A0A3Q0KSC9_SCHMA Loading...

Activating signal cointegrator 1

AlphaFold DB , UniProt , Accession A0A3Q0KSC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 585 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	80.8	Confident	85.6	Confident	72 Å²	72	79.4 Å²	79.4	36%	0.355	39%	0.39	S	S	.	.				0	-44.1	0	-70.7	-51.2	-77.9	0	0	113.6	K3 V4 K5 I21 I54 L55 E58	M1-K3 PolarHBondContact O-N 2.91Å; M1-V4 WeakPolarHBondContact O-CA 3.38Å; M1-V4 WeakPolarHBondContact O-CB 3.18Å; M1-V4 PolarHBondContact O-N 2.9Å; M1-K5 PolarHBondContact O-N 3.49Å; M1-I21 HydrophobicContact CE-CG2 3.75Å; M1-I54 HydrophobicContact SD-CG2 3.99Å; M1-L55 HydrophobicContact CE-CD2 4.31Å; M1-E58 HydrophobicContact CE-CG 4.36Å; M1-E58 HydrophobicContact CG-CG 4.39Å; M1-E58 HydrophobicContact SD-CB 4Å; M1-E58 HydrophobicContact SD-CG 3.84Å
2	E	83.4	Confident	85.3	Confident	168 Å²	168	78.1 Å²	78.1	79%	0.785	39%	0.386	S	S	*	.	H	α-helix	trans	-55.4	-45.6	-177	-67.4	159.9	171.2	0	0	114.1	V4 K5 S6	E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 3.42Å; E2-K5 WeakPolarHBondContact O-CB 3.39Å; E2-K5 PolarHBondContact O-N 2.58Å; E2-K5 VanDerWaalsContact O-N 3.11Å; E2-S6 PolarHBondContact O-N 3.13Å
3	K	84	Confident	85.4	Confident	139 Å²	139	74.7 Å²	74.7	60%	0.604	38%	0.383	S	S	*	.	H	α-helix	trans	-53.5	-45.4	173.4	-67.8	-170.5	177	-173.8	0	112.3	M1 S6 I7	M1-K3 PolarHBondContact O-N 2.91Å; K3-S6 WeakPolarHBondContact CA-OG 3.45Å; K3-S6 PolarHBondContact O-N 3.29Å; K3-S6 PolarHBondContact O-OG 3.41Å; K3-I7 WeakPolarHBondContact O-CG1 3.44Å; K3-I7 PolarHBondContact O-N 3.03Å
4	V	86.9	Confident	85.3	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.006	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-45.9	176.2	173.2	0	0	0	0	111.8	M1 E2 S6 I7 L8 I21 V51 I54 L55	M1-V4 WeakPolarHBondContact O-CA 3.38Å; M1-V4 WeakPolarHBondContact O-CB 3.18Å; M1-V4 PolarHBondContact O-N 2.9Å; E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 3.42Å; V4-S6 VanDerWaalsContact C-N 3.33Å; V4-S6 PolarHBondContact O-N 3.49Å; V4-I7 PolarHBondContact O-N 3.41Å; V4-L8 HydrophobicContact CG1-CD1 3.64Å; V4-L8 HydrophobicContact CG1-CG 4.38Å; V4-L8 WeakPolarHBondContact O-CB 3.33Å; V4-L8 WeakPolarHBondContact O-CG 3.46Å; V4-L8 PolarHBondContact O-N 3.24Å; V4-I21 HydrophobicContact CG1-CD1 4.22Å; V4-I21 HydrophobicContact CG1-CG1 4.3Å; V4-V51 HydrophobicContact CG1-CG1 4.09Å; V4-I54 HydrophobicContact CG2-CB 3.64Å; V4-I54 HydrophobicContact CG2-CD1 3.84Å; V4-I54 HydrophobicContact CG2-CG1 4.35Å; V4-I54 HydrophobicContact CG2-CG2 3.53Å; V4-L55 HydrophobicContact CG1-CD2 4.45Å; V4-L55 HydrophobicContact CG1-CG 4.42Å
