å; W659-L695 HydrophobicContact CZ2-CB 4.47Å; W659-L695 HydrophobicContact CZ2-CD1 3.88Å; W659-F709 VanDerWaalsContact CA-CD2 3.43Å; W659-F709 VanDerWaalsContact CA-CG 3.45Å; W659-F709 HydrophobicContact CB-CD1 3.96Å; W659-F709 HydrophobicContact CB-CD2 3.62Å; W659-F709 HydrophobicContact CB-CE1 3.87Å; W659-F709 HydrophobicContact CB-CE2 3.49Å; W659-F709 VanDerWaalsContact CB-CE2 3.49Å; W659-F709 HydrophobicContact CB-CG 3.86Å; W659-F709 HydrophobicContact CB-CZ 3.64Å; W659-F709 AromaticContact CD1-CD1 3.23Å; W659-F709 AromaticContact CD1-CE1 3.21Å; W659-F709 AromaticContact CD1-CG 3.93Å; W659-F709 AromaticContact CD1-CZ 3.86Å; W659-F709 HydrophobicContact CD2-CD1 4.24Å; W659-F709 AromaticContact CD2-CE1 3.45Å; W659-F709 HydrophobicContact CD2-CE1 3.45Å; W659-F709 VanDerWaalsContact CD2-CE1 3.45Å; W659-F709 HydrophobicContact CD2-CE2 4.23Å; W659-F709 AromaticContact CD2-CZ 3.44Å; W659-F709 HydrophobicContact CD2-CZ 3.44Å; W659-F709 VanDerWaalsContact CD2-CZ 3.44Å; W659-F709 AromaticContact CE2-CE1 3.56Å; W659-F709 AromaticContact CE2-CZ 3.99Å; W659-F709 HydrophobicContact CE3-CE1 4.23Å; W659-F709 AromaticContact CE3-CZ 3.79Å; W659-F709 HydrophobicContact CE3-CZ 3.79Å; W659-F709 AromaticContact CG-CD1 3.56Å; W659-F709 HydrophobicContact CG-CD1 3.56Å; W659-F709 HydrophobicContact CG-CD2 4.1Å; W659-F709 AromaticContact CG-CE1 3.25Å; W659-F709 HydrophobicContact CG-CE1 3.25Å; W659-F709 AromaticContact CG-CE2 3.81Å; W659-F709 HydrophobicContact CG-CE2 3.81Å; W659-F709 HydrophobicContact CG-CG 4Å; W659-F709 AromaticContact CG-CZ 3.38Å; W659-F709 HydrophobicContact CG-CZ 3.38Å; W659-F709 HydrophobicContact CZ2-CE1 4.38Å; W659-F709 AromaticContact NE1-CD1 3.79Å; W659-F709 AromaticContact NE1-CE1 3.43Å; W659-F721 AromaticContact CE2-CE2 3.83Å; W659-F721 AromaticContact CE2-CZ 3.99Å; W659-F721 HydrophobicContact CZ2-CD2 4.15Å; W659-F721 HydrophobicContact CZ2-CE1 4.44Å; W659-F721 AromaticContact CZ2-CE2 3.52Å; W659-F721 HydrophobicContact CZ2-CE2 3.52Å; W659-F721 AromaticContact CZ2-CZ 3.71Å; W659-F721 HydrophobicContact CZ2-CZ 3.71Å; W659-F721 AromaticContact NE1-CD1 3.45Å; W659-F721 AromaticContact NE1-CD2 3.3Å; W659-F721 VanDerWaalsContact NE1-CD2 3.3Å; W659-F721 AromaticContact NE1-CE1 3.67Å; W659-F721 AromaticContact NE1-CE2 3.5Å; W659-F721 AromaticContact NE1-CG 3.26Å; W659-F721 VanDerWaalsContact NE1-CG 3.26Å; W659-F721 AromaticContact NE1-CZ 3.7Å
660	K	92.1	Very high	85.7	Confident	49 Å²	49	47.4 Å²	47.4	21%	0.213	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-45.1	179.4	179.9	-179.9	173.9	-156.8	0	112.4	F375 V656 K657 D658 N662 T663 W680	F375-K660 HydrophobicContact CD1-CD 4.29Å; F375-K660 HydrophobicContact CE1-CB 4.41Å; F375-K660 HydrophobicContact CE1-CD 3.52Å; F375-K660 HydrophobicContact CE2-CD 4.18Å; F375-K660 HydrophobicContact CZ-CD 3.47Å; F375-K660 VanDerWaalsContact CZ-CD 3.47Å; V656-K660 WeakPolarHBondContact O-CB 2.93Å; V656-K660 PolarHBondContact O-N 2.84Å; K657-K660 PolarHBondContact O-N 3.3Å; D658-K660 PolarHBondContact O-N 3.02Å; K660-N662 PolarHBondContact O-N 2.89Å; K660-T663 PolarHBondContact O-N 3.21Å; K660-W680 VanDerWaalsContact CA-CH2 3.49Å; K660-W680 VanDerWaalsContact CA-CZ2 3.48Å; K660-W680 HydrophobicContact CB-CD2 3.88Å; K660-W680 HydrophobicContact CB-CE3 3.94Å; K660-W680 HydrophobicContact CB-CH2 3.99Å; K660-W680 HydrophobicContact CB-CZ2 3.92Å; K660-W680 HydrophobicContact CB-CZ3 3.98Å; K660-W680 HydrophobicContact CD-CB 4.47Å; K660-W680 HydrophobicContact CD-CD2 4.14Å; K660-W680 HydrophobicContact CD-CG 3.99Å; K660-W680 HydrophobicContact CG-CD2 3.88Å; K660-W680 HydrophobicContact CG-CE3 4.44Å; K660-W680 HydrophobicContact CG-CG 4.14Å; K660-W680 HydrophobicContact CG-CZ2 4.17Å
661	D	90.1	Very high	86.5	Confident	94 Å²	94	49.2 Å²	49.2	50%	0.503	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-26.7	-177.9	-69.7	-13.4	0	0	0	112	K657 D658	K657-D661 IonicContact NZ-OD2 3.69Å; K657-D661 PolarHBondContact NZ-OD2 3.27Å; K657-D661 WeakPolarHBondContact O-CB 3.08Å; K657-D661 VanDerWaalsContact O-CG 3.24Å; K657-D661 PolarHBondContact O-N 3.44Å; D658-D661 PolarHBondContact O-N 3.5Å
662	N	90.5	Very high	87.7	Confident	31 Å²	31	53.2 Å²	53.2	17%	0.166	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	18.1	177.5	-73	-70.9	0	0	0	114.6	D658 W659 K660 F709 G710 K720	D658-N662 WeakPolarHBondContact O-CB 3.34Å; D658-N662 PolarHBondContact O-N 3.32Å; D658-N662 PolarHBondContact O-ND2 3.09Å; D658-N662 PolarHBondContact OD1-ND2 2.77Å; W659-N662 CarbonylContact O-C 3.56Å; W659-N662 PolarHBondContact O-N 3.08Å; K660-N662 PolarHBondContact O-N 2.89Å; N662-F709 HydrophobicContact CB-CB 3.73Å; N662-G710 VanDerWaalsContact CG-CA 3.45Å; N662-G710 VanDerWaalsContact OD1-CA 3.3Å; N662-G710 WeakPolarHBondContact OD1-CA 3.25Å; N662-K720 PolarHBondContact OD1-NZ 3.39Å
663	T	94.4	Very high	89.1	Confident	14 Å²	14	50.5 Å²	50.5	9%	0.086	29%	0.285	C	S	.	.			trans	-96.3	137	176.7	-69	0	0	0	0	112.7	W659 K660 Y665 W680 F721 I723	W659-T663 PolarHBondContact O-N 3.15Å; W659-T663 PolarHBondContact O-OG1 3.32Å; K660-T663 PolarHBondContact O-N 3.21Å; T663-Y665 HydrophobicContact CG2-CD1 4.27Å; T663-Y665 HydrophobicContact CG2-CE1 3.71Å; T663-Y665 HydrophobicContact CG2-CE2 4.46Å; T663-W680 HydrophobicContact CG2-CZ2 4.01Å; T663-W680 WeakPolarHBondContact OG1-CZ2 3.44Å; T663-F721 CarbonylContact C-O 3.57Å; T663-F721 WeakPolarHBondContact CA-O 3.34Å; T663-F721 HydrophobicContact CG2-CD1 3.77Å; T663-F721 HydrophobicContact CG2-CE1 4.46Å; T663-F721 WeakPolarHBondContact OG1-CD1 3.28Å; T663-I723 HydrophobicContact CG2-CD1 4.16Å; T663-I723 HydrophobicContact CG2-CG1 3.98Å
664	M	94.1	Very high	90.1	Very high	68 Å²	68	47.7 Å²	47.7	34%	0.335	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146.6	170.6	-62.5	-164.5	-61.3	0	0	111.5	K720 F721 T722 I723	M664-K720 HydrophobicContact CE-CB 4.13Å; M664-K720 HydrophobicContact CG-CB 4.1Å; M664-K720 HydrophobicContact CG-CD 4.23Å; M664-K720 HydrophobicContact SD-CB 4.45Å; M664-F721 PolarHBondContact N-O 3.17Å; M664-T722 HydrophobicContact CB-CG2 4.32Å; M664-T722 WeakPolarHBondContact CE-OG1 3.25Å; M664-T722 CarbonylContact O-C 3.54Å; M664-T722 VanDerWaalsContact O-CA 3.29Å; M664-T722 WeakPolarHBondContact O-CA 3.4Å; M664-I723 PolarHBondContact O-N 2.79Å
665	Y	95.9	Very high	90.9	Very high	49 Å²	49	48.1 Å²	48.1	19%	0.192	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.8	177.8	-52.2	-77.6	0	0	0	110.7	T663 Y669 A671 I676 W680 I723	T663-Y665 HydrophobicContact CG2-CD1 4.27Å; T663-Y665 HydrophobicContact CG2-CE1 3.71Å; T663-Y665 HydrophobicContact CG2-CE2 4.46Å; Y665-Y669 VanDerWaalsContact CB-O 3.26Å; Y665-Y669 WeakPolarHBondContact CB-O 3.35Å; Y665-A671 HydrophobicContact CD2-CB 4.39Å; Y665-A671 HydrophobicContact CE2-CB 3.88Å; Y665-I676 HydrophobicContact CD1-CD1 3.75Å; Y665-I676 HydrophobicContact CD1-CG1 3.98Å; Y665-I676 HydrophobicContact CD1-CG2 3.96Å; Y665-I676 HydrophobicContact CE1-CB 4.39Å; Y665-I676 HydrophobicContact CE1-CD1 3.96Å; Y665-I676 HydrophobicContact CE1-CG1 4.18Å; Y665-I676 HydrophobicContact CE1-CG2 3.32Å; Y665-W680 AromaticContact CE1-NE1 3.98Å; Y665-W680 AromaticContact CZ-NE1 3.85Å; Y665-W680 PolarHBondContact OH-NE1 2.87Å; Y665-I723 CarbonylContact C-O 3.57Å; Y665-I723 WeakPolarHBondContact CA-O 3.41Å; Y665-I723 HydrophobicContact CD1-CB 4.17Å; Y665-I723 HydrophobicContact CE1-CD1 4.13Å
666	K	93.5	Very high	91.5	Very high	101 Å²	101	47.4 Å²	47.4	44%	0.439	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	170.8	-178.2	-68.6	-172	-179.8	179.9	0	112	G668 Y669 T722 I723 E724 K725	K666-G668 VanDerWaalsContact C-N 3.33Å; K666-G668 PolarHBondContact O-N 2.94Å; K666-Y669 WeakPolarHBondContact O-CB 3.41Å; K666-Y669 PolarHBondContact O-N 3.08Å; K666-T722 HydrophobicContact CD-CG2 3.93Å; K666-T722 HydrophobicContact CG-CG2 4.04Å; K666-I723 PolarHBondContact N-O 3.14Å; K666-E724 HydrophobicContact CB-CB 4.03Å; K666-E724 HydrophobicContact CB-CG 3.82Å; K666-K725 PolarHBondContact O-N 3.16Å
667	G	89.7	Confident	91.8	Very high	44 Å²	44	51.2 Å²	51.2	45%	0.454	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	25.1	177.3	0	0	0	0	0	114.5	Y669 K725	G667-Y669 VanDerWaalsContact C-N 3.32Å; G667-K725 VanDerWaalsContact O-CB 3.27Å; G667-K725 WeakPolarHBondContact O-CB 3.41Å
668	G	88.1	Confident	92.1	Very high	70 Å²	70	49.6 Å²	49.6	72%	0.722	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-2.5	-175.2	0	0	0	0	0	114.2	K666	K666-G668 VanDerWaalsContact C-N 3.33Å; K666-G668 PolarHBondContact O-N 2.94Å
669	Y	94.3	Very high	92.5	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.039	28%	0.284	C	S	.	.			trans	-72.8	144.8	164.8	-71.6	-19.2	0	0	0	111.7	Y665 K666 G667 H673 V675 I676 I723 K725 L744 P745 P746	Y665-Y669 VanDerWaalsContact CB-O 3.26Å; Y665-Y669 WeakPolarHBondContact CB-O 3.35Å; K666-Y669 WeakPolarHBondContact O-CB 3.41Å; K666-Y669 PolarHBondContact O-N 3.08Å; G667-Y669 VanDerWaalsContact C-N 3.32Å; Y669-H673 HydrophobicContact CD1-CB 4.42Å; Y669-H673 AromaticContact CD1-CD2 3.97Å; Y669-H673 AromaticContact CD1-CE1 3.79Å; Y669-H673 AromaticContact CD1-CG 3.77Å; Y669-H673 AromaticContact CD1-ND1 3.64Å; Y669-H673 AromaticContact CD1-NE2 3.98Å; Y669-H673 AromaticContact CE1-CE1 3.49Å; Y669-H673 VanDerWaalsContact CE1-CE1 3.49Å; Y669-H673 WeakPolarHBondContact CE1-CE1 3.29Å; Y669-H673 AromaticContact CE1-ND1 3.64Å; Y669-H673 AromaticContact CE1-NE2 3.98Å; Y669-V675 HydrophobicContact CE1-CB 4.26Å; Y669-V675 HydrophobicContact CE1-CG1 4.48Å; Y669-I676 HydrophobicContact CD2-CD1 3.68Å; Y669-I676 HydrophobicContact CD2-CG1 4.25Å; Y669-I676 HydrophobicContact CE2-CD1 4.25Å; Y669-I676 HydrophobicContact CG-CD1 3.96Å; Y669-I676 HydrophobicContact CG-CG1 4.01Å; Y669-I723 HydrophobicContact CD2-CG2 4.11Å; Y669-I723 HydrophobicContact CE2-CG2 4.38Å; Y669-K725 HydrophobicContact CD1-CB 4.01Å; Y669-K725 HydrophobicContact CD1-CD 4.4Å; Y669-K725 HydrophobicContact CD1-CG 4.43Å; Y669-K725 HydrophobicContact CD2-CB 3.86Å; Y669-K725 HydrophobicContact CE1-CB 3.8Å; Y669-K725 HydrophobicContact CE1-CD 3.92Å; Y669-K725 HydrophobicContact CE1-CG 3.81Å; Y669-K725 HydrophobicContact CE2-CB 3.65Å; Y669-K725 HydrophobicContact CE2-CG 4.21Å; Y669-K725 HydrophobicContact CG-CB 4.04Å; Y669-L744 HydrophobicContact CE2-CB 4.13Å; Y669-L744 HydrophobicContact CE2-CD2 4.49Å; Y669-L744 HydrophobicContact CE2-CG 4.49Å; Y669-L744 WeakPolarHBondContact CE2-O 3.29Å; Y669-L744 PolarHBondContact OH-O 3.34Å; Y669-P745 VanDerWaalsContact OH-C 3.28Å; Y669-P745 PolarHBondContact OH-O 3.18Å; Y669-P746 VanDerWaalsContact OH-CA 3.26Å; Y669-P746 WeakPolarHBondContact OH-CA 3.49Å