5	K	87.7	Confident	85.1	Confident	102 Å²	102	85.4 Å²	85.4	44%	0.443	43%	0.425	S	S	.	.	H	α-helix	trans	-55.7	-49.5	172.2	-73.9	-168.5	170.6	-164	0	110.6	M1 E2 I7 L8 T9 I21	M1-K5 PolarHBondContact O-N 3.49Å; E2-K5 WeakPolarHBondContact O-CB 3.39Å; E2-K5 PolarHBondContact O-N 2.58Å; E2-K5 VanDerWaalsContact O-N 3.11Å; K5-I7 VanDerWaalsContact C-N 3.27Å; K5-I7 PolarHBondContact O-N 3.47Å; K5-L8 PolarHBondContact O-N 3.12Å; K5-T9 WeakPolarHBondContact O-CB 3.15Å; K5-T9 WeakPolarHBondContact O-CG2 3.33Å; K5-T9 PolarHBondContact O-N 3.45Å; K5-T9 PolarHBondContact O-OG1 2.95Å; K5-T9 VanDerWaalsContact O-OG1 3.06Å; K5-I21 HydrophobicContact CG-CD1 3.87Å
6	S	87.3	Confident	85.3	Confident	54 Å²	54	82.8 Å²	82.8	38%	0.378	42%	0.42	S	S	.	.	H	α-helix	trans	-67.1	-20.5	-176.4	75.8	0	0	0	0	115.4	E2 K3 V4 T9 K10	E2-S6 PolarHBondContact O-N 3.13Å; K3-S6 WeakPolarHBondContact CA-OG 3.45Å; K3-S6 PolarHBondContact O-N 3.29Å; K3-S6 PolarHBondContact O-OG 3.41Å; V4-S6 VanDerWaalsContact C-N 3.33Å; V4-S6 PolarHBondContact O-N 3.49Å; S6-T9 WeakPolarHBondContact CA-OG1 3.46Å; S6-T9 PolarHBondContact O-OG1 3Å; S6-K10 WeakPolarHBondContact O-CD 3.48Å; S6-K10 VanDerWaalsContact O-CG 3.28Å; S6-K10 WeakPolarHBondContact O-CG 3.41Å
7	I	86.6	Confident	85.5	Confident	26 Å²	26	78 Å²	78	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-85.7	-46.4	174	-67.4	164.5	0	0	0	109.5	K3 V4 K5 K10 T11 L41 E47 V51	K3-I7 WeakPolarHBondContact O-CG1 3.44Å; K3-I7 PolarHBondContact O-N 3.03Å; V4-I7 PolarHBondContact O-N 3.41Å; K5-I7 VanDerWaalsContact C-N 3.27Å; K5-I7 PolarHBondContact O-N 3.47Å; I7-K10 PolarHBondContact O-N 3.08Å; I7-T11 PolarHBondContact O-N 2.88Å; I7-T11 PolarHBondContact O-OG1 3.17Å; I7-L41 HydrophobicContact CG2-CD1 4.2Å; I7-E47 HydrophobicContact CD1-CB 4.41Å; I7-V51 HydrophobicContact CB-CG2 4.19Å; I7-V51 HydrophobicContact CD1-CG2 3.96Å; I7-V51 HydrophobicContact CG2-CG2 3.83Å
8	L	86.8	Confident	85.6	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-69.6	-33.6	179.6	-66	169.8	0	0	0	112.7	V4 K5 K10 T11 L12 A17 F20 I21 L41	V4-L8 HydrophobicContact CG1-CD1 3.64Å; V4-L8 HydrophobicContact CG1-CG 4.38Å; V4-L8 WeakPolarHBondContact O-CB 3.33Å; V4-L8 WeakPolarHBondContact O-CG 3.46Å; V4-L8 PolarHBondContact O-N 3.24Å; K5-L8 PolarHBondContact O-N 3.12Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 2.72Å; L8-T11 PolarHBondContact O-N 2.97Å; L8-T11 PolarHBondContact O-OG1 3.02Å; L8-L12 HydrophobicContact CD2-CD1 4.05Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 2.76Å; L8-A17 HydrophobicContact CB-CB 3.6Å; L8-F20 HydrophobicContact CD1-CD1 3.89Å; L8-F20 HydrophobicContact CD1-CE1 4.48Å; L8-F20 HydrophobicContact CD2-CD1 3.95Å; L8-F20 HydrophobicContact CD2-CE1 4.21Å; L8-I21 HydrophobicContact CD1-CD1 3.99Å; L8-I21 HydrophobicContact CD1-CG1 3.66Å; L8-L41 HydrophobicContact CD2-CD1 4.18Å