670	C	92.3	Very high	92.7	Very high	65 Å²	65	48.3 Å²	48.3	44%	0.439	29%	0.285	S	S	.	.			trans	-142.6	167	172.7	67.2	0	0	0	0	108.5	N672 H673	C670-N672 PolarHBondContact O-N 2.87Å; C670-H673 VanDerWaalsContact O-CB 3.27Å; C670-H673 WeakPolarHBondContact O-CB 3.49Å; C670-H673 PolarHBondContact O-N 3.34Å
671	A	89.9	Confident	92.6	Very high	48 Å²	48	49.7 Å²	49.7	40%	0.397	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.6	-176.9	0	0	0	0	0	114	Y665	Y665-A671 HydrophobicContact CD2-CB 4.39Å; Y665-A671 HydrophobicContact CE2-CB 3.88Å
672	N	89.7	Confident	92.6	Very high	118 Å²	118	45.2 Å²	45.2	63%	0.631	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.7	-178.7	-64.2	-17.5	0	0	0	113.7	C670	C670-N672 PolarHBondContact O-N 2.87Å
673	H	92.1	Very high	92.7	Very high	51 Å²	51	43.7 Å²	43.7	24%	0.236	26%	0.259	C	S	.	.	S	Bend	trans	-65	135.8	-179.3	-170.5	-83.6	0	0	0	110.2	Y669 C670 V675 I676 Q677	Y669-H673 HydrophobicContact CD1-CB 4.42Å; Y669-H673 AromaticContact CD1-CD2 3.97Å; Y669-H673 AromaticContact CD1-CE1 3.79Å; Y669-H673 AromaticContact CD1-CG 3.77Å; Y669-H673 AromaticContact CD1-ND1 3.64Å; Y669-H673 AromaticContact CD1-NE2 3.98Å; Y669-H673 AromaticContact CE1-CE1 3.49Å; Y669-H673 VanDerWaalsContact CE1-CE1 3.49Å; Y669-H673 WeakPolarHBondContact CE1-CE1 3.29Å; Y669-H673 AromaticContact CE1-ND1 3.64Å; Y669-H673 AromaticContact CE1-NE2 3.98Å; C670-H673 VanDerWaalsContact O-CB 3.27Å; C670-H673 WeakPolarHBondContact O-CB 3.49Å; C670-H673 PolarHBondContact O-N 3.34Å; H673-V675 VanDerWaalsContact C-N 3.28Å; H673-V675 WeakPolarHBondContact ND1-CB 3.25Å; H673-V675 PolarHBondContact ND1-N 2.71Å; H673-V675 PolarHBondContact O-N 3.12Å; H673-V675 VanDerWaalsContact O-N 3.17Å; H673-I676 HydrophobicContact CB-CB 4.31Å; H673-I676 HydrophobicContact CB-CG1 4.07Å; H673-I676 WeakPolarHBondContact O-CA 3.39Å; H673-I676 WeakPolarHBondContact O-CB 3.47Å; H673-I676 PolarHBondContact O-N 3.28Å; H673-Q677 PolarHBondContact O-N 2.73Å
674	P	91.5	Very high	92.4	Very high	82 Å²	82	43.2 Å²	43.2	53%	0.532	26%	0.255	S	S	.	.	H	α-helix	trans	-54	-40.8	-175.1	-29.1	35.2	0	0	0	114.2	I676 Q677 N678	P674-I676 VanDerWaalsContact C-N 3.34Å; P674-I676 PolarHBondContact O-N 3.08Å; P674-Q677 PolarHBondContact O-N 2.92Å; P674-N678 WeakPolarHBondContact O-CB 3.34Å; P674-N678 PolarHBondContact O-N 3.3Å
675	V	94.3	Very high	92	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.048	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-40.1	176.5	178.4	0	0	0	0	111.8	Y669 H673 N678 F679 L744 L753	Y669-V675 HydrophobicContact CE1-CB 4.26Å; Y669-V675 HydrophobicContact CE1-CG1 4.48Å; H673-V675 VanDerWaalsContact C-N 3.28Å; H673-V675 WeakPolarHBondContact ND1-CB 3.25Å; H673-V675 PolarHBondContact ND1-N 2.71Å; H673-V675 PolarHBondContact O-N 3.12Å; H673-V675 VanDerWaalsContact O-N 3.17Å; V675-N678 PolarHBondContact O-N 3.24Å; V675-F679 WeakPolarHBondContact O-CB 3.05Å; V675-F679 PolarHBondContact O-N 3.4Å; V675-L744 HydrophobicContact CG1-CD2 3.84Å; V675-L744 HydrophobicContact CG1-CG 4.23Å; V675-L753 HydrophobicContact CG1-CD1 4.06Å
676	I	96.1	Very high	91.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-39.1	178.3	-64.5	-56.2	0	0	0	111	Y665 Y669 H673 P674 N678 F679 W680 I723 L744	Y665-I676 HydrophobicContact CD1-CD1 3.75Å; Y665-I676 HydrophobicContact CD1-CG1 3.98Å; Y665-I676 HydrophobicContact CD1-CG2 3.96Å; Y665-I676 HydrophobicContact CE1-CB 4.39Å; Y665-I676 HydrophobicContact CE1-CD1 3.96Å; Y665-I676 HydrophobicContact CE1-CG1 4.18Å; Y665-I676 HydrophobicContact CE1-CG2 3.32Å; Y669-I676 HydrophobicContact CD2-CD1 3.68Å; Y669-I676 HydrophobicContact CD2-CG1 4.25Å; Y669-I676 HydrophobicContact CE2-CD1 4.25Å; Y669-I676 HydrophobicContact CG-CD1 3.96Å; Y669-I676 HydrophobicContact CG-CG1 4.01Å; H673-I676 HydrophobicContact CB-CB 4.31Å; H673-I676 HydrophobicContact CB-CG1 4.07Å; H673-I676 WeakPolarHBondContact O-CA 3.39Å; H673-I676 WeakPolarHBondContact O-CB 3.47Å; H673-I676 PolarHBondContact O-N 3.28Å; P674-I676 VanDerWaalsContact C-N 3.34Å; P674-I676 PolarHBondContact O-N 3.08Å; I676-N678 VanDerWaalsContact C-N 3.33Å; I676-N678 PolarHBondContact O-N 3.28Å; I676-F679 WeakPolarHBondContact O-CB 3.11Å; I676-F679 PolarHBondContact O-N 3.1Å; I676-W680 PolarHBondContact O-N 3.24Å; I676-I723 HydrophobicContact CD1-CB 4.15Å; I676-I723 HydrophobicContact CD1-CD1 4.21Å; I676-I723 HydrophobicContact CD1-CG2 3.67Å; I676-L744 HydrophobicContact CD1-CD2 4.43Å
677	Q	92.7	Very high	90.5	Very high	80 Å²	80	39.2 Å²	39.2	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-43	173.3	-67	-175.2	-10.8	0	0	111.3	H673 P674 W680 K681	H673-Q677 PolarHBondContact O-N 2.73Å; P674-Q677 PolarHBondContact O-N 2.92Å; Q677-W680 PolarHBondContact O-N 3.37Å; Q677-K681 VanDerWaalsContact O-CG 3.28Å; Q677-K681 WeakPolarHBondContact O-CG 3.24Å; Q677-K681 PolarHBondContact O-N 3.01Å
678	N	93.2	Very high	89.7	Confident	29 Å²	29	39.5 Å²	39.5	16%	0.155	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-38.1	176.5	-72.8	-14.8	0	0	0	112.3	P674 V675 I676 K681 C682 Y750 L753	P674-N678 WeakPolarHBondContact O-CB 3.34Å; P674-N678 PolarHBondContact O-N 3.3Å; V675-N678 PolarHBondContact O-N 3.24Å; I676-N678 VanDerWaalsContact C-N 3.33Å; I676-N678 PolarHBondContact O-N 3.28Å; N678-K681 PolarHBondContact O-N 2.86Å; N678-C682 WeakPolarHBondContact O-CB 3.29Å; N678-C682 PolarHBondContact O-N 3.07Å; N678-Y750 HydrophobicContact CB-CD2 4.35Å; N678-L753 HydrophobicContact CB-CD1 4.1Å
679	F	96.3	Very high	88.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.2	-53.7	172.9	174.6	-96	0	0	0	111	V675 I676 K681 C682 V683 L694 F721 I723 L742 L744 L753 L757	V675-F679 WeakPolarHBondContact O-CB 3.05Å; V675-F679 PolarHBondContact O-N 3.4Å; I676-F679 WeakPolarHBondContact O-CB 3.11Å; I676-F679 PolarHBondContact O-N 3.1Å; F679-K681 VanDerWaalsContact C-N 3.35Å; F679-K681 PolarHBondContact O-N 3.42Å; F679-C682 WeakPolarHBondContact O-CA 3.25Å; F679-C682 WeakPolarHBondContact O-CB 3.32Å; F679-C682 PolarHBondContact O-N 3.4Å; F679-V683 HydrophobicContact CD1-CG2 4.25Å; F679-V683 HydrophobicContact CE1-CG2 3.8Å; F679-V683 HydrophobicContact CE2-CG2 4.21Å; F679-V683 HydrophobicContact CZ-CG2 3.79Å; F679-V683 WeakPolarHBondContact O-CG2 3.35Å; F679-V683 PolarHBondContact O-N 3.12Å; F679-L694 HydrophobicContact CE2-CD2 4.21Å; F679-L694 HydrophobicContact CZ-CD2 4.05Å; F679-F721 HydrophobicContact CZ-CE1 4.47Å; F679-F721 HydrophobicContact CZ-CZ 4.48Å; F679-I723 HydrophobicContact CD1-CD1 3.54Å; F679-I723 HydrophobicContact CE1-CD1 3.44Å; F679-I723 VanDerWaalsContact CE1-CD1 3.44Å; F679-I723 HydrophobicContact CG-CD1 4.16Å; F679-I723 HydrophobicContact CZ-CD1 3.97Å; F679-L742 HydrophobicContact CD2-CD2 4.21Å; F679-L742 HydrophobicContact CE2-CD2 3.47Å; F679-L742 VanDerWaalsContact CE2-CD2 3.47Å; F679-L742 HydrophobicContact CZ-CD2 3.95Å; F679-L744 HydrophobicContact CB-CD2 4.09Å; F679-L744 HydrophobicContact CD2-CD2 4.05Å; F679-L744 HydrophobicContact CG-CD2 4.25Å; F679-L753 HydrophobicContact CB-CD1 4.2Å; F679-L757 HydrophobicContact CD2-CD2 4.09Å; F679-L757 HydrophobicContact CE2-CD2 3.94Å
680	W	95.5	Very high	87.5	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-32.1	-179	-69.9	114.9	0	0	0	113.8	F375 V656 W659 K660 T663 Y665 I676 Q677 C682 V683 L684 I723	F375-W680 HydrophobicContact CZ-CB 4.06Å; V656-W680 HydrophobicContact CG1-CE3 4.01Å; V656-W680 HydrophobicContact CG1-CZ3 4.22Å; W659-W680 HydrophobicContact CB-CH2 4.08Å; W659-W680 HydrophobicContact CB-CZ3 4.04Å; W659-W680 AromaticContact CD1-CH2 3.62Å; W659-W680 HydrophobicContact CD2-CH2 4.06Å; W659-W680 AromaticContact CD2-CZ3 3.96Å; W659-W680 HydrophobicContact CD2-CZ3 3.96Å; W659-W680 HydrophobicContact CE3-CZ3 4.36Å; W659-W680 AromaticContact CG-CH2 3.63Å; W659-W680 HydrophobicContact CG-CH2 3.63Å; W659-W680 AromaticContact CG-CZ3 3.8Å; W659-W680 HydrophobicContact CG-CZ3 3.8Å; W659-W680 AromaticContact NE1-CH2 3.98Å; K660-W680 VanDerWaalsContact CA-CH2 3.49Å; K660-W680 VanDerWaalsContact CA-CZ2 3.48Å; K660-W680 HydrophobicContact CB-CD2 3.88Å; K660-W680 HydrophobicContact CB-CE3 3.94Å; K660-W680 HydrophobicContact CB-CH2 3.99Å; K660-W680 HydrophobicContact CB-CZ2 3.92Å; K660-W680 HydrophobicContact CB-CZ3 3.98Å; K660-W680 HydrophobicContact CD-CB 4.47Å; K660-W680 HydrophobicContact CD-CD2 4.14Å; K660-W680 HydrophobicContact CD-CG 3.99Å; K660-W680 HydrophobicContact CG-CD2 3.88Å; K660-W680 HydrophobicContact CG-CE3 4.44Å; K660-W680 HydrophobicContact CG-CG 4.14Å; K660-W680 HydrophobicContact CG-CZ2 4.17Å; T663-W680 HydrophobicContact CG2-CZ2 4.01Å; T663-W680 WeakPolarHBondContact OG1-CZ2 3.44Å; Y665-W680 AromaticContact CE1-NE1 3.98Å; Y665-W680 AromaticContact CZ-NE1 3.85Å; Y665-W680 PolarHBondContact OH-NE1 2.87Å; I676-W680 PolarHBondContact O-N 3.24Å; Q677-W680 PolarHBondContact O-N 3.37Å; W680-C682 VanDerWaalsContact C-N 3.27Å; W680-C682 PolarHBondContact O-N 3.27Å; W680-V683 HydrophobicContact CE3-CB 4.24Å; W680-V683 HydrophobicContact CE3-CG1 4.46Å; W680-V683 HydrophobicContact CE3-CG2 4.35Å; W680-V683 HydrophobicContact CZ3-CG1 4.44Å; W680-V683 PolarHBondContact O-N 2.86Å; W680-L684 WeakPolarHBondContact O-CG 3.26Å; W680-L684 PolarHBondContact O-N 2.93Å; W680-I723 HydrophobicContact CZ2-CD1 4.44Å
681	K	89.6	Confident	87.1	Confident	77 Å²	77	39.8 Å²	39.8	34%	0.335	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-40.8	168.6	-73.9	173.1	-174.6	177.6	0	111.2	Q677 N678 F679 L684 S685 Y750	Q677-K681 VanDerWaalsContact O-CG 3.28Å; Q677-K681 WeakPolarHBondContact O-CG 3.24Å; Q677-K681 PolarHBondContact O-N 3.01Å; N678-K681 PolarHBondContact O-N 2.86Å; F679-K681 VanDerWaalsContact C-N 3.35Å; F679-K681 PolarHBondContact O-N 3.42Å; K681-L684 PolarHBondContact O-N 3.11Å; K681-S685 PolarHBondContact O-N 3.43Å; K681-S685 VanDerWaalsContact O-N 3.13Å; K681-Y750 HydrophobicContact CB-CD2 4.36Å; K681-Y750 HydrophobicContact CB-CE2 4.05Å
682	C	91.6	Very high	86.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-48.3	177	-165.1	0	0	0	0	110.9	N678 F679 W680 L684 S685 F686 Y750 L753	N678-C682 WeakPolarHBondContact O-CB 3.29Å; N678-C682 PolarHBondContact O-N 3.07Å; F679-C682 WeakPolarHBondContact O-CA 3.25Å; F679-C682 WeakPolarHBondContact O-CB 3.32Å; F679-C682 PolarHBondContact O-N 3.4Å; W680-C682 VanDerWaalsContact C-N 3.27Å; W680-C682 PolarHBondContact O-N 3.27Å; C682-L684 VanDerWaalsContact C-N 3.32Å; C682-L684 PolarHBondContact O-N 3.32Å; C682-S685 PolarHBondContact O-N 3.48Å; C682-S685 PolarHBondContact O-OG 3Å; C682-F686 VanDerWaalsContact O-CD1 3.25Å; C682-F686 WeakPolarHBondContact O-CD1 3.44Å; C682-F686 WeakPolarHBondContact O-CG 3.29Å; C682-F686 PolarHBondContact O-N 2.75Å; C682-F686 WeakPolarHBondContact SG-CE1 3.46Å; C682-F686 WeakPolarHBondContact SG-CZ 3.39Å; C682-Y750 HydrophobicContact CB-CE2 3.97Å; C682-L753 HydrophobicContact CB-CD2 3.94Å
683	V	91.9	Very high	85.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-37.9	178	-178.6	0	0	0	0	112.2	V656 W659 F679 W680 S685 F686 R691 L694	V656-V683 HydrophobicContact CG1-CB 4.31Å; V656-V683 HydrophobicContact CG1-CG1 3.72Å; V656-V683 HydrophobicContact CG2-CG1 4.07Å; W659-V683 HydrophobicContact CE3-CG1 4.03Å; W659-V683 HydrophobicContact CZ3-CG1 3.86Å; F679-V683 HydrophobicContact CD1-CG2 4.25Å; F679-V683 HydrophobicContact CE1-CG2 3.8Å; F679-V683 HydrophobicContact CE2-CG2 4.21Å; F679-V683 HydrophobicContact CZ-CG2 3.79Å; F679-V683 WeakPolarHBondContact O-CG2 3.35Å; F679-V683 PolarHBondContact O-N 3.12Å; W680-V683 HydrophobicContact CE3-CB 4.24Å; W680-V683 HydrophobicContact CE3-CG1 4.46Å; W680-V683 HydrophobicContact CE3-CG2 4.35Å; W680-V683 HydrophobicContact CZ3-CG1 4.44Å; W680-V683 PolarHBondContact O-N 2.86Å; V683-S685 VanDerWaalsContact C-N 3.28Å; V683-S685 PolarHBondContact O-N 3.05Å; V683-F686 WeakPolarHBondContact O-CB 3.3Å; V683-F686 PolarHBondContact O-N 2.9Å; V683-R691 HydrophobicContact CG1-CG 4.22Å; V683-R691 PolarHBondContact O-NE 3.5Å; V683-L694 HydrophobicContact CG2-CD2 3.61Å
684	L	88.2	Confident	84.7	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-30.4	173.8	-78.6	174.9	0	0	0	113	F375 I380 A381 V656 W680 K681 C682 F686 R691	F375-L684 HydrophobicContact CD1-CD1 4.2Å; F375-L684 HydrophobicContact CD1-CD2 4.19Å; F375-L684 HydrophobicContact CD2-CD1 4.11Å; F375-L684 HydrophobicContact CE1-CD1 3.78Å; F375-L684 HydrophobicContact CE1-CD2 4.11Å; F375-L684 HydrophobicContact CE1-CG 4.03Å; F375-L684 HydrophobicContact CE2-CD1 3.66Å; F375-L684 HydrophobicContact CG-CD1 4.34Å; F375-L684 HydrophobicContact CZ-CD1 3.47Å; F375-L684 VanDerWaalsContact CZ-CD1 3.47Å; F375-L684 HydrophobicContact CZ-CG 4.11Å; I380-L684 HydrophobicContact CG2-CD2 4.26Å; A381-L684 HydrophobicContact CB-CD2 4.13Å; V656-L684 HydrophobicContact CB-CD2 4.03Å; V656-L684 HydrophobicContact CG1-CD2 3.84Å; V656-L684 HydrophobicContact CG1-CG 4.1Å; V656-L684 HydrophobicContact CG2-CD2 4.45Å; W680-L684 WeakPolarHBondContact O-CG 3.26Å; W680-L684 PolarHBondContact O-N 2.93Å; K681-L684 PolarHBondContact O-N 3.11Å; C682-L684 VanDerWaalsContact C-N 3.32Å; C682-L684 PolarHBondContact O-N 3.32Å; L684-F686 VanDerWaalsContact C-N 3.31Å; L684-R691 PolarHBondContact O-NH2 3.32Å
685	S	86.3	Confident	84.3	Confident	32 Å²	32	31.6 Å²	31.6	22%	0.224	15%	0.153	C	C	.	.	H	α-helix	trans	-77.6	-16.6	177.1	67.6	0	0	0	0	113.9	K681 C682 V683 Y750	K681-S685 PolarHBondContact O-N 3.43Å; K681-S685 VanDerWaalsContact O-N 3.13Å; C682-S685 PolarHBondContact O-N 3.48Å; C682-S685 PolarHBondContact O-OG 3Å; V683-S685 VanDerWaalsContact C-N 3.28Å; V683-S685 PolarHBondContact O-N 3.05Å; S685-Y750 PolarHBondContact OG-OH 2.86Å
686	F	83.4	Confident	83	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.031	16%	0.163	C	C	.	.	S	Bend	trans	-75.4	146.6	176.2	-65	-10.5	0	0	0	110.8	C682 V683 L684 L690 R691 L694 K754 L757 M758 I761	C682-F686 VanDerWaalsContact O-CD1 3.25Å; C682-F686 WeakPolarHBondContact O-CD1 3.44Å; C682-F686 WeakPolarHBondContact O-CG 3.29Å; C682-F686 PolarHBondContact O-N 2.75Å; C682-F686 WeakPolarHBondContact SG-CE1 3.46Å; C682-F686 WeakPolarHBondContact SG-CZ 3.39Å; V683-F686 WeakPolarHBondContact O-CB 3.3Å; V683-F686 PolarHBondContact O-N 2.9Å; L684-F686 VanDerWaalsContact C-N 3.31Å; F686-L690 HydrophobicContact CB-CB 4.04Å; F686-L690 HydrophobicContact CB-CD2 4.08Å; F686-L690 HydrophobicContact CB-CG 4.14Å; F686-L690 HydrophobicContact CD1-CD2 3.3Å; F686-L690 HydrophobicContact CD1-CG 4.06Å; F686-L690 HydrophobicContact CD2-CB 4.4Å; F686-L690 HydrophobicContact CD2-CD2 3.9Å; F686-L690 HydrophobicContact CD2-CG 3.71Å; F686-L690 HydrophobicContact CE1-CD2 3.51Å; F686-L690 HydrophobicContact CE1-CG 4.33Å; F686-L690 HydrophobicContact CE2-CD2 4.08Å; F686-L690 HydrophobicContact CE2-CG 4.01Å; F686-L690 HydrophobicContact CG-CB 4.2Å; F686-L690 HydrophobicContact CG-CD2 3.5Å; F686-L690 VanDerWaalsContact CG-CD2 3.5Å; F686-L690 HydrophobicContact CG-CG 3.72Å; F686-L690 HydrophobicContact CZ-CD2 3.89Å; F686-L690 HydrophobicContact CZ-CG 4.3Å; F686-R691 HydrophobicContact CB-CG 3.87Å; F686-R691 PolarHBondContact O-NE 2.8Å; F686-R691 PolarHBondContact O-NH2 2.79Å; F686-L694 HydrophobicContact CE2-CD2 4.31Å; F686-K754 HydrophobicContact CE1-CG 4.48Å; F686-L757 HydrophobicContact CE2-CD2 4.28Å; F686-L757 HydrophobicContact CZ-CD2 4.36Å; F686-M758 HydrophobicContact CE1-CG 4.34Å; F686-M758 HydrophobicContact CE1-SD 4.2Å; F686-M758 HydrophobicContact CZ-CG 4.15Å; F686-I761 HydrophobicContact CE2-CD1 4.45Å
687	D	74.3	Confident	82.2	Confident	95 Å²	95	34.7 Å²	34.7	51%	0.508	17%	0.167	S	C	.	.			trans	-72.2	177.5	163.8	63.8	12.5	0	0	0	110.8	E689 L690 R691	D687-E689 VanDerWaalsContact C-N 3.25Å; D687-E689 PolarHBondContact O-N 2.8Å; D687-E689 PolarHBondContact OD1-N 3.21Å; D687-L690 WeakPolarHBondContact OD1-CB 3.23Å; D687-L690 PolarHBondContact OD1-N 2.92Å; D687-R691 WeakPolarHBondContact O-CB 3.22Å; D687-R691 WeakPolarHBondContact O-CG 3.48Å; D687-R691 PolarHBondContact O-N 3.01Å; D687-R691 VanDerWaalsContact O-N 3.09Å
688	N	73.1	Confident	81.6	Confident	50 Å²	50	30.9 Å²	30.9	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-67.2	-28.9	-177.5	-165.5	78.3	0	0	0	112.6	Q652 K653 I654 S692	Q652-N688 PolarHBondContact O-ND2 2.93Å; K653-N688 WeakPolarHBondContact CA-OD1 3.44Å; I654-N688 PolarHBondContact N-OD1 3.06Å; N688-S692 WeakPolarHBondContact O-CB 3.2Å; N688-S692 PolarHBondContact O-N 2.87Å; N688-S692 PolarHBondContact O-OG 2.93Å
689	E	65.6	Low	80.6	Confident	108 Å²	108	29.5 Å²	29.5	51%	0.505	14%	0.142	S	C	.	.	H	α-helix	trans	-65.8	-52.7	178.3	-169.6	-160.3	158.4	0	0	110.8	D687 R691 S692 R693	D687-E689 VanDerWaalsContact C-N 3.25Å; D687-E689 PolarHBondContact O-N 2.8Å; D687-E689 PolarHBondContact OD1-N 3.21Å; E689-R691 VanDerWaalsContact C-N 3.3Å; E689-R691 PolarHBondContact O-N 2.87Å; E689-S692 CarbonylContact O-C 3.59Å; E689-S692 WeakPolarHBondContact O-CA 3.4Å; E689-S692 VanDerWaalsContact O-CB 3.28Å; E689-S692 WeakPolarHBondContact O-CB 3.42Å; E689-S692 PolarHBondContact O-N 3.44Å; E689-R693 PolarHBondContact O-N 2.82Å; E689-R693 IonicContact OE1-CZ 2.67Å; E689-R693 IonicContact OE1-NE 3.17Å; E689-R693 PolarHBondContact OE1-NE 2.67Å; E689-R693 VanDerWaalsContact OE1-NE 3.14Å; E689-R693 IonicContact OE1-NH2 3.32Å; E689-R693 PolarHBondContact OE1-NH2 3.07Å
690	L	69.3	Low	79	Confident	27 Å²	27	29.8 Å²	29.8	14%	0.141	15%	0.145	C	C	.	.	H	α-helix	trans	-68.6	-31.1	-178.6	-174.9	60.2	0	0	0	111.8	F686 D687 S692 R693 L694 M758 I761	F686-L690 HydrophobicContact CB-CB 4.04Å; F686-L690 HydrophobicContact CB-CD2 4.08Å; F686-L690 HydrophobicContact CB-CG 4.14Å; F686-L690 HydrophobicContact CD1-CD2 3.3Å; F686-L690 HydrophobicContact CD1-CG 4.06Å; F686-L690 HydrophobicContact CD2-CB 4.4Å; F686-L690 HydrophobicContact CD2-CD2 3.9Å; F686-L690 HydrophobicContact CD2-CG 3.71Å; F686-L690 HydrophobicContact CE1-CD2 3.51Å; F686-L690 HydrophobicContact CE1-CG 4.33Å; F686-L690 HydrophobicContact CE2-CD2 4.08Å; F686-L690 HydrophobicContact CE2-CG 4.01Å; F686-L690 HydrophobicContact CG-CB 4.2Å; F686-L690 HydrophobicContact CG-CD2 3.5Å; F686-L690 VanDerWaalsContact CG-CD2 3.5Å; F686-L690 HydrophobicContact CG-CG 3.72Å; F686-L690 HydrophobicContact CZ-CD2 3.89Å; F686-L690 HydrophobicContact CZ-CG 4.3Å; D687-L690 WeakPolarHBondContact OD1-CB 3.23Å; D687-L690 PolarHBondContact OD1-N 2.92Å; L690-S692 VanDerWaalsContact C-N 3.34Å; L690-R693 PolarHBondContact O-N 2.86Å; L690-L694 PolarHBondContact O-N 2.95Å; L690-M758 HydrophobicContact CD2-SD 3.6Å; L690-M758 VanDerWaalsContact CD2-SD 3.6Å; L690-I761 HydrophobicContact CD1-CD1 4.5Å; L690-I761 HydrophobicContact CD1-CG2 4.45Å
691	R	85.1	Confident	77.4	Confident	15 Å²	15	30.8 Å²	30.8	6%	0.057	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-43.4	167.6	-71.4	171.2	-167.8	169.9	8.8	111.7	I380 I654 V683 L684 F686 D687 E689 L694 L695	I380-R691 VanDerWaalsContact O-CZ 3.24Å; I380-R691 PolarHBondContact O-NH1 3.29Å; I380-R691 PolarHBondContact O-NH2 2.91Å; I654-R691 HydrophobicContact CB-CB 4.34Å; I654-R691 VanDerWaalsContact CD1-C 3.44Å; I654-R691 HydrophobicContact CD1-CB 3.7Å; I654-R691 HydrophobicContact CG2-CB 4.43Å; V683-R691 HydrophobicContact CG1-CG 4.22Å; V683-R691 PolarHBondContact O-NE 3.5Å; L684-R691 PolarHBondContact O-NH2 3.32Å; F686-R691 HydrophobicContact CB-CG 3.87Å; F686-R691 PolarHBondContact O-NE 2.8Å; F686-R691 PolarHBondContact O-NH2 2.79Å; D687-R691 WeakPolarHBondContact O-CB 3.22Å; D687-R691 WeakPolarHBondContact O-CG 3.48Å; D687-R691 PolarHBondContact O-N 3.01Å; D687-R691 VanDerWaalsContact O-N 3.09Å; E689-R691 VanDerWaalsContact C-N 3.3Å; E689-R691 PolarHBondContact O-N 2.87Å; R691-L694 PolarHBondContact O-N 3.43Å; R691-L695 WeakPolarHBondContact O-CB 3.43Å; R691-L695 PolarHBondContact O-N 2.82Å
692	S	70.5	Confident	76.1	Confident	17 Å²	17	27.8 Å²	27.8	12%	0.119	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-40.1	176.4	-85.1	0	0	0	0	111.9	I654 N688 E689 L690 L695 Q696 S702	I654-S692 WeakPolarHBondContact CD1-OG 3.49Å; N688-S692 WeakPolarHBondContact O-CB 3.2Å; N688-S692 PolarHBondContact O-N 2.87Å; N688-S692 PolarHBondContact O-OG 2.93Å; E689-S692 CarbonylContact O-C 3.59Å; E689-S692 WeakPolarHBondContact O-CA 3.4Å; E689-S692 VanDerWaalsContact O-CB 3.28Å; E689-S692 WeakPolarHBondContact O-CB 3.42Å; E689-S692 PolarHBondContact O-N 3.44Å; L690-S692 VanDerWaalsContact C-N 3.34Å; S692-L695 PolarHBondContact O-N 3.16Å; S692-Q696 WeakPolarHBondContact O-CB 3.38Å; S692-Q696 PolarHBondContact O-N 3.35Å; S692-S702 WeakPolarHBondContact O-CA 3.4Å; S692-S702 PolarHBondContact OG-O 2.62Å; S692-S702 VanDerWaalsContact OG-O 3.05Å
693	R	67.9	Low	74.9	Confident	111 Å²	111	28.2 Å²	28.2	42%	0.419	14%	0.142	S	C	.	.	H	α-helix	trans	-66.2	-42.4	174.4	-64.5	-174.1	-174	-168.5	-0	112.5	E689 L690 L695 Q696 F697 I761	E689-R693 PolarHBondContact O-N 2.82Å; E689-R693 IonicContact OE1-CZ 2.67Å; E689-R693 IonicContact OE1-NE 3.17Å; E689-R693 PolarHBondContact OE1-NE 2.67Å; E689-R693 VanDerWaalsContact OE1-NE 3.14Å; E689-R693 IonicContact OE1-NH2 3.32Å; E689-R693 PolarHBondContact OE1-NH2 3.07Å; L690-R693 PolarHBondContact O-N 2.86Å; R693-L695 VanDerWaalsContact C-N 3.34Å; R693-Q696 PolarHBondContact O-N 2.87Å; R693-F697 WeakPolarHBondContact O-CB 2.94Å; R693-F697 PolarHBondContact O-N 2.95Å; R693-I761 HydrophobicContact CB-CG2 3.51Å