9	T	89.6	Confident	85.8	Confident	53 Å²	53	79.8 Å²	79.8	33%	0.325	41%	0.406	S	S	.	.	H	α-helix	trans	-64.7	-33.6	174.9	55.2	0	0	0	0	111.9	K5 S6 T11 G13 E14 A17	K5-T9 WeakPolarHBondContact O-CB 3.15Å; K5-T9 WeakPolarHBondContact O-CG2 3.33Å; K5-T9 PolarHBondContact O-N 3.45Å; K5-T9 PolarHBondContact O-OG1 2.95Å; K5-T9 VanDerWaalsContact O-OG1 3.06Å; S6-T9 WeakPolarHBondContact CA-OG1 3.46Å; S6-T9 PolarHBondContact O-OG1 3Å; T9-T11 VanDerWaalsContact C-N 3.32Å; T9-T11 PolarHBondContact O-N 2.81Å; T9-G13 WeakPolarHBondContact O-CA 3.4Å; T9-G13 PolarHBondContact O-N 3.28Å; T9-G13 VanDerWaalsContact O-N 3.12Å; T9-E14 HydrophobicContact CG2-CB 4.36Å; T9-E14 HydrophobicContact CG2-CG 4.46Å; T9-A17 HydrophobicContact CG2-CB 4.1Å
10	K	86	Confident	85.9	Confident	179 Å²	179	77.3 Å²	77.3	78%	0.778	39%	0.392	S	S	*	.	H	α-helix	trans	-69.8	-23.9	175.8	-73.6	175.4	-176.8	-176.4	0	113.7	S6 I7 L8	S6-K10 WeakPolarHBondContact O-CD 3.48Å; S6-K10 VanDerWaalsContact O-CG 3.28Å; S6-K10 WeakPolarHBondContact O-CG 3.41Å; I7-K10 PolarHBondContact O-N 3.08Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 2.72Å
11	T	82.7	Confident	86.1	Confident	79 Å²	79	74.4 Å²	74.4	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-109.5	-27.5	-175.6	58.1	0	0	0	0	114.4	I7 L8 T9 L41	I7-T11 PolarHBondContact O-N 2.88Å; I7-T11 PolarHBondContact O-OG1 3.17Å; L8-T11 PolarHBondContact O-N 2.97Å; L8-T11 PolarHBondContact O-OG1 3.02Å; T9-T11 VanDerWaalsContact C-N 3.32Å; T9-T11 PolarHBondContact O-N 2.81Å; T11-L41 HydrophobicContact CG2-CD2 3.88Å
12	L	81.9	Confident	86.5	Confident	64 Å²	64	77.1 Å²	77.1	34%	0.335	39%	0.388	S	S	.	.	H	α-helix	trans	-122.4	-11.2	-174.6	-63.7	168.4	0	0	0	113.6	L8 A16 F20 L40	L8-L12 HydrophobicContact CD2-CD1 4.05Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 2.76Å; L12-A16 HydrophobicContact CB-CB 4.03Å; L12-F20 HydrophobicContact CD1-CB 4.43Å; L12-L40 HydrophobicContact CD2-CD2 4.37Å
13	G	86.8	Confident	86.8	Confident	34 Å²	34	70.6 Å²	70.6	35%	0.351	36%	0.363	S	S	.	.			trans	74.7	165.5	-167.3	0	0	0	0	0	112.9	T9 K15 A17	T9-G13 WeakPolarHBondContact O-CA 3.4Å; T9-G13 PolarHBondContact O-N 3.28Å; T9-G13 VanDerWaalsContact O-N 3.12Å; G13-K15 PolarHBondContact O-N 2.93Å; G13-A17 WeakPolarHBondContact O-CB 3.31Å; G13-A17 PolarHBondContact O-N 2.88Å
14	E	83.7	Confident	86.9	Confident	137 Å²	137	64 Å²	64	64%	0.64	33%	0.334	S	S	*	.	H	α-helix	trans	-66.2	-40.9	-164	-174.3	171.7	-152	0	0	115	T9 M18	T9-E14 HydrophobicContact CG2-CB 4.36Å; T9-E14 HydrophobicContact CG2-CG 4.46Å; E14-M18 HydrophobicContact CG-CE 4.28Å; E14-M18 WeakPolarHBondContact O-CG 3.41Å; E14-M18 PolarHBondContact O-N 3.47Å
15	K	83.4	Confident	86.8	Confident	173 Å²	173	65 Å²	65	75%	0.752	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-58.1	179.8	-65.3	-177.7	179.5	179.7	0	111.1	G13 A17 M18 D19	G13-K15 PolarHBondContact O-N 2.93Å; K15-A17 VanDerWaalsContact C-N 3.26Å; K15-A17 PolarHBondContact O-N 3.15Å; K15-M18 PolarHBondContact O-N 3.07Å; K15-D19 PolarHBondContact O-N 3.12Å
16	A	87	Confident	86.7	Confident	43 Å²	43	65.9 Å²	65.9	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-30.1	-179.9	0	0	0	0	0	113.1	L12 F20	L12-A16 HydrophobicContact CB-CB 4.03Å; A16-F20 VanDerWaalsContact O-CB 3.22Å; A16-F20 WeakPolarHBondContact O-CB 3.32Å; A16-F20 PolarHBondContact O-N 2.87Å
17	A	88.6	Confident	86.6	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-40.3	170.4	0	0	0	0	0	112.7	L8 T9 G13 K15 I21	L8-A17 HydrophobicContact CB-CB 3.6Å; T9-A17 HydrophobicContact CG2-CB 4.1Å; G13-A17 WeakPolarHBondContact O-CB 3.31Å; G13-A17 PolarHBondContact O-N 2.88Å; K15-A17 VanDerWaalsContact C-N 3.26Å; K15-A17 PolarHBondContact O-N 3.15Å; A17-I21 WeakPolarHBondContact O-CD1 3.3Å; A17-I21 VanDerWaalsContact O-CG1 3.22Å; A17-I21 WeakPolarHBondContact O-CG1 3.32Å; A17-I21 PolarHBondContact O-N 3.46Å
18	M	87.5	Confident	86.2	Confident	89 Å²	89	69.3 Å²	69.3	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-72	-42.6	175.9	-69.9	-164.3	-69.9	0	0	112.3	E14 K15 F20 I21 K22	E14-M18 HydrophobicContact CG-CE 4.28Å; E14-M18 WeakPolarHBondContact O-CG 3.41Å; E14-M18 PolarHBondContact O-N 3.47Å; K15-M18 PolarHBondContact O-N 3.07Å; M18-F20 PolarHBondContact O-N 3.29Å; M18-I21 PolarHBondContact O-N 2.78Å; M18-K22 PolarHBondContact O-N 3.23Å
19	D	89.1	Confident	86.1	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-40.8	177.5	-65.6	-42.2	0	0	0	111.7	K15 K22 A23	K15-D19 PolarHBondContact O-N 3.12Å; D19-K22 WeakPolarHBondContact O-CB 3.26Å; D19-K22 PolarHBondContact O-N 3.26Å; D19-A23 WeakPolarHBondContact O-CB 3.43Å; D19-A23 PolarHBondContact O-N 3.01Å
20	F	89.6	Confident	85.8	Confident	29 Å²	29	72.5 Å²	72.5	13%	0.127	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-41.1	174.8	-178.4	-104.9	0	0	0	112.7	L8 L12 A16 M18 C24 R36 V37 L40 L55	L8-F20 HydrophobicContact CD1-CD1 3.89Å; L8-F20 HydrophobicContact CD1-CE1 4.48Å; L8-F20 HydrophobicContact CD2-CD1 3.95Å; L8-F20 HydrophobicContact CD2-CE1 4.21Å; L12-F20 HydrophobicContact CD1-CB 4.43Å; A16-F20 