694	L	83.1	Confident	73.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-43.8	173.3	172.9	60.7	0	0	0	111.5	W659 F679 V683 F686 L690 R691 Q696 F697 V698 L757 I761	W659-L694 HydrophobicContact CH2-CB 4.35Å; W659-L694 HydrophobicContact CH2-CD2 3.82Å; W659-L694 HydrophobicContact CH2-CG 3.86Å; W659-L694 HydrophobicContact CZ2-CD2 4.49Å; W659-L694 HydrophobicContact CZ2-CG 4.45Å; W659-L694 HydrophobicContact CZ3-CD2 4.46Å; F679-L694 HydrophobicContact CE2-CD2 4.21Å; F679-L694 HydrophobicContact CZ-CD2 4.05Å; V683-L694 HydrophobicContact CG2-CD2 3.61Å; F686-L694 HydrophobicContact CE2-CD2 4.31Å; L690-L694 PolarHBondContact O-N 2.95Å; R691-L694 PolarHBondContact O-N 3.43Å; L694-Q696 VanDerWaalsContact C-N 3.29Å; L694-Q696 PolarHBondContact O-N 2.83Å; L694-F697 HydrophobicContact CD1-CD1 4.38Å; L694-F697 WeakPolarHBondContact O-CB 3.35Å; L694-F697 PolarHBondContact O-N 2.92Å; L694-V698 HydrophobicContact CD1-CG2 4.07Å; L694-V698 WeakPolarHBondContact O-CG2 3.45Å; L694-V698 PolarHBondContact O-N 2.9Å; L694-V698 VanDerWaalsContact O-N 3.1Å; L694-L757 HydrophobicContact CD1-CD1 3.89Å; L694-L757 HydrophobicContact CD1-CD2 4.39Å; L694-L757 HydrophobicContact CD1-CG 4.35Å; L694-L757 HydrophobicContact CD2-CD2 4.37Å; L694-I761 HydrophobicContact CB-CD1 3.74Å; L694-I761 HydrophobicContact CB-CG1 4.41Å; L694-I761 HydrophobicContact CD1-CD1 3.87Å; L694-I761 HydrophobicContact CD1-CG1 4.2Å; L694-I761 HydrophobicContact CG-CD1 4.32Å
695	L	81.8	Confident	72.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-43.7	177	-174.8	60.7	0	0	0	110.5	I654 W659 R691 S692 R693 V698 T699 T701 V704 F709	I654-L695 HydrophobicContact CD1-CB 4.22Å; I654-L695 HydrophobicContact CD1-CD2 3.9Å; I654-L695 HydrophobicContact CG1-CD2 4.31Å; W659-L695 HydrophobicContact CH2-CB 4.04Å; W659-L695 HydrophobicContact CH2-CD1 4.23Å; W659-L695 HydrophobicContact CZ2-CB 4.47Å; W659-L695 HydrophobicContact CZ2-CD1 3.88Å; R691-L695 WeakPolarHBondContact O-CB 3.43Å; R691-L695 PolarHBondContact O-N 2.82Å; S692-L695 PolarHBondContact O-N 3.16Å; R693-L695 VanDerWaalsContact C-N 3.34Å; L695-V698 PolarHBondContact O-N 2.81Å; L695-T699 HydrophobicContact CD1-CG2 3.76Å; L695-T699 WeakPolarHBondContact O-CA 3.34Å; L695-T699 WeakPolarHBondContact O-CB 3.25Å; L695-T699 PolarHBondContact O-N 3.25Å; L695-T699 PolarHBondContact O-OG1 3.26Å; L695-T701 CarbonylContact C-O 3.59Å; L695-T701 VanDerWaalsContact C-O 3.27Å; L695-T701 WeakPolarHBondContact CG-O 3.33Å; L695-V704 HydrophobicContact CD2-CG2 3.69Å; L695-F709 HydrophobicContact CD1-CE1 3.56Å; L695-F709 HydrophobicContact CD1-CZ 4.05Å; L695-F709 HydrophobicContact CD2-CE1 4.42Å; L695-F709 HydrophobicContact CD2-CZ 4.18Å
696	Q	67.9	Low	71.7	Confident	56 Å²	56	29 Å²	29	26%	0.262	15%	0.145	S	C	.	.	H	α-helix	trans	-63.6	-44	176	-175.8	176.8	27.6	0	0	112.2	S692 R693 L694 V698 T699 G700 T701	S692-Q696 WeakPolarHBondContact O-CB 3.38Å; S692-Q696 PolarHBondContact O-N 3.35Å; R693-Q696 PolarHBondContact O-N 2.87Å; L694-Q696 VanDerWaalsContact C-N 3.29Å; L694-Q696 PolarHBondContact O-N 2.83Å; Q696-V698 VanDerWaalsContact C-N 3.25Å; Q696-V698 PolarHBondContact O-N 3.06Å; Q696-T699 PolarHBondContact O-N 3.42Å; Q696-G700 WeakPolarHBondContact O-CA 3.49Å; Q696-G700 PolarHBondContact O-N 2.98Å; Q696-T701 WeakPolarHBondContact CA-O 3.34Å; Q696-T701 PolarHBondContact N-O 2.79Å; Q696-T701 VanDerWaalsContact N-O 3.13Å
697	F	78.2	Confident	70.8	Confident	16 Å²	16	30.3 Å²	30.3	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-54	-44.9	175.7	173.8	-119.2	0	0	0	111.4	R693 L694 A735 T737 L742 A760 I761 A764 F767	R693-F697 WeakPolarHBondContact O-CB 2.94Å; R693-F697 PolarHBondContact O-N 2.95Å; L694-F697 HydrophobicContact CD1-CD1 4.38Å; L694-F697 WeakPolarHBondContact O-CB 3.35Å; L694-F697 PolarHBondContact O-N 2.92Å; F697-A735 HydrophobicContact CD1-CB 4.19Å; F697-A735 HydrophobicContact CD2-CB 4.22Å; F697-A735 HydrophobicContact CE1-CB 3.99Å; F697-A735 HydrophobicContact CE2-CB 4.03Å; F697-A735 HydrophobicContact CG-CB 4.31Å; F697-A735 HydrophobicContact CZ-CB 3.92Å; F697-A735 WeakPolarHBondContact O-CB 3.45Å; F697-T737 WeakPolarHBondContact O-CG2 3.43Å; F697-L742 HydrophobicContact CD1-CD1 4.42Å; F697-L742 HydrophobicContact CE1-CD1 3.87Å; F697-A760 HydrophobicContact CE1-CB 4.33Å; F697-A760 HydrophobicContact CZ-CB 4Å; F697-I761 HydrophobicContact CB-CG1 4.3Å; F697-I761 HydrophobicContact CD1-CG1 4.25Å; F697-I761 HydrophobicContact CG-CG1 4.36Å; F697-A764 HydrophobicContact CD2-CB 3.41Å; F697-A764 VanDerWaalsContact CD2-CB 3.41Å; F697-A764 HydrophobicContact CE2-CB 3.77Å; F697-A764 HydrophobicContact CG-CB 4.49Å; F697-F767 AromaticContact CE2-CE2 3.83Å; F697-F767 HydrophobicContact CE2-CE2 3.83Å
698	V	80.6	Confident	70.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-87.8	-25.9	-175.1	-176.3	0	0	0	0	114	L694 L695 Q696 F721 T737 L742	L694-V698 HydrophobicContact CD1-CG2 4.07Å; L694-V698 WeakPolarHBondContact O-CG2 3.45Å; L694-V698 PolarHBondContact O-N 2.9Å; L694-V698 VanDerWaalsContact O-N 3.1Å; L695-V698 PolarHBondContact O-N 2.81Å; Q696-V698 VanDerWaalsContact C-N 3.25Å; Q696-V698 PolarHBondContact O-N 3.06Å; V698-F721 HydrophobicContact CB-CE2 3.56Å; V698-F721 HydrophobicContact CB-CZ 4.08Å; V698-F721 HydrophobicContact CG1-CD2 3.93Å; V698-F721 HydrophobicContact CG1-CE2 3.23Å; V698-F721 HydrophobicContact CG1-CZ 3.68Å; V698-F721 HydrophobicContact CG2-CE2 4.04Å; V698-F721 HydrophobicContact CG2-CZ 4.06Å; V698-T737 VanDerWaalsContact O-CA 3.3Å; V698-T737 WeakPolarHBondContact O-CA 3.39Å; V698-L742 HydrophobicContact CG1-CB 3.98Å; V698-L742 HydrophobicContact CG2-CB 3.96Å; V698-L742 HydrophobicContact CG2-CD1 3.96Å; V698-L742 HydrophobicContact CG2-CD2 4.46Å; V698-L742 HydrophobicContact CG2-CG 4.34Å
699	T	72.1	Confident	71.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-126.6	1.6	-170.1	74.7	0	0	0	0	113.8	R461 L695 Q696 T701 F721 N740	R461-T699 PolarHBondContact NH1-O 2.93Å; L695-T699 HydrophobicContact CD1-CG2 3.76Å; L695-T699 WeakPolarHBondContact O-CA 3.34Å; L695-T699 WeakPolarHBondContact O-CB 3.25Å; L695-T699 PolarHBondContact O-N 3.25Å; L695-T699 PolarHBondContact O-OG1 3.26Å; Q696-T699 PolarHBondContact O-N 3.42Å; T699-T701 PolarHBondContact O-N 2.74Å; T699-T701 VanDerWaalsContact O-N 3.08Å; T699-T701 WeakPolarHBondContact OG1-CG2 3.26Å; T699-T701 PolarHBondContact OG1-O 2.75Å; T699-T701 VanDerWaalsContact OG1-O 3.1Å; T699-F721 HydrophobicContact CG2-CD2 4.03Å; T699-F721 HydrophobicContact CG2-CE2 4.31Å; T699-N740 HydrophobicContact CG2-CB 4.05Å
700	G	62.4	Low	71.9	Confident	7 Å²	7	19.5 Å²	19.5	7%	0.072	10%	0.104	C	C	.	.	S	Bend	trans	64.6	7.2	-177	0	0	0	0	0	114.9	Q696	Q696-G700 WeakPolarHBondContact O-CA 3.49Å; Q696-G700 PolarHBondContact O-N 2.98Å
701	T	63.5	Low	72.1	Confident	24 Å²	24	20.4 Å²	20.4	15%	0.147	11%	0.107	C	C	.	.			trans	-139.6	141.2	175.1	177.8	0	0	0	0	110	L695 Q696 T699 R703	L695-T701 CarbonylContact C-O 3.59Å; L695-T701 VanDerWaalsContact C-O 3.27Å; L695-T701 WeakPolarHBondContact CG-O 3.33Å; Q696-T701 WeakPolarHBondContact CA-O 3.34Å; Q696-T701 PolarHBondContact N-O 2.79Å; Q696-T701 VanDerWaalsContact N-O 3.13Å; T699-T701 PolarHBondContact O-N 2.74Å; T699-T701 VanDerWaalsContact O-N 3.08Å; T699-T701 WeakPolarHBondContact OG1-CG2 3.26Å; T699-T701 PolarHBondContact OG1-O 2.75Å; T699-T701 VanDerWaalsContact OG1-O 3.1Å; T701-R703 PolarHBondContact O-N 3.15Å; T701-R703 PolarHBondContact OG1-N 3Å
702	S	62	Low	71.5	Confident	14 Å²	14	20 Å²	20	10%	0.098	11%	0.106	C	C	.	.	S	Bend	trans	-84.3	1.8	175.5	55.6	0	0	0	0	113.4	S692	S692-S702 WeakPolarHBondContact O-CA 3.4Å; S692-S702 PolarHBondContact OG-O 2.62Å; S692-S702 VanDerWaalsContact OG-O 3.05Å
703	R	66.3	Low	71.3	Confident	10 Å²	10	22.6 Å²	22.6	4%	0.038	11%	0.114	C	C	.	.			trans	-115.8	145.3	-168.8	-58.5	-70.5	-174.1	120.7	3.8	112.4	L522 D524 C649 T701	L522-R703 HydrophobicContact CD1-CB 3.44Å; L522-R703 VanDerWaalsContact CD1-CB 3.44Å; L522-R703 HydrophobicContact CD1-CG 4.33Å; D524-R703 IonicContact OD1-CZ 2.95Å; D524-R703 IonicContact OD1-NE 3.63Å; D524-R703 IonicContact OD1-NH2 3.25Å; D524-R703 PolarHBondContact OD1-NH2 3.28Å; C649-R703 VanDerWaalsContact O-CD 3.27Å; C649-R703 WeakPolarHBondContact O-CD 3.32Å; C649-R703 WeakPolarHBondContact O-CG 3.42Å; C649-R703 PolarHBondContact O-NH1 3.34Å; T701-R703 PolarHBondContact O-N 3.15Å; T701-R703 PolarHBondContact OG1-N 3Å
704	V	70.3	Confident	71.1	Confident	3 Å²	3	17.5 Å²	17.5	2%	0.018	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-97.7	138.6	175.3	-170.9	0	0	0	0	109.2	L651 I654 L695 F709	L651-V704 HydrophobicContact CB-CB 4.27Å; L651-V704 PolarHBondContact N-O 2.77Å; L651-V704 PolarHBondContact O-N 2.81Å; I654-V704 HydrophobicContact CB-CG2 4.49Å; I654-V704 HydrophobicContact CG1-CG2 3.77Å; L695-V704 HydrophobicContact CD2-CG2 3.69Å; V704-F709 HydrophobicContact CB-CE2 4.24Å; V704-F709 HydrophobicContact CG1-CD2 3.64Å; V704-F709 HydrophobicContact CG1-CE2 3.65Å; V704-F709 HydrophobicContact CG1-CG 4.22Å; V704-F709 HydrophobicContact CG1-CZ 4.22Å; V704-F709 HydrophobicContact CG2-CD2 4.31Å; V704-F709 HydrophobicContact CG2-CE1 4.4Å; V704-F709 HydrophobicContact CG2-CE2 3.46Å; V704-F709 VanDerWaalsContact CG2-CE2 3.46Å; V704-F709 HydrophobicContact CG2-CZ 3.5Å
705	P	65.6	Low	69.9	Low	30 Å²	30	19.1 Å²	19.1	20%	0.195	11%	0.107	C	C	.	.			trans	-54.5	151.3	169.1	-23.8	33.7	0	0	0	111.6	L651 N707 G708 L712	L651-P705 WeakPolarHBondContact CD1-O 3.4Å; P705-N707 PolarHBondContact O-N 3.22Å; P705-N707 VanDerWaalsContact O-N 3.12Å; P705-G708 PolarHBondContact O-N 3Å; P705-L712 HydrophobicContact CG-CD2 4.21Å
706	M	62	Low	69	Low	20 Å²	20	26.4 Å²	26.4	10%	0.099	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-41	178.7	-169.3	-165	-70.2	0	0	112.7	V385 Y391 E643 L646 G708	V385-M706 WeakPolarHBondContact CG1-O 3.47Å; Y391-M706 HydrophobicContact CD1-CB 4.36Å; Y391-M706 HydrophobicContact CD1-CE 3.38Å; Y391-M706 HydrophobicContact CD1-CG 4.3Å; Y391-M706 HydrophobicContact CD1-SD 3.15Å; Y391-M706 WeakPolarHBondContact CD1-SD 3.26Å; Y391-M706 HydrophobicContact CD2-CE 3.25Å; Y391-M706 HydrophobicContact CD2-SD 4.11Å; Y391-M706 HydrophobicContact CE1-CB 3.86Å; Y391-M706 HydrophobicContact CE1-CE 3.43Å; Y391-M706 VanDerWaalsContact CE1-CE 3.43Å; Y391-M706 HydrophobicContact CE1-CG 4.24Å; Y391-M706 HydrophobicContact CE1-SD 3.55Å; Y391-M706 VanDerWaalsContact CE1-SD 3.55Å; Y391-M706 HydrophobicContact CE2-CE 3.29Å; Y391-M706 HydrophobicContact CE2-SD 4.41Å; Y391-M706 HydrophobicContact CG-CE 3.25Å; Y391-M706 HydrophobicContact CG-SD 3.43Å; E643-M706 HydrophobicContact CG-CE 4.5Å; L646-M706 HydrophobicContact CB-CE 3.62Å; L646-M706 HydrophobicContact CD1-CB 3.77Å; L646-M706 HydrophobicContact CD1-CG 3.99Å; L646-M706 HydrophobicContact CD2-CB 4.17Å; L646-M706 HydrophobicContact CD2-CE 3.49Å; L646-M706 VanDerWaalsContact CD2-CE 3.49Å; L646-M706 HydrophobicContact CD2-CG 3.46Å; L646-M706 VanDerWaalsContact CD2-CG 3.46Å; L646-M706 HydrophobicContact CD2-SD 3.99Å; L646-M706 HydrophobicContact CG-CB 3.63Å; L646-M706 HydrophobicContact CG-CE 3.3Å; L646-M706 HydrophobicContact CG-CG 3.47Å; L646-M706 VanDerWaalsContact CG-CG 3.47Å; L646-M706 HydrophobicContact CG-SD 4.11Å; M706-G708 PolarHBondContact O-N 2.65Å; M706-G708 VanDerWaalsContact O-N 3.14Å