VanDerWaalsContact O-CB 3.22Å; A16-F20 WeakPolarHBondContact O-CB 3.32Å; A16-F20 PolarHBondContact O-N 2.87Å; M18-F20 PolarHBondContact O-N 3.29Å; F20-C24 WeakPolarHBondContact CZ-SG 3.16Å; F20-C24 WeakPolarHBondContact O-CB 3.25Å; F20-C24 PolarHBondContact O-N 3.09Å; F20-C24 PolarHBondContact O-SG 3.35Å; F20-R36 HydrophobicContact CE2-CB 4.15Å; F20-R36 HydrophobicContact CZ-CB 4.2Å; F20-V37 HydrophobicContact CE1-CG2 4.1Å; F20-V37 HydrophobicContact CZ-CG2 4.04Å; F20-L40 HydrophobicContact CD2-CD1 3.59Å; F20-L40 HydrophobicContact CE1-CD1 4.33Å; F20-L40 HydrophobicContact CE2-CD1 3.21Å; F20-L40 HydrophobicContact CG-CD1 4.31Å; F20-L40 HydrophobicContact CZ-CD1 3.62Å; F20-L55 HydrophobicContact CE1-CD1 4.47Å
21	I	89.6	Confident	85.7	Confident	17 Å²	17	68.9 Å²	68.9	9%	0.087	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-46.4	173.4	-70.6	165.6	0	0	0	110	M1 V4 K5 L8 A17 M18 C24 M25 L55	M1-I21 HydrophobicContact CE-CG2 3.75Å; V4-I21 HydrophobicContact CG1-CD1 4.22Å; V4-I21 HydrophobicContact CG1-CG1 4.3Å; K5-I21 HydrophobicContact CG-CD1 3.87Å; L8-I21 HydrophobicContact CD1-CD1 3.99Å; L8-I21 HydrophobicContact CD1-CG1 3.66Å; A17-I21 WeakPolarHBondContact O-CD1 3.3Å; A17-I21 VanDerWaalsContact O-CG1 3.22Å; A17-I21 WeakPolarHBondContact O-CG1 3.32Å; A17-I21 PolarHBondContact O-N 3.46Å; M18-I21 PolarHBondContact O-N 2.78Å; I21-C24 PolarHBondContact O-N 3.27Å; I21-M25 HydrophobicContact CG2-CG 4.43Å; I21-M25 VanDerWaalsContact O-CG 3.3Å; I21-M25 WeakPolarHBondContact O-CG 3.49Å; I21-M25 PolarHBondContact O-N 3.18Å; I21-L55 HydrophobicContact CG2-CD2 4.42Å
22	K	89	Confident	85.9	Confident	129 Å²	129	68.2 Å²	68.2	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-57.8	-53.4	178.2	-173.1	-169.9	177.7	-153.5	0	111	M18 D19 C24 M25 E26	M18-K22 PolarHBondContact O-N 3.23Å; D19-K22 WeakPolarHBondContact O-CB 3.26Å; D19-K22 PolarHBondContact O-N 3.26Å; K22-C24 PolarHBondContact O-N 3.38Å; K22-M25 PolarHBondContact O-N 3.07Å; K22-E26 WeakPolarHBondContact CE-OE1 3.36Å; K22-E26 IonicContact NZ-OE1 3.05Å; K22-E26 WeakPolarHBondContact O-CG 3.47Å; K22-E26 PolarHBondContact O-N 3.3Å; K22-E26 VanDerWaalsContact O-N 3.1Å
23	A	89	Confident	86	Confident	31 Å²	31	65.1 Å²	65.1	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-29.6	179.7	0	0	0	0	0	113.4	D19 R36	D19-A23 WeakPolarHBondContact O-CB 3.43Å; D19-A23 PolarHBondContact O-N 3.01Å; A23-R36 PolarHBondContact O-NH1 3.18Å
24	C	87.2	Confident	86	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-76.2	-31.5	173.2	-70.3	0	0	0	0	113.3	F20 I21 K22 I33 L55	F20-C24 WeakPolarHBondContact CZ-SG 3.16Å; F20-C24 WeakPolarHBondContact O-CB 3.25Å; F20-C24 PolarHBondContact O-N 3.09Å; F20-C24 PolarHBondContact O-SG 3.35Å; I21-C24 PolarHBondContact O-N 3.27Å; K22-C24 PolarHBondContact O-N 3.38Å; C24-I33 HydrophobicContact CB-CG2 4.49Å; C24-I33 WeakPolarHBondContact O-CD1 3.37Å; C24-L55 HydrophobicContact CB-CD1 4.3Å
25	M	83.9	Confident	86.2	Confident	22 Å²	22	69.9 Å²	69.9	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-76.2	-25	177.8	-68.2	-58.2	-50.5	0	0	113	I21 K22 V27 E58 K59 R62	I21-M25 HydrophobicContact CG2-CG 4.43Å; I21-M25 VanDerWaalsContact O-CG 3.3Å; I21-M25 WeakPolarHBondContact O-CG 3.49Å; I21-M25 PolarHBondContact O-N 3.18Å; K22-M25 PolarHBondContact O-N 3.07Å; M25-V27 VanDerWaalsContact C-N 3.33Å; M25-E58 HydrophobicContact CE-CG 3.87Å; M25-E58 HydrophobicContact SD-CB 4.27Å; M25-E58 HydrophobicContact SD-CG 3.78Å; M25-K59 HydrophobicContact CE-CB 4.23Å; M25-K59 HydrophobicContact CE-CD 4.29Å; M25-K59 WeakPolarHBondContact O-CD 3.35Å; M25-K59 PolarHBondContact O-NZ 3.44Å; M25-R62 HydrophobicContact CE-CB 4.46Å; M25-R62 HydrophobicContact CE-CG 4.18Å
26	E	85.4	Confident	86.3	Confident	121 Å²	121	66.1 Å²	66.1	57%	0.565	32%	0.324	S	S	*	.	S	Bend	trans	-73	-21.1	174.4	-71.8	166.3	171.7	0	0	113	K22	K22-E26 WeakPolarHBondContact CE-OE1 3.36Å; K22-E26 IonicContact NZ-OE1 3.05Å; K22-E26 WeakPolarHBondContact O-CG 3.47Å; K22-E26 PolarHBondContact O-N 3.3Å; K22-E26 VanDerWaalsContact O-N 3.1Å
27	V	85.2	Confident	86.3	Confident	20 Å²	20	64.1 Å²	64.1	12%	0.121	31%	0.308	C	S	.	.			trans	-82.8	131.7	178.2	170.2	0	0	0	0	111.1	M25 D29 I32 I33 R36 K59	M25-V27 VanDerWaalsContact C-N 3.33Å; V27-D29 WeakPolarHBondContact CG1-O 3.26Å; V27-I32 HydrophobicContact CG1-CB 3.72Å; V27-I32 HydrophobicContact CG1-CD1 4.45Å; V27-I32 HydrophobicContact CG1-CG2 3.72Å; V27-I32 HydrophobicContact CG2-CG2 4.28Å; V27-I33 HydrophobicContact CB-CG1 4.37Å; V27-I33 HydrophobicContact CG1-CG1 4.22Å; V27-R36 VanDerWaalsContact CG2-NH1 3.34Å; V27-K59 VanDerWaalsContact C-NZ 3.28Å; V27-K59 WeakPolarHBondContact O-CD 3.44Å; V27-K59 WeakPolarHBondContact O-CE 3.37Å; V27-K59 PolarHBondContact O-NZ 3.44Å
28	D	78.6	Confident	86.1	Confident	132 Å²	132	66.8 Å²	66.8	71%	0.706	33%	0.326	S	S	*	.			trans	-85.2	-33.3	179.2	-65.6	-41.7	0	0	0	114.2	T30 K59	D28-T30 PolarHBondContact O-N 3Å; D28-K59 WeakPolarHBondContact OD1-CE 3.49Å; D28-K59 IonicContact OD1-NZ 2.78Å; D28-K59 PolarHBondContact OD1-NZ 3.29Å