707	N	66	Low	68.9	Low	34 Å²	34	24.8 Å²	24.8	18%	0.182	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	13.8	-176.6	-67.4	-36.5	0	0	0	112.7	P705 E711	P705-N707 PolarHBondContact O-N 3.22Å; P705-N707 VanDerWaalsContact O-N 3.12Å; N707-E711 HydrophobicContact CB-CB 4.12Å; N707-E711 HydrophobicContact CB-CG 3.6Å
708	G	73.7	Confident	68.5	Low	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.			trans	81.2	-167.8	-179.1	0	0	0	0	0	113.8	D658 P705 M706 G710 E711	D658-G708 WeakPolarHBondContact OD2-CA 3.2Å; P705-G708 PolarHBondContact O-N 3Å; M706-G708 PolarHBondContact O-N 2.65Å; M706-G708 VanDerWaalsContact O-N 3.14Å; G708-G710 PolarHBondContact O-N 2.96Å; G708-E711 PolarHBondContact O-N 2.82Å
709	F	82.2	Confident	68.3	Low	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-69.7	-19.5	-175.4	-79.9	-94.9	0	0	0	113.9	I654 D658 W659 N662 L695 V704 E711 L712	I654-F709 HydrophobicContact CG2-CE2 3.99Å; I654-F709 HydrophobicContact CG2-CZ 3.92Å; D658-F709 PolarHBondContact OD2-N 3.38Å; W659-F709 VanDerWaalsContact CA-CD2 3.43Å; W659-F709 VanDerWaalsContact CA-CG 3.45Å; W659-F709 HydrophobicContact CB-CD1 3.96Å; W659-F709 HydrophobicContact CB-CD2 3.62Å; W659-F709 HydrophobicContact CB-CE1 3.87Å; W659-F709 HydrophobicContact CB-CE2 3.49Å; W659-F709 VanDerWaalsContact CB-CE2 3.49Å; W659-F709 HydrophobicContact CB-CG 3.86Å; W659-F709 HydrophobicContact CB-CZ 3.64Å; W659-F709 AromaticContact CD1-CD1 3.23Å; W659-F709 AromaticContact CD1-CE1 3.21Å; W659-F709 AromaticContact CD1-CG 3.93Å; W659-F709 AromaticContact CD1-CZ 3.86Å; W659-F709 HydrophobicContact CD2-CD1 4.24Å; W659-F709 AromaticContact CD2-CE1 3.45Å; W659-F709 HydrophobicContact CD2-CE1 3.45Å; W659-F709 VanDerWaalsContact CD2-CE1 3.45Å; W659-F709 HydrophobicContact CD2-CE2 4.23Å; W659-F709 AromaticContact CD2-CZ 3.44Å; W659-F709 HydrophobicContact CD2-CZ 3.44Å; W659-F709 VanDerWaalsContact CD2-CZ 3.44Å; W659-F709 AromaticContact CE2-CE1 3.56Å; W659-F709 AromaticContact CE2-CZ 3.99Å; W659-F709 HydrophobicContact CE3-CE1 4.23Å; W659-F709 AromaticContact CE3-CZ 3.79Å; W659-F709 HydrophobicContact CE3-CZ 3.79Å; W659-F709 AromaticContact CG-CD1 3.56Å; W659-F709 HydrophobicContact CG-CD1 3.56Å; W659-F709 HydrophobicContact CG-CD2 4.1Å; W659-F709 AromaticContact CG-CE1 3.25Å; W659-F709 HydrophobicContact CG-CE1 3.25Å; W659-F709 AromaticContact CG-CE2 3.81Å; W659-F709 HydrophobicContact CG-CE2 3.81Å; W659-F709 HydrophobicContact CG-CG 4Å; W659-F709 AromaticContact CG-CZ 3.38Å; W659-F709 HydrophobicContact CG-CZ 3.38Å; W659-F709 HydrophobicContact CZ2-CE1 4.38Å; W659-F709 AromaticContact NE1-CD1 3.79Å; W659-F709 AromaticContact NE1-CE1 3.43Å; N662-F709 HydrophobicContact CB-CB 3.73Å; L695-F709 HydrophobicContact CD1-CE1 3.56Å; L695-F709 HydrophobicContact CD1-CZ 4.05Å; L695-F709 HydrophobicContact CD2-CE1 4.42Å; L695-F709 HydrophobicContact CD2-CZ 4.18Å; V704-F709 HydrophobicContact CB-CE2 4.24Å; V704-F709 HydrophobicContact CG1-CD2 3.64Å; V704-F709 HydrophobicContact CG1-CE2 3.65Å; V704-F709 HydrophobicContact CG1-CG 4.22Å; V704-F709 HydrophobicContact CG1-CZ 4.22Å; V704-F709 HydrophobicContact CG2-CD2 4.31Å; V704-F709 HydrophobicContact CG2-CE1 4.4Å; V704-F709 HydrophobicContact CG2-CE2 3.46Å; V704-F709 VanDerWaalsContact CG2-CE2 3.46Å; V704-F709 HydrophobicContact CG2-CZ 3.5Å; F709-E711 PolarHBondContact O-N 2.89Å; F709-L712 HydrophobicContact CB-CD1 4.45Å; F709-L712 HydrophobicContact CD1-CD1 3.55Å; F709-L712 HydrophobicContact CD1-CG 4.13Å; F709-L712 HydrophobicContact CE1-CD1 4.26Å; F709-L712 HydrophobicContact CG-CD1 4.43Å; F709-L712 WeakPolarHBondContact O-CG 3.32Å; F709-L712 PolarHBondContact O-N 3.48Å
710	G	79.3	Confident	69.1	Low	25 Å²	25	35.4 Å²	35.4	26%	0.258	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-62.6	-25.3	175.6	0	0	0	0	0	113.5	N662 G708	N662-G710 VanDerWaalsContact CG-CA 3.45Å; N662-G710 VanDerWaalsContact OD1-CA 3.3Å; N662-G710 WeakPolarHBondContact OD1-CA 3.25Å; G708-G710 PolarHBondContact O-N 2.96Å
711	E	74.8	Confident	70.4	Confident	47 Å²	47	35.1 Å²	35.1	22%	0.22	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-108.2	24.7	-178.8	-61	-78.7	177.8	0	0	111.8	K392 N707 G708 F709 Y713 L718	K392-E711 IonicContact NZ-OE1 3.84Å; K392-E711 PolarHBondContact NZ-OE1 2.93Å; N707-E711 HydrophobicContact CB-CB 4.12Å; N707-E711 HydrophobicContact CB-CG 3.6Å; G708-E711 PolarHBondContact O-N 2.82Å; F709-E711 PolarHBondContact O-N 2.89Å; E711-Y713 WeakPolarHBondContact O-CD2 3.35Å; E711-Y713 PolarHBondContact O-N 3.33Å; E711-L718 HydrophobicContact CB-CD2 4.29Å; E711-L718 VanDerWaalsContact OE2-CD2 3.31Å; E711-L718 WeakPolarHBondContact OE2-CD2 3.26Å
712	L	71.7	Confident	71.8	Confident	5 Å²	5	34 Å²	34	3%	0.026	19%	0.186	C	C	.	.			trans	-59	133.8	172.3	-84.2	176.7	0	0	0	111	P705 F709 L718 Q719 F721	P705-L712 HydrophobicContact CG-CD2 4.21Å; F709-L712 HydrophobicContact CB-CD1 4.45Å; F709-L712 HydrophobicContact CD1-CD1 3.55Å; F709-L712 HydrophobicContact CD1-CG 4.13Å; F709-L712 HydrophobicContact CE1-CD1 4.26Å; F709-L712 HydrophobicContact CG-CD1 4.43Å; F709-L712 WeakPolarHBondContact O-CG 3.32Å; F709-L712 PolarHBondContact O-N 3.48Å; L712-L718 CarbonylContact O-C 3.58Å; L712-L718 WeakPolarHBondContact O-CA 3.45Å; L712-Q719 WeakPolarHBondContact CB-O 3.36Å; L712-Q719 CarbonylContact O-C 3.53Å; L712-Q719 PolarHBondContact O-N 3.34Å; L712-F721 HydrophobicContact CD1-CB 3.8Å
713	Y	66.4	Low	73.5	Confident	73 Å²	73	33.4 Å²	33.4	29%	0.286	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.7	174.9	-91.4	-103.3	0	0	0	110.8	E711 G717 L718 N740	E711-Y713 WeakPolarHBondContact O-CD2 3.35Å; E711-Y713 PolarHBondContact O-N 3.33Å; Y713-G717 CarbonylContact C-O 3.54Å; Y713-G717 WeakPolarHBondContact CA-O 3.48Å; Y713-L718 HydrophobicContact CD2-CD2 3.77Å; Y713-L718 HydrophobicContact CE2-CD2 3.41Å; Y713-L718 VanDerWaalsContact CE2-CD2 3.41Å; Y713-L718 HydrophobicContact CE2-CG 4.01Å; Y713-N740 VanDerWaalsContact C-ND2 3.32Å; Y713-N740 PolarHBondContact O-ND2 2.77Å
714	G	63.6	Low	74.9	Confident	3 Å²	3	35.2 Å²	35.2	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-157.4	164.5	0	0	0	0	0	110.7	N716 G717 C738	G714-N716 VanDerWaalsContact C-N 3.35Å; G714-N716 PolarHBondContact O-N 3.21Å; G714-G717 PolarHBondContact N-O 2.9Å; G714-C738 WeakPolarHBondContact CA-O 3.18Å
715	S	58.5	Low	76	Confident	34 Å²	34	39.6 Å²	39.6	24%	0.238	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-36	179.9	75.1	0	0	0	0	114.3	Y456 C738	Y456-S715 WeakPolarHBondContact O-CB 3.44Å; S715-C738 PolarHBondContact N-O 3.47Å
716	N	61.4	Low	76.9	Confident	153 Å²	153	42.5 Å²	42.5	82%	0.818	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	23.7	-168.7	-62.8	-4.8	0	0	0	112	G714	G714-N716 VanDerWaalsContact C-N 3.35Å; G714-N716 PolarHBondContact O-N 3.21Å
717	G	66	Low	78	Confident	22 Å²	22	44.5 Å²	44.5	23%	0.227	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-149.1	-176.6	0	0	0	0	0	112.5	Y713 G714 Q719	Y713-G717 CarbonylContact C-O 3.54Å; Y713-G717 WeakPolarHBondContact CA-O 3.48Å; G714-G717 PolarHBondContact N-O 2.9Å; G717-Q719 PolarHBondContact O-N 2.85Å
718	L	70.8	Confident	79	Confident	100 Å²	100	46.7 Å²	46.7	52%	0.524	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	119.8	-178.1	-71.8	168.4	0	0	0	111.2	E711 L712 Y713	E711-L718 HydrophobicContact CB-CD2 4.29Å; E711-L718 VanDerWaalsContact OE2-CD2 3.31Å; E711-L718 WeakPolarHBondContact OE2-CD2 3.26Å; L712-L718 CarbonylContact O-C 3.58Å; L712-L718 WeakPolarHBondContact O-CA 3.45Å; Y713-L718 HydrophobicContact CD2-CD2 3.77Å; Y713-L718 HydrophobicContact CE2-CD2 3.41Å; Y713-L718 VanDerWaalsContact CE2-CD2 3.41Å; Y713-L718 HydrophobicContact CE2-CG 4.01Å
719	Q	76.6	Confident	79.6	Confident	57 Å²	57	49 Å²	49	27%	0.266	26%	0.262	S	S	.	.			trans	-144.5	108.3	-177.3	-178.4	62.7	49.7	0	0	109.3	L712 G717 F739 N740	L712-Q719 WeakPolarHBondContact CB-O 3.36Å; L712-Q719 CarbonylContact O-C 3.53Å; L712-Q719 PolarHBondContact O-N 3.34Å; G717-Q719 PolarHBondContact O-N 2.85Å; Q719-F739 WeakPolarHBondContact CG-O 3.1Å; Q719-N740 PolarHBondContact O-ND2 3.16Å
720	K	87.1	Confident	79.8	Confident	83 Å²	83	54 Å²	54	36%	0.361	29%	0.289	S	S	.	.			trans	-64.6	150.4	178.5	-66.4	-170	174.2	-156.3	0	111.7	N662 M664 T722	N662-K720 PolarHBondContact OD1-NZ 3.39Å; M664-K720 HydrophobicContact CE-CB 4.13Å; M664-K720 HydrophobicContact CG-CB 4.1Å; M664-K720 HydrophobicContact CG-CD 4.23Å; M664-K720 HydrophobicContact SD-CB 4.45Å; K720-T722 PolarHBondContact O-N 2.88Å; K720-T722 PolarHBondContact O-OG1 2.92Å; K720-T722 VanDerWaalsContact O-OG1 3.06Å
721	F	90.5	Very high	80.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.			trans	-54.1	130.9	169.4	-168.5	-91	0	0	0	109.9	W659 T663 M664 F679 V698 T699 L712 I723 N740 L742	W659-F721 AromaticContact CE2-CE2 3.83Å; W659-F721 AromaticContact CE2-CZ 3.99Å; W659-F721 HydrophobicContact CZ2-CD2 4.15Å; W659-F721 HydrophobicContact CZ2-CE1 4.44Å; W659-F721 AromaticContact CZ2-CE2 3.52Å; W659-F721 HydrophobicContact CZ2-CE2 3.52Å; W659-F721 AromaticContact CZ2-CZ 3.71Å; W659-F721 HydrophobicContact CZ2-CZ 3.71Å; W659-F721 AromaticContact NE1-CD1 3.45Å; W659-F721 AromaticContact NE1-CD2 3.3Å; W659-F721 VanDerWaalsContact NE1-CD2 3.3Å; W659-F721 AromaticContact NE1-CE1 3.67Å; W659-F721 AromaticContact NE1-CE2 3.5Å; W659-F721 AromaticContact NE1-CG 3.26Å; W659-F721 VanDerWaalsContact NE1-CG 3.26Å; W659-F721 AromaticContact NE1-CZ 3.7Å; T663-F721 CarbonylContact C-O 3.57Å; T663-F721 WeakPolarHBondContact CA-O 3.34Å; T663-F721 HydrophobicContact CG2-CD1 3.77Å; T663-F721 HydrophobicContact CG2-CE1 4.46Å; T663-F721 WeakPolarHBondContact OG1-CD1 3.28Å; M664-F721 PolarHBondContact N-O 3.17Å; F679-F721 HydrophobicContact CZ-CE1 4.47Å; F679-F721 HydrophobicContact CZ-CZ 4.48Å; V698-F721 HydrophobicContact CB-CE2 3.56Å; V698-F721 HydrophobicContact CB-CZ 4.08Å; V698-F721 HydrophobicContact CG1-CD2 3.93Å; V698-F721 HydrophobicContact CG1-CE2 3.23Å; V698-F721 HydrophobicContact CG1-CZ 3.68Å; V698-F721 HydrophobicContact CG2-CE2 4.04Å; V698-F721 HydrophobicContact CG2-CZ 4.06Å; T699-F721 HydrophobicContact CG2-CD2 4.03Å; T699-F721 HydrophobicContact CG2-CE2 4.31Å; L712-F721 HydrophobicContact CD1-CB 3.8Å; F721-I723 HydrophobicContact CD1-CG1 4.13Å; F721-I723 HydrophobicContact CE1-CD1 3.98Å; F721-I723 HydrophobicContact CE1-CG1 3.6Å; F721-N740 CarbonylContact C-O 3.56Å; F721-N740 WeakPolarHBondContact CA-O 3.43Å; F721-L742 HydrophobicContact CZ-CB 4.4Å