29	D	84.5	Confident	86.1	Confident	72 Å²	72	68 Å²	68	39%	0.385	34%	0.339	S	S	.	.			trans	-79.2	115.4	176.4	177.4	19.7	0	0	0	112.7	V27 Q31 I32 I33	V27-D29 WeakPolarHBondContact CG1-O 3.26Å; D29-Q31 PolarHBondContact O-N 3.18Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.26Å; D29-Q31 PolarHBondContact OD1-N 3.21Å; D29-I32 HydrophobicContact CB-CB 4.49Å; D29-I32 HydrophobicContact CB-CD1 4.07Å; D29-I32 HydrophobicContact CB-CG1 4.2Å; D29-I32 PolarHBondContact O-N 3.43Å; D29-I32 VanDerWaalsContact O-N 3.13Å; D29-I33 PolarHBondContact O-N 3.36Å
30	T	84.1	Confident	85.8	Confident	49 Å²	49	67.2 Å²	67.2	30%	0.301	33%	0.334	S	S	.	.	H	α-helix	trans	-56	-28.9	173.7	63.9	0	0	0	0	114.4	D28 I33 K34 I56	D28-T30 PolarHBondContact O-N 3Å; T30-I33 PolarHBondContact O-N 2.93Å; T30-K34 PolarHBondContact O-N 2.83Å; T30-K34 VanDerWaalsContact O-N 3.09Å; T30-I56 HydrophobicContact CG2-CG2 3.94Å
31	Q	82.4	Confident	85.5	Confident	103 Å²	103	66.4 Å²	66.4	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-72.3	-34.9	177.7	-59.2	-66.9	-7.4	0	0	111.8	D29 I33 K34 R35	D29-Q31 PolarHBondContact O-N 3.18Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.26Å; D29-Q31 PolarHBondContact OD1-N 3.21Å; Q31-I33 VanDerWaalsContact C-N 3.34Å; Q31-K34 PolarHBondContact O-N 3.36Å; Q31-R35 WeakPolarHBondContact O-CG 3.29Å; Q31-R35 PolarHBondContact O-N 2.94Å
32	I	86.5	Confident	85.1	Confident	64 Å²	64	68.9 Å²	68.9	33%	0.328	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-37.6	173	-66	173.1	0	0	0	110.6	V27 D29 R35 R36	V27-I32 HydrophobicContact CG1-CB 3.72Å; V27-I32 HydrophobicContact CG1-CD1 4.45Å; V27-I32 HydrophobicContact CG1-CG2 3.72Å; V27-I32 HydrophobicContact CG2-CG2 4.28Å; D29-I32 HydrophobicContact CB-CB 4.49Å; D29-I32 HydrophobicContact CB-CD1 4.07Å; D29-I32 HydrophobicContact CB-CG1 4.2Å; D29-I32 PolarHBondContact O-N 3.43Å; D29-I32 VanDerWaalsContact O-N 3.13Å; I32-R35 PolarHBondContact O-N 2.92Å; I32-R36 HydrophobicContact CG2-CG 4.36Å; I32-R36 WeakPolarHBondContact O-CB 3.37Å; I32-R36 WeakPolarHBondContact O-CG 3.4Å; I32-R36 PolarHBondContact O-N 3.46Å
33	I	85.6	Confident	84.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-48.4	172.9	-59.1	175.9	0	0	0	110.2	C24 V27 D29 T30 Q31 R35 R36 V37 L55 I56 K59	C24-I33 HydrophobicContact CB-CG2 4.49Å; C24-I33 WeakPolarHBondContact O-CD1 3.37Å; V27-I33 HydrophobicContact CB-CG1 4.37Å; V27-I33 HydrophobicContact CG1-CG1 4.22Å; D29-I33 PolarHBondContact O-N 3.36Å; T30-I33 PolarHBondContact O-N 2.93Å; Q31-I33 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.43Å; I33-R36 PolarHBondContact O-N 3.37Å; I33-V37 WeakPolarHBondContact O-CG2 3.29Å; I33-V37 PolarHBondContact O-N 3.47Å; I33-V37 VanDerWaalsContact O-N 3.09Å; I33-L55 HydrophobicContact CG2-CB 3.87Å; I33-L55 HydrophobicContact CG2-CD1 4.43Å; I33-I56 HydrophobicContact CB-CG1 4.31Å; I33-I56 HydrophobicContact CG2-CG1 4.14Å; I33-K59 HydrophobicContact CD1-CB 4.15Å; I33-K59 HydrophobicContact CD1-CG 4.24Å