722	T	93.3	Very high	80.9	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131	-174.3	-57.3	0	0	0	0	110.5	M664 K666 K720 N740 R741 L742	M664-T722 HydrophobicContact CB-CG2 4.32Å; M664-T722 WeakPolarHBondContact CE-OG1 3.25Å; M664-T722 CarbonylContact O-C 3.54Å; M664-T722 VanDerWaalsContact O-CA 3.29Å; M664-T722 WeakPolarHBondContact O-CA 3.4Å; K666-T722 HydrophobicContact CD-CG2 3.93Å; K666-T722 HydrophobicContact CG-CG2 4.04Å; K720-T722 PolarHBondContact O-N 2.88Å; K720-T722 PolarHBondContact O-OG1 2.92Å; K720-T722 VanDerWaalsContact O-OG1 3.06Å; T722-N740 PolarHBondContact N-O 3.42Å; T722-R741 HydrophobicContact CG2-CG 4.18Å; T722-R741 CarbonylContact O-C 3.4Å; T722-R741 VanDerWaalsContact O-CA 3.24Å; T722-R741 WeakPolarHBondContact O-CA 3.16Å; T722-L742 PolarHBondContact O-N 2.88Å
723	I	96.9	Very high	81.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.6	170.9	-52.4	179.9	0	0	0	108.7	T663 M664 Y665 K666 Y669 I676 F679 W680 F721 L742 L744	T663-I723 HydrophobicContact CG2-CD1 4.16Å; T663-I723 HydrophobicContact CG2-CG1 3.98Å; M664-I723 PolarHBondContact O-N 2.79Å; Y665-I723 CarbonylContact C-O 3.57Å; Y665-I723 WeakPolarHBondContact CA-O 3.41Å; Y665-I723 HydrophobicContact CD1-CB 4.17Å; Y665-I723 HydrophobicContact CE1-CD1 4.13Å; K666-I723 PolarHBondContact N-O 3.14Å; Y669-I723 HydrophobicContact CD2-CG2 4.11Å; Y669-I723 HydrophobicContact CE2-CG2 4.38Å; I676-I723 HydrophobicContact CD1-CB 4.15Å; I676-I723 HydrophobicContact CD1-CD1 4.21Å; I676-I723 HydrophobicContact CD1-CG2 3.67Å; F679-I723 HydrophobicContact CD1-CD1 3.54Å; F679-I723 HydrophobicContact CE1-CD1 3.44Å; F679-I723 VanDerWaalsContact CE1-CD1 3.44Å; F679-I723 HydrophobicContact CG-CD1 4.16Å; F679-I723 HydrophobicContact CZ-CD1 3.97Å; W680-I723 HydrophobicContact CZ2-CD1 4.44Å; F721-I723 HydrophobicContact CD1-CG1 4.13Å; F721-I723 HydrophobicContact CE1-CD1 3.98Å; F721-I723 HydrophobicContact CE1-CG1 3.6Å; I723-L742 WeakPolarHBondContact CA-O 3.46Å; I723-L744 HydrophobicContact CG2-CB 3.69Å; I723-L744 HydrophobicContact CG2-CD2 3.85Å; I723-L744 HydrophobicContact CG2-CG 4.44Å
724	E	95.4	Very high	82.8	Confident	48 Å²	48	55.8 Å²	55.8	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.2	-178.7	-173.7	158.9	-164.3	0	0	110.5	K666 W726 R741 L742 D743 L744	K666-E724 HydrophobicContact CB-CB 4.03Å; K666-E724 HydrophobicContact CB-CG 3.82Å; E724-W726 PolarHBondContact O-N 2.66Å; E724-R741 HydrophobicContact CB-CG 4.35Å; E724-R741 VanDerWaalsContact OE2-CD 3.23Å; E724-R741 WeakPolarHBondContact OE2-CD 3.31Å; E724-R741 IonicContact OE2-CZ 3.14Å; E724-R741 IonicContact OE2-NE 2.81Å; E724-R741 IonicContact OE2-NH1 3.82Å; E724-R741 PolarHBondContact OE2-NH1 2.7Å; E724-L742 PolarHBondContact N-O 3.2Å; E724-D743 WeakPolarHBondContact O-CA 3.32Å; E724-L744 PolarHBondContact O-N 2.74Å
725	K	93.4	Very high	83.7	Confident	96 Å²	96	56.8 Å²	56.8	42%	0.417	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.9	174.9	-176.9	178.8	175.5	-179.5	0	109.9	K666 G667 Y669	K666-K725 PolarHBondContact O-N 3.16Å; G667-K725 VanDerWaalsContact O-CB 3.27Å; G667-K725 WeakPolarHBondContact O-CB 3.41Å; Y669-K725 HydrophobicContact CD1-CB 4.01Å; Y669-K725 HydrophobicContact CD1-CD 4.4Å; Y669-K725 HydrophobicContact CD1-CG 4.43Å; Y669-K725 HydrophobicContact CD2-CB 3.86Å; Y669-K725 HydrophobicContact CE1-CB 3.8Å; Y669-K725 HydrophobicContact CE1-CD 3.92Å; Y669-K725 HydrophobicContact CE1-CG 3.81Å; Y669-K725 HydrophobicContact CE2-CB 3.65Å; Y669-K725 HydrophobicContact CE2-CG 4.21Å; Y669-K725 HydrophobicContact CG-CB 4.04Å
726	W	85.1	Confident	84.6	Confident	91 Å²	91	58 Å²	58	35%	0.345	30%	0.304	S	S	.	.			trans	-131.3	130.7	-177.9	168.4	-108.3	0	0	0	112.6	E724 D743 L744 P745	E724-W726 PolarHBondContact O-N 2.66Å; W726-D743 HydrophobicContact CB-CB 3.66Å; W726-D743 HydrophobicContact CG-CB 3.93Å; W726-L744 PolarHBondContact N-O 3.48Å; W726-P745 VanDerWaalsContact O-CA 3.23Å; W726-P745 WeakPolarHBondContact O-CA 3.28Å
727	S	85.5	Confident	84.8	Confident	62 Å²	62	52.4 Å²	52.4	43%	0.434	28%	0.276	S	S	.	.	S	Bend	trans	48	-151	169.5	-158.8	0	0	0	0	114.8	P746	S727-P746 WeakPolarHBondContact O-CD 3.29Å
728	T	86.9	Confident	84.7	Confident	80 Å²	80	52 Å²	52	49%	0.491	27%	0.269	S	S	.	.			trans	-99.2	161.3	178.3	40.9	0	0	0	0	111.7	D730 M731 P745	T728-D730 VanDerWaalsContact C-OD1 3.27Å; T728-D730 WeakPolarHBondContact CB-OD1 3.47Å; T728-D730 PolarHBondContact O-N 3.2Å; T728-D730 VanDerWaalsContact O-N 3.14Å; T728-D730 PolarHBondContact OG1-OD1 3.22Å; T728-M731 PolarHBondContact O-N 3.39Å; T728-P745 WeakPolarHBondContact O-CB 3.47Å
729	S	85.8	Confident	84.9	Confident	47 Å²	47	50.7 Å²	50.7	33%	0.329	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.8	-172.2	56.2	0	0	0	0	114.5	Y747 K756	S729-Y747 VanDerWaalsContact O-CD1 3.3Å; S729-Y747 WeakPolarHBondContact O-CD1 3.24Å; S729-Y747 WeakPolarHBondContact O-CE1 3.37Å; S729-K756 PolarHBondContact O-NZ 3.08Å
730	D	86.4	Confident	85.1	Confident	107 Å²	107	48 Å²	48	57%	0.572	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.3	175.8	58.4	-36	0	0	0	113.4	T728	T728-D730 VanDerWaalsContact C-OD1 3.27Å; T728-D730 WeakPolarHBondContact CB-OD1 3.47Å; T728-D730 PolarHBondContact O-N 3.2Å; T728-D730 VanDerWaalsContact O-N 3.14Å; T728-D730 PolarHBondContact OG1-OD1 3.22Å
731	M	88.3	Confident	85.1	Confident	66 Å²	66	47 Å²	47	33%	0.325	24%	0.241	S	C	.	.	S	Bend	trans	-73.4	154	-179.5	-62	-61	-73.8	0	0	112.2	T728 P745 Y747	T728-M731 PolarHBondContact O-N 3.39Å; M731-P745 HydrophobicContact CB-CG 4.25Å; M731-Y747 WeakPolarHBondContact O-CE1 3.3Å; M731-Y747 PolarHBondContact O-OH 2.74Å
732	L	89.9	Confident	85.3	Confident	79 Å²	79	47 Å²	47	41%	0.414	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-78.4	155.1	168.4	-69.6	176.5	0	0	0	111.1	K756 T759	L732-K756 HydrophobicContact CD2-CB 3.88Å; L732-K756 HydrophobicContact CD2-CD 4.48Å; L732-K756 HydrophobicContact CD2-CG 3.93Å; L732-T759 HydrophobicContact CD1-CG2 4.43Å; L732-T759 HydrophobicContact CD2-CG2 4.4Å
733	P	91.1	Very high	85.3	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.2	148	171.2	-13.7	29.9	0	0	0	110.5	L742 D743 L744 Y747 K756 L757 A760	P733-L742 HydrophobicContact CB-CD1 3.94Å; P733-D743 WeakPolarHBondContact CA-O 3.42Å; P733-L744 HydrophobicContact CB-CD1 4.39Å; P733-L744 HydrophobicContact CG-CD1 4.31Å; P733-Y747 WeakPolarHBondContact CD-OH 3.3Å; P733-Y747 HydrophobicContact CG-CE2 4.09Å; P733-Y747 VanDerWaalsContact CG-OH 3.29Å; P733-Y747 WeakPolarHBondContact CG-OH 3.2Å; P733-K756 WeakPolarHBondContact CD-O 3.42Å; P733-L757 HydrophobicContact CB-CD1 4.38Å; P733-L757 HydrophobicContact CG-CD1 4.12Å; P733-A760 HydrophobicContact CG-CB 4.37Å
734	R	86.5	Confident	85.2	Confident	41 Å²	41	47 Å²	47	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.5	177.5	-168.4	-179.7	-59.1	174.4	3	110.2	D743 V770	R734-D743 HydrophobicContact CB-CB 4.25Å; R734-D743 PolarHBondContact N-O 3.29Å; R734-D743 WeakPolarHBondContact O-CB 3.34Å; R734-D743 PolarHBondContact O-N 2.91Å; R734-V770 PolarHBondContact NH1-O 2.92Å; R734-V770 VanDerWaalsContact NH2-CB 3.34Å
735	A	82.1	Confident	85.2	Confident	24 Å²	24	44.7 Å²	44.7	20%	0.198	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.5	176.7	0	0	0	0	0	111.7	F697 R741	F697-A735 HydrophobicContact CD1-CB 4.19Å; F697-A735 HydrophobicContact CD2-CB 4.22Å; F697-A735 HydrophobicContact CE1-CB 3.99Å; F697-A735 HydrophobicContact CE2-CB 4.03Å; F697-A735 HydrophobicContact CG-CB 4.31Å; F697-A735 HydrophobicContact CZ-CB 3.92Å; F697-A735 WeakPolarHBondContact O-CB 3.45Å; A735-R741 CarbonylContact C-O 3.6Å; A735-R741 WeakPolarHBondContact CA-O 3.14Å
736	H	78	Confident	85.2	Confident	59 Å²	59	41.9 Å²	41.9	27%	0.273	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	85.3	165.3	-60	-94.8	0	0	0	107.9	C738 F739 N740 R741 D743	H736-C738 PolarHBondContact O-N 2.9Å; H736-C738 VanDerWaalsContact O-N 3.12Å; H736-F739 HydrophobicContact CB-CD2 4.25Å; H736-F739 PolarHBondContact O-N 3.08Å; H736-N740 PolarHBondContact O-N 3.04Å; H736-R741 HydrophobicContact CB-CB 4.29Å; H736-R741 PolarHBondContact CD2-NH2 3.03Å; H736-R741 PolarHBondContact N-O 2.78Å; H736-R741 PolarHBondContact NE2-NH2 3.29Å; H736-R741 PolarHBondContact O-N 3.37Å; H736-D743 IonicContact CD2-OD1 2.64Å; H736-D743 IonicContact CD2-OD2 3.72Å; H736-D743 PolarHBondContact CD2-OD2 3.06Å; H736-D743 IonicContact CE1-OD2 2.66Å; H736-D743 IonicContact NE2-OD2 3.22Å; H736-D743 PolarHBondContact NE2-OD2 2.89Å
737	T	65.4	Low	85.7	Confident	36 Å²	36	37.9 Å²	37.9	22%	0.221	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-52.9	-38.1	-174.3	54.1	0	0	0	0	112.2	G458 R461 F697 V698 F739 N740	G458-T737 WeakPolarHBondContact CA-OG1 3.25Å; R461-T737 VanDerWaalsContact CZ-O 3.3Å; R461-T737 PolarHBondContact NH1-O 2.69Å; R461-T737 PolarHBondContact NH2-O 3.46Å; F697-T737 WeakPolarHBondContact O-CG2 3.43Å; V698-T737 VanDerWaalsContact O-CA 3.3Å; V698-T737 WeakPolarHBondContact O-CA 3.39Å; T737-F739 PolarHBondContact O-N 3.02Å; T737-N740 PolarHBondContact O-N 3.47Å; T737-N740 VanDerWaalsContact O-N 3.08Å; T737-N740 PolarHBondContact O-OD1 3.48Å; T737-N740 VanDerWaalsContact O-OD1 3.08Å
738	C	64	Low	85.8	Confident	12 Å²	12	39.3 Å²	39.3	8%	0.081	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-50.5	-38.5	176.4	-56.6	0	0	0	0	114.4	Y456 G458 G714 S715 H736	Y456-C738 WeakPolarHBondContact CB-SG 3.37Å; Y456-C738 HydrophobicContact CG-CB 4.46Å; Y456-C738 WeakPolarHBondContact O-CA 3.38Å; Y456-C738 WeakPolarHBondContact O-CB 3.37Å; Y456-C738 PolarHBondContact O-SG 3.17Å; G458-C738 PolarHBondContact N-SG 2.72Å; G714-C738 WeakPolarHBondContact CA-O 3.18Å; S715-C738 PolarHBondContact N-O 3.47Å; H736-C738 PolarHBondContact O-N 2.9Å; H736-C738 VanDerWaalsContact O-N 3.12Å
739	F	75.6	Confident	86	Confident	74 Å²	74	37.9 Å²	37.9	33%	0.325	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-108.7	6.7	-178.9	-56.6	-71.1	0	0	0	113.3	Y456 Q719 H736 T737 R741	Y456-F739 HydrophobicContact CD1-CZ 4.32Å; Q719-F739 WeakPolarHBondContact CG-O 3.1Å; H736-F739 HydrophobicContact CB-CD2 4.25Å; H736-F739 PolarHBondContact O-N 3.08Å; T737-F739 PolarHBondContact O-N 3.02Å; F739-R741 HydrophobicContact CB-CB 4.17Å; F739-R741 PolarHBondContact O-N 3.34Å
740	N	79.6	Confident	86.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.2	-172	-57.7	-30.9	0	0	0	111.2	R461 T699 Y713 Q719 F721 T722 H736 T737	R461-N740 PolarHBondContact NH1-OD1 2.94Å; T699-N740 HydrophobicContact CG2-CB 4.05Å; Y713-N740 VanDerWaalsContact C-ND2 3.32Å; Y713-N740 PolarHBondContact O-ND2 2.77Å; Q719-N740 PolarHBondContact O-ND2 3.16Å; F721-N740 CarbonylContact C-O 3.56Å; F721-N740 WeakPolarHBondContact CA-O 3.43Å; T722-N740 PolarHBondContact N-O 3.42Å; H736-N740 PolarHBondContact O-N 3.04Å; T737-N740 PolarHBondContact O-N 3.47Å; T737-N740 VanDerWaalsContact O-N 3.08Å; T737-N740 PolarHBondContact O-OD1 3.48Å; T737-N740 VanDerWaalsContact O-OD1 3.08Å
741	R	88.5	Confident	86.5	Confident	61 Å²	61	36.8 Å²	36.8	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.1	-171.6	-172.7	-177.4	84.4	-179.3	-1.7	111.8	T722 E724 A735 H736 F739 D743	T722-R741 HydrophobicContact CG2-CG 4.18Å; T722-R741 CarbonylContact O-C 3.4Å; T722-R741 VanDerWaalsContact O-CA 3.24Å; T722-R741 WeakPolarHBondContact O-CA 3.16Å; E724-R741 HydrophobicContact CB-CG 4.35Å; E724-R741 VanDerWaalsContact OE2-CD 3.23Å; E724-R741 WeakPolarHBondContact OE2-CD 3.31Å; E724-R741 IonicContact OE2-CZ 3.14Å; E724-R741 IonicContact OE2-NE 2.81Å; E724-R741 IonicContact OE2-NH1 3.82Å; E724-R741 PolarHBondContact OE2-NH1 2.7Å; A735-R741 CarbonylContact C-O 3.6Å; A735-R741 WeakPolarHBondContact CA-O 3.14Å; H736-R741 HydrophobicContact CB-CB 4.29Å; H736-R741 PolarHBondContact CD2-NH2 3.03Å; H736-R741 PolarHBondContact N-O 2.78Å; H736-R741 PolarHBondContact NE2-NH2 3.29Å; H736-R741 PolarHBondContact O-N 3.37Å; F739-R741 HydrophobicContact CB-CB 4.17Å; F739-R741 PolarHBondContact O-N 3.34Å; R741-D743 IonicContact CZ-OD1 3.01Å; R741-D743 IonicContact CZ-OD2 3.8Å; R741-D743 IonicContact NE-OD1 3.84Å; R741-D743 PolarHBondContact NE-OD1 3.44Å; R741-D743 IonicContact NE-OD2 2.81Å; R741-D743 IonicContact NH2-OD1 3.2Å; R741-D743 PolarHBondContact NH2-OD1 2.87Å; R741-D743 IonicContact NH2-OD2 3.74Å; R741-D743 PolarHBondContact NH2-OD2 3.11Å
742	L	93.2	Very high	86.7	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.1	169.1	178.1	65.9	0	0	0	109.5	F679 F697 V698 F721 T722 I723 E724 P733 L744	F679-L742 HydrophobicContact CD2-CD2 4.21Å; F679-L742 HydrophobicContact CE2-CD2 3.47Å; F679-L742 VanDerWaalsContact CE2-CD2 3.47Å; F679-L742 HydrophobicContact CZ-CD2 3.95Å; F697-L742 HydrophobicContact CD1-CD1 4.42Å; F697-L742 HydrophobicContact CE1-CD1 3.87Å; V698-L742 HydrophobicContact CG1-CB 3.98Å; V698-L742 HydrophobicContact CG2-CB 3.96Å; V698-L742 HydrophobicContact CG2-CD1 3.96Å; V698-L742 HydrophobicContact CG2-CD2 4.46Å; V698-L742 HydrophobicContact CG2-CG 4.34Å; F721-L742 HydrophobicContact CZ-CB 4.4Å; T722-L742 PolarHBondContact O-N 2.88Å; I723-L742 WeakPolarHBondContact CA-O 3.46Å; E724-L742 PolarHBondContact N-O 3.2Å; P733-L742 HydrophobicContact CB-CD1 3.94Å; L742-L744 HydrophobicContact CD2-CB 4.43Å; L742-L744 HydrophobicContact CD2-CD1 4.46Å; L742-L744 HydrophobicContact CG-CB 4.28Å; L742-L744 PolarHBondContact O-N 2.9Å
743	D	93.7	Very high	86.9	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	103.9	168.9	-73.1	1.9	0	0	0	107.2	E724 W726 P733 R734 H736 R741 P745	E724-D743 WeakPolarHBondContact O-CA 3.32Å; W726-D743 HydrophobicContact CB-CB 3.66Å; W726-D743 HydrophobicContact CG-CB 3.93Å; P733-D743 WeakPolarHBondContact CA-O 3.42Å; R734-D743 HydrophobicContact CB-CB 4.25Å; R734-D743 PolarHBondContact N-O 3.29Å; R734-D743 WeakPolarHBondContact O-CB 3.34Å; R734-D743 PolarHBondContact O-N 2.91Å; H736-D743 IonicContact CD2-OD1 2.64Å; H736-D743 IonicContact CD2-OD2 3.72Å; H736-D743 PolarHBondContact CD2-OD2 3.06Å; H736-D743 IonicContact CE1-OD2 2.66Å; H736-D743 IonicContact NE2-OD2 3.22Å; H736-D743 PolarHBondContact NE2-OD2 2.89Å; R741-D743 IonicContact CZ-OD1 3.01Å; R741-D743 IonicContact CZ-OD2 3.8Å; R741-D743 IonicContact NE-OD1 3.84Å; R741-D743 PolarHBondContact NE-OD1 3.44Å; R741-D743 IonicContact NE-OD2 2.81Å; R741-D743 IonicContact NH2-OD1 3.2Å; R741-D743 PolarHBondContact NH2-OD1 2.87Å; R741-D743 IonicContact NH2-OD2 3.74Å; R741-D743 PolarHBondContact NH2-OD2 3.11Å; D743-P745 WeakPolarHBondContact O-CD 3.45Å
744	L	95.7	Very high	86.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.6	-171.7	-176.3	67	0	0	0	110.5	Y669 V675 I676 F679 I723 E724 W726 P733 L742 Y747 L753	Y669-L744 HydrophobicContact CE2-CB 4.13Å; Y669-L744 HydrophobicContact CE2-CD2 4.49Å; Y669-L744 HydrophobicContact CE2-CG 4.49Å; Y669-L744 WeakPolarHBondContact CE2-O 3.29Å; Y669-L744 PolarHBondContact OH-O 3.34Å; V675-L744 HydrophobicContact CG1-CD2 3.84Å; V675-L744 HydrophobicContact CG1-CG 4.23Å; I676-L744 HydrophobicContact CD1-CD2 4.43Å; F679-L744 HydrophobicContact CB-CD2 4.09Å; F679-L744 HydrophobicContact CD2-CD2 4.05Å; F679-L744 HydrophobicContact CG-CD2 4.25Å; I723-L744 HydrophobicContact CG2-CB 3.69Å; I723-L744 HydrophobicContact CG2-CD2 3.85Å; I723-L744 HydrophobicContact CG2-CG 4.44Å; E724-L744 PolarHBondContact O-N 2.74Å; W726-L744 PolarHBondContact N-O 3.48Å; P733-L744 HydrophobicContact CB-CD1 4.39Å; P733-L744 HydrophobicContact CG-CD1 4.31Å; L742-L744 HydrophobicContact CD2-CB 4.43Å; L742-L744 HydrophobicContact CD2-CD1 4.46Å; L742-L744 HydrophobicContact CG-CB 4.28Å; L742-L744 PolarHBondContact O-N 2.9Å; L744-Y747 HydrophobicContact CD1-CD2 4.35Å; L744-Y747 HydrophobicContact CD1-CE2 3.9Å; L744-L753 HydrophobicContact CD2-CD1 4.48Å
745	P	95.1	Very high	86.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.			trans	-62.3	153.9	175.4	-25.5	34.7	0	0	0	114.2	Y669 W726 T728 M731 D743 Y747	Y669-P745 VanDerWaalsContact OH-C 3.28Å; Y669-P745 PolarHBondContact OH-O 3.18Å; W726-P745 VanDerWaalsContact O-CA 3.23Å; W726-P745 WeakPolarHBondContact O-CA 3.28Å; T728-P745 WeakPolarHBondContact O-CB 3.47Å; M731-P745 HydrophobicContact CB-CG 4.25Å; D743-P745 WeakPolarHBondContact O-CD 3.45Å; P745-Y747 HydrophobicContact CB-CD1 4.27Å; P745-Y747 HydrophobicContact CB-CE1 3.67Å; P745-Y747 HydrophobicContact CB-CE2 4.29Å; P745-Y747 WeakPolarHBondContact CD-OH 3.43Å; P745-Y747 HydrophobicContact CG-CE1 4.14Å; P745-Y747 HydrophobicContact CG-CE2 4.48Å; P745-Y747 WeakPolarHBondContact CG-OH 3.02Å; P745-Y747 WeakPolarHBondContact O-CD2 3.35Å; P745-Y747 PolarHBondContact O-N 3.31Å
746	P	93.3	Very high	87.4	Confident	37 Å²	37	36 Å²	36	24%	0.24	19%	0.192	C	C	.	.			trans	-80.1	66.9	-176.5	33.9	-36.6	0	0	0	111.8	Y669 S727	Y669-P746 VanDerWaalsContact OH-CA 3.26Å; Y669-P746 WeakPolarHBondContact OH-CA 3.49Å; S727-P746 WeakPolarHBondContact O-CD 3.29Å
747	Y	94.2	Very high	88	Confident	6 Å²	6	33.1 Å²	33.1	2%	0.024	18%	0.179	C	C	.	.			trans	-59.6	141.7	-179.7	-56.9	-54.8	0	0	0	112.8	S729 M731 P733 L744 P745 E752 L753 K756	S729-Y747 VanDerWaalsContact O-CD1 3.3Å; S729-Y747 WeakPolarHBondContact O-CD1 3.24Å; S729-Y747 WeakPolarHBondContact O-CE1 3.37Å; M731-Y747 WeakPolarHBondContact O-CE1 3.3Å; M731-Y747 PolarHBondContact O-OH 2.74Å; P733-Y747 WeakPolarHBondContact CD-OH 3.3Å; P733-Y747 HydrophobicContact CG-CE2 4.09Å; P733-Y747 VanDerWaalsContact CG-OH 3.29Å; P733-Y747 WeakPolarHBondContact CG-OH 3.2Å; L744-Y747 HydrophobicContact CD1-CD2 4.35Å; L744-Y747 HydrophobicContact CD1-CE2 3.9Å; P745-Y747 HydrophobicContact CB-CD1 4.27Å; P745-Y747 HydrophobicContact CB-CE1 3.67Å; P745-Y747 HydrophobicContact CB-CE2 4.29Å; P745-Y747 WeakPolarHBondContact CD-OH 3.43Å; P745-Y747 HydrophobicContact CG-CE1 4.14Å; P745-Y747 HydrophobicContact CG-CE2 4.48Å; P745-Y747 WeakPolarHBondContact CG-OH 3.02Å; P745-Y747 WeakPolarHBondContact O-CD2 3.35Å; P745-Y747 PolarHBondContact O-N 3.31Å; Y747-E752 HydrophobicContact CD1-CG 3.98Å; Y747-E752 HydrophobicContact CG-CG 4.28Å; Y747-L753 HydrophobicContact CD2-CB 3.78Å; Y747-L753 HydrophobicContact CD2-CD1 4.25Å; Y747-L753 HydrophobicContact CD2-CG 3.85Å; Y747-L753 HydrophobicContact CE2-CG 4.48Å; Y747-L753 HydrophobicContact CG-CB 4.33Å; Y747-K756 HydrophobicContact CD1-CD 3.8Å; Y747-K756 HydrophobicContact CE1-CB 4.29Å; Y747-K756 HydrophobicContact CE1-CD 3.19Å; Y747-K756 HydrophobicContact CE1-CG 4.34Å; Y747-K756 HydrophobicContact CE2-CB 4.31Å
748	A	88.2	Confident	88.8	Confident	92 Å²	92	33.8 Å²	33.8	76%	0.76	18%	0.18	S	C	*	.	S	Bend	trans	-77.1	-26.3	-172.3	0	0	0	0	0	112.5	E752	A748-E752 PolarHBondContact N-OE2 3.2Å
749	S	91	Very high	89.8	Confident	51 Å²	51	35.9 Å²	35.9	36%	0.357	19%	0.193	S	C	.	.	S	Bend	trans	-135.5	160.1	-175.3	74.4	0	0	0	0	113.2	Q751 E752 L753	S749-Q751 VanDerWaalsContact C-N 3.33Å; S749-E752 VanDerWaalsContact OG-CB 3.3Å; S749-E752 WeakPolarHBondContact OG-CB 3.5Å; S749-E752 PolarHBondContact OG-N 2.95Å; S749-E752 VanDerWaalsContact OG-N 3.13Å; S749-L753 PolarHBondContact O-N 2.82Å; S749-L753 VanDerWaalsContact O-N 3.13Å
750	Y	90.8	Very high	90.2	Very high	47 Å²	47	32.5 Å²	32.5	18%	0.184	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-41.9	173.2	167.6	-98.1	0	0	0	112	N678 K681 C682 S685 L753 K754	N678-Y750 HydrophobicContact CB-CD2 4.35Å; K681-Y750 HydrophobicContact CB-CD2 4.36Å; K681-Y750 HydrophobicContact CB-CE2 4.05Å; C682-Y750 HydrophobicContact CB-CE2 3.97Å; S685-Y750 PolarHBondContact OG-OH 2.86Å; Y750-L753 PolarHBondContact O-N 3.17Å; Y750-K754 HydrophobicContact CE1-CD 4.23Å; Y750-K754 WeakPolarHBondContact O-CB 3.37Å; Y750-K754 PolarHBondContact O-N 3.18Å
751	Q	91.2	Very high	89.8	Confident	83 Å²	83	33.1 Å²	33.1	39%	0.388	18%	0.182	S	C	.	.	H	α-helix	trans	-64.7	-47.3	-178.6	-170.5	60.7	42.2	0	0	111.1	S749 L753 K754 D755	S749-Q751 VanDerWaalsContact C-N 3.33Å; Q751-L753 VanDerWaalsContact C-N 3.29Å; Q751-L753 PolarHBondContact O-N 2.82Å; Q751-K754 PolarHBondContact O-N 3.04Å; Q751-D755 VanDerWaalsContact NE2-CG 3.3Å; Q751-D755 PolarHBondContact NE2-OD1 3.17Å; Q751-D755 PolarHBondContact NE2-OD2 2.92Å; Q751-D755 WeakPolarHBondContact O-CB 2.96Å; Q751-D755 VanDerWaalsContact O-CG 3.25Å; Q751-D755 PolarHBondContact O-N 3.34Å
752	E	92.8	Very high	88.8	Confident	49 Å²	49	35.5 Å²	35.5	23%	0.229	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-42.4	176.2	-176.7	-176.6	-164.9	0	0	111.9	Y747 A748 S749 K756	Y747-E752 HydrophobicContact CD1-CG 3.98Å; Y747-E752 HydrophobicContact CG-CG 4.28Å; A748-E752 PolarHBondContact N-OE2 3.2Å; S749-E752 VanDerWaalsContact OG-CB 3.3Å; S749-E752 WeakPolarHBondContact OG-CB 3.5Å; S749-E752 PolarHBondContact OG-N 2.95Å; S749-E752 VanDerWaalsContact OG-N 3.13Å; E752-K756 HydrophobicContact CG-CD 4.04Å; E752-K756 WeakPolarHBondContact O-CB 3.47Å; E752-K756 WeakPolarHBondContact O-CG 3.41Å; E752-K756 PolarHBondContact O-N 3.41Å; E752-K756 VanDerWaalsContact O-N 3.08Å; E752-K756 IonicContact OE1-NZ 3.73Å; E752-K756 PolarHBondContact OE1-NZ 2.74Å
753	L	94.1	Very high	87.4	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-49.3	175.8	-175.5	154.8	0	0	0	111.4	V675 N678 F679 C682 L744 Y747 S749 Y750 Q751 L757	V675-L753 HydrophobicContact CG1-CD1 4.06Å; N678-L753 HydrophobicContact CB-CD1 4.1Å; F679-L753 HydrophobicContact CB-CD1 4.2Å; C682-L753 HydrophobicContact CB-CD2 3.94Å; L744-L753 HydrophobicContact CD2-CD1 4.48Å; Y747-L753 HydrophobicContact CD2-CB 3.78Å; Y747-L753 HydrophobicContact CD2-CD1 4.25Å; Y747-L753 HydrophobicContact CD2-CG 3.85Å; Y747-L753 HydrophobicContact CE2-CG 4.48Å; Y747-L753 HydrophobicContact CG-CB 4.33Å; S749-L753 PolarHBondContact O-N 2.82Å; S749-L753 VanDerWaalsContact O-N 3.13Å; Y750-L753 PolarHBondContact O-N 3.17Å; Q751-L753 VanDerWaalsContact C-N 3.29Å; Q751-L753 PolarHBondContact O-N 2.82Å; L753-L757 HydrophobicContact CD2-CD2 4.23Å; L753-L757 WeakPolarHBondContact O-CB 3.32Å; L753-L757 PolarHBondContact O-N 3.29Å
754	K	89.8	Confident	85.7	Confident	28 Å²	28	41.7 Å²	41.7	12%	0.122	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-50.6	-178.4	-177.9	174.4	-176.7	-173.4	0	110.6	E357 F686 Y750 Q751 L757 M758	E357-K754 IonicContact OE2-NZ 3.2Å; E357-K754 PolarHBondContact OE2-NZ 3.23Å; F686-K754 HydrophobicContact CE1-CG 4.48Å; Y750-K754 HydrophobicContact CE1-CD 4.23Å; Y750-K754 WeakPolarHBondContact O-CB 3.37Å; Y750-K754 PolarHBondContact O-N 3.18Å; Q751-K754 PolarHBondContact O-N 3.04Å; K754-L757 PolarHBondContact O-N 2.84Å; K754-M758 HydrophobicContact CG-CG 4.48Å; K754-M758 VanDerWaalsContact O-CG 3.26Å; K754-M758 WeakPolarHBondContact O-CG 3.22Å; K754-M758 PolarHBondContact O-N 2.9Å
755	D	89.2	Confident	83.2	Confident	74 Å²	74	45.7 Å²	45.7	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-46.9	-176.8	-64.4	-20.4	0	0	0	111.5	Q751 M758 T759	Q751-D755 VanDerWaalsContact NE2-CG 3.3Å; Q751-D755 PolarHBondContact NE2-OD1 3.17Å; Q751-D755 PolarHBondContact NE2-OD2 2.92Å; Q751-D755 WeakPolarHBondContact O-CB 2.96Å; Q751-D755 VanDerWaalsContact O-CG 3.25Å; Q751-D755 PolarHBondContact O-N 3.34Å; D755-M758 PolarHBondContact O-N 3.29Å; D755-T759 WeakPolarHBondContact O-CB 3.46Å; D755-T759 PolarHBondContact O-N 2.97Å; D755-T759 PolarHBondContact O-OG1 3.29Å
756	K	92.8	Very high	80.2	Confident	42 Å²	42	50.7 Å²	50.7	18%	0.183	30%	0.299	C	S	.	.	H	α-helix	trans	-69.4	-34	178.7	-72.3	-178	172.9	167.7	0	112.8	S729 L732 P733 Y747 E752 A760	S729-K756 PolarHBondContact O-NZ 3.08Å; L732-K756 HydrophobicContact CD2-CB 3.88Å; L732-K756 HydrophobicContact CD2-CD 4.48Å; L732-K756 HydrophobicContact CD2-CG 3.93Å; P733-K756 WeakPolarHBondContact CD-O 3.42Å; Y747-K756 HydrophobicContact CD1-CD 3.8Å; Y747-K756 HydrophobicContact CE1-CB 4.29Å; Y747-K756 HydrophobicContact CE1-CD 3.19Å; Y747-K756 HydrophobicContact CE1-CG 4.34Å; Y747-K756 HydrophobicContact CE2-CB 4.31Å; E752-K756 HydrophobicContact CG-CD 4.04Å; E752-K756 WeakPolarHBondContact O-CB 3.47Å; E752-K756 WeakPolarHBondContact O-CG 3.41Å; E752-K756 PolarHBondContact O-N 3.41Å; E752-K756 VanDerWaalsContact O-N 3.08Å; E752-K756 IonicContact OE1-NZ 3.73Å; E752-K756 PolarHBondContact OE1-NZ 2.74Å; K756-A760 WeakPolarHBondContact O-CB 3.27Å; K756-A760 PolarHBondContact O-N 3.27Å
757	L	90.4	Very high	77.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-46.2	175.3	-172.3	64	0	0	0	111.2	F679 F686 L694 P733 L753 K754 A760 I761	F679-L757 HydrophobicContact CD2-CD2 4.09Å; F679-L757 HydrophobicContact CE2-CD2 3.94Å; F686-L757 HydrophobicContact CE2-CD2 4.28Å; F686-L757 HydrophobicContact CZ-CD2 4.36Å; L694-L757 HydrophobicContact CD1-CD1 3.89Å; L694-L757 HydrophobicContact CD1-CD2 4.39Å; L694-L757 HydrophobicContact CD1-CG 4.35Å; L694-L757 HydrophobicContact CD2-CD2 4.37Å; P733-L757 HydrophobicContact CB-CD1 4.38Å; P733-L757 HydrophobicContact CG-CD1 4.12Å; L753-L757 HydrophobicContact CD2-CD2 4.23Å; L753-L757 WeakPolarHBondContact O-CB 3.32Å; L753-L757 PolarHBondContact O-N 3.29Å; K754-L757 PolarHBondContact O-N 2.84Å; L757-A760 PolarHBondContact O-N 3.2Å; L757-I761 HydrophobicContact CD1-CD1 4.47Å; L757-I761 HydrophobicContact CG-CD1 3.99Å; L757-I761 WeakPolarHBondContact O-CD1 3.4Å; L757-I761 WeakPolarHBondContact O-CG1 3.18Å; L757-I761 PolarHBondContact O-N 3.5Å
758	M	81.9	Confident	74.1	Confident	49 Å²	49	61.3 Å²	61.3	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-45.7	175.6	-64.2	-135.7	-48.8	0	0	111.3	F686 L690 K754 D755 A760 I761 E762	F686-M758 HydrophobicContact CE1-CG 4.34Å; F686-M758 HydrophobicContact CE1-SD 4.2Å; F686-M758 HydrophobicContact CZ-CG 4.15Å; L690-M758 HydrophobicContact CD2-SD 3.6Å; L690-M758 VanDerWaalsContact CD2-SD 3.6Å; K754-M758 HydrophobicContact CG-CG 4.48Å; K754-M758 VanDerWaalsContact O-CG 3.26Å; K754-M758 WeakPolarHBondContact O-CG 3.22Å; K754-M758 PolarHBondContact O-N 2.9Å; D755-M758 PolarHBondContact O-N 3.29Å; M758-A760 VanDerWaalsContact C-N 3.27Å; M758-A760 PolarHBondContact O-N 2.77Å; M758-I761 PolarHBondContact O-N 2.73Å; M758-I761 VanDerWaalsContact O-N 3.1Å; M758-E762 WeakPolarHBondContact O-CB 3.45Å; M758-E762 WeakPolarHBondContact O-CG 3.25Å; M758-E762 PolarHBondContact O-N 3.42Å
759	T	84.2	Confident	71.1	Confident	57 Å²	57	60.3 Å²	60.3	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-55	-44.5	176.4	-56.3	0	0	0	0	111.1	L732 D755 N763	L732-T759 HydrophobicContact CD1-CG2 4.43Å; L732-T759 HydrophobicContact CD2-CG2 4.4Å; D755-T759 WeakPolarHBondContact O-CB 3.46Å; D755-T759 PolarHBondContact O-N 2.97Å; D755-T759 PolarHBondContact O-OG1 3.29Å; T759-N763 WeakPolarHBondContact O-CB 3.34Å; T759-N763 PolarHBondContact O-N 3.12Å; T759-N763 VanDerWaalsContact O-N 3.11Å; T759-N763 PolarHBondContact O-ND2 3.16Å
760	A	84	Confident	68.1	Low	2 Å²	2	60.9 Å²	60.9	2%	0.017	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-42.2	177.8	0	0	0	0	0	112.7	F697 P733 K756 L757 M758 A764	F697-A760 HydrophobicContact CE1-CB 4.33Å; F697-A760 HydrophobicContact CZ-CB 4Å; P733-A760 HydrophobicContact CG-CB 4.37Å; K756-A760 WeakPolarHBondContact O-CB 3.27Å; K756-A760 PolarHBondContact O-N 3.27Å; L757-A760 PolarHBondContact O-N 3.2Å; M758-A760 VanDerWaalsContact C-N 3.27Å; M758-A760 PolarHBondContact O-N 2.77Å; A760-A764 VanDerWaalsContact O-CB 3.23Å; A760-A764 WeakPolarHBondContact O-CB 3.42Å; A760-A764 PolarHBondContact O-N 2.74Å
761	I	71.2	Confident	65.1	Low	14 Å²	14	69.6 Å²	69.6	7%	0.072	39%	0.394	C	S	.	.	H	α-helix	trans	-64.7	-46.1	178.5	-65	160.5	0	0	0	111.2	F686 L690 R693 L694 F697 L757 M758 A764	F686-I761 HydrophobicContact CE2-CD1 4.45Å; L690-I761 HydrophobicContact CD1-CD1 4.5Å; L690-I761 HydrophobicContact CD1-CG2 4.45Å; R693-I761 HydrophobicContact CB-CG2 3.51Å; L694-I761 HydrophobicContact CB-CD1 3.74Å; L694-I761 HydrophobicContact CB-CG1 4.41Å; L694-I761 HydrophobicContact CD1-CD1 3.87Å; L694-I761 HydrophobicContact CD1-CG1 4.2Å; L694-I761 HydrophobicContact CG-CD1 4.32Å; F697-I761 HydrophobicContact CB-CG1 4.3Å; F697-I761 HydrophobicContact CD1-CG1 4.25Å; F697-I761 HydrophobicContact CG-CG1 4.36Å; L757-I761 HydrophobicContact CD1-CD1 4.47Å; L757-I761 HydrophobicContact CG-CD1 3.99Å; L757-I761 WeakPolarHBondContact O-CD1 3.4Å; L757-I761 WeakPolarHBondContact O-CG1 3.18Å; L757-I761 PolarHBondContact O-N 3.5Å; M758-I761 PolarHBondContact O-N 2.73Å; M758-I761 VanDerWaalsContact O-N 3.1Å; I761-A764 PolarHBondContact O-N 2.79Å
762	E	67.7	Low	63.8	Low	110 Å²	110	69 Å²	69	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-70	-32.4	-175.7	-70.6	172.5	176	0	0	112.4	M758	M758-E762 WeakPolarHBondContact O-CB 3.45Å; M758-E762 WeakPolarHBondContact O-CG 3.25Å; M758-E762 PolarHBondContact O-N 3.42Å
763	N	64.5	Low	62.3	Low	105 Å²	105	70 Å²	70	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-94.6	-1.5	178.9	-65.6	-76.1	0	0	0	113.6	T759 A765 C766	T759-N763 WeakPolarHBondContact O-CB 3.34Å; T759-N763 PolarHBondContact O-N 3.12Å; T759-N763 VanDerWaalsContact O-N 3.11Å; T759-N763 PolarHBondContact O-ND2 3.16Å; N763-A765 PolarHBondContact O-N 2.98Å; N763-C766 PolarHBondContact O-N 3.19Å
764	A	57.5	Low	60.5	Low	28 Å²	28	73.8 Å²	73.8	23%	0.231	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.2	-176.7	0	0	0	0	0	115.3	F697 A760 I761 C766 F767	F697-A764 HydrophobicContact CD2-CB 3.41Å; F697-A764 VanDerWaalsContact CD2-CB 3.41Å; F697-A764 HydrophobicContact CE2-CB 3.77Å; F697-A764 HydrophobicContact CG-CB 4.49Å; A760-A764 VanDerWaalsContact O-CB 3.23Å; A760-A764 WeakPolarHBondContact O-CB 3.42Å; A760-A764 PolarHBondContact O-N 2.74Å; I761-A764 PolarHBondContact O-N 2.79Å; A764-C766 PolarHBondContact O-N 3.04Å; A764-F767 HydrophobicContact CB-CD2 4.2Å; A764-F767 HydrophobicContact CB-CE2 4Å
765	A	43.1	Very low	58.8	Low	84 Å²	84	76.5 Å²	76.5	69%	0.694	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.2	172.5	0	0	0	0	0	113.2	N763	N763-A765 PolarHBondContact O-N 2.98Å
766	C	33.1	Very low	56.9	Low	105 Å²	105	76.7 Å²	76.7	71%	0.709	45%	0.446	S	S	*	.			trans	-136	99.2	173.1	-84	0	0	0	0	110.2	N763 A764	N763-C766 PolarHBondContact O-N 3.19Å; A764-C766 PolarHBondContact O-N 3.04Å
767	F	31.7	Very low	54.5	Low	97 Å²	97	79 Å²	79	43%	0.425	46%	0.464	S	S	.	.			trans	-114.6	83.6	158.7	-89.2	-78.6	0	0	0	109.6	F697 A764 V770	F697-F767 AromaticContact CE2-CE2 3.83Å; F697-F767 HydrophobicContact CE2-CE2 3.83Å; A764-F767 HydrophobicContact CB-CD2 4.2Å; A764-F767 HydrophobicContact CB-CE2 4Å; F767-V770 HydrophobicContact CD1-CG2 4.15Å; F767-V770 HydrophobicContact CE1-CG2 4.32Å
768	E	27.3	Very low	52	Low	169 Å²	169	84.6 Å²	84.6	79%	0.79	50%	0.497	S	S	*	.			trans	-58.3	147.1	148	-70.4	-177.4	156.6	0	0	109.1	V770	E768-V770 PolarHBondContact O-N 3.49Å
769	G	26	Very low	49.7	Very low	71 Å²	71	87.4 Å²	87.4	73%	0.732	52%	0.516	S	S	*	.			trans	-46.1	131.6	-170.3	0	0	0	0	0	114.9
770	V	27.1	Very low	46.8	Very low	63 Å²	63	89.9 Å²	89.9	38%	0.382	53%	0.53	S	S	.	.			trans	-120	86	160.2	-151	0	0	0	0	106.9	R734 F767 E768	R734-V770 PolarHBondContact NH1-O 2.92Å; R734-V770 VanDerWaalsContact NH2-CB 3.34Å; F767-V770 HydrophobicContact CD1-CG2 4.15Å; F767-V770 HydrophobicContact CE1-CG2 4.32Å; E768-V770 PolarHBondContact O-N 3.49Å
771	D	28.7	Very low	43.4	Very low	231 Å²	231	97.9 Å²	97.9	100%	1.235	58%	0.577	S	S	*	*			trans	-81.3	0	139.7	-90.2	-23.1	0	0	0	108.2

Retrieved 771 of 771 residues in 2168.9 ms (Link to these results)

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