34	K	86.5	Confident	84.1	Confident	98 Å²	98	74.1 Å²	74.1	43%	0.426	36%	0.36	S	S	.	.	H	α-helix	trans	-57.8	-47.1	176.3	-173.8	-177.2	176.4	-172.2	0	111.8	T30 Q31 V37 S38 Y52	T30-K34 PolarHBondContact O-N 2.83Å; T30-K34 VanDerWaalsContact O-N 3.09Å; Q31-K34 PolarHBondContact O-N 3.36Å; K34-V37 PolarHBondContact O-N 3.36Å; K34-S38 PolarHBondContact O-N 3.16Å; K34-S38 PolarHBondContact O-OG 3.42Å; K34-Y52 HydrophobicContact CG-CD2 4.22Å; K34-Y52 HydrophobicContact CG-CE2 4.37Å; K34-Y52 HydrophobicContact CG-CG 4.38Å
35	R	87	Confident	83.8	Confident	173 Å²	173	80.5 Å²	80.5	65%	0.653	39%	0.388	S	S	*	.	H	α-helix	trans	-57.9	-52.4	176.8	-74.6	175.5	-179.7	173.3	1.4	111.7	Q31 I32 I33 V37 S38 T39	Q31-R35 WeakPolarHBondContact O-CG 3.29Å; Q31-R35 PolarHBondContact O-N 2.94Å; I32-R35 PolarHBondContact O-N 2.92Å; I33-R35 PolarHBondContact O-N 3.43Å; R35-V37 VanDerWaalsContact C-N 3.31Å; R35-V37 PolarHBondContact O-N 3.25Å; R35-S38 WeakPolarHBondContact CA-OG 3.41Å; R35-S38 PolarHBondContact O-N 2.88Å; R35-S38 VanDerWaalsContact O-N 3.09Å; R35-S38 PolarHBondContact O-OG 3.12Å; R35-T39 PolarHBondContact O-N 3.2Å; R35-T39 PolarHBondContact O-OG1 3.08Å
36	R	86.7	Confident	83.6	Confident	93 Å²	93	86.2 Å²	86.2	35%	0.351	42%	0.416	S	S	.	.	H	α-helix	trans	-58.8	-37.5	-179.7	-76.3	-178.3	177.6	-174.5	3.4	113.5	F20 A23 V27 I32 I33 T39	F20-R36 HydrophobicContact CE2-CB 4.15Å; F20-R36 HydrophobicContact CZ-CB 4.2Å; A23-R36 PolarHBondContact O-NH1 3.18Å; V27-R36 VanDerWaalsContact CG2-NH1 3.34Å; I32-R36 HydrophobicContact CG2-CG 4.36Å; I32-R36 WeakPolarHBondContact O-CB 3.37Å; I32-R36 WeakPolarHBondContact O-CG 3.4Å; I32-R36 PolarHBondContact O-N 3.46Å; I33-R36 PolarHBondContact O-N 3.37Å; R36-T39 WeakPolarHBondContact CA-OG1 3.28Å; R36-T39 PolarHBondContact O-OG1 2.99Å
37	V	86.6	Confident	83.3	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.006	42%	0.418	C	S	.	.	H	α-helix	trans	-70.9	-43	174.4	175.7	0	0	0	0	110.9	F20 I33 K34 R35 T39 L40 L41 V51 Y52 L55	F20-V37 HydrophobicContact CE1-CG2 4.1Å; F20-V37 HydrophobicContact CZ-CG2 4.04Å; I33-V37 WeakPolarHBondContact O-CG2 3.29Å; I33-V37 PolarHBondContact O-N 3.47Å; I33-V37 VanDerWaalsContact O-N 3.09Å; K34-V37 PolarHBondContact O-N 3.36Å; R35-V37 VanDerWaalsContact C-N 3.31Å; R35-V37 PolarHBondContact O-N 3.25Å; V37-T39 PolarHBondContact O-N 3.33Å; V37-L40 PolarHBondContact O-N 3.28Å; V37-L41 HydrophobicContact CG1-CD1 4.33Å; V37-L41 PolarHBondContact O-N 2.88Å; V37-V51 HydrophobicContact CG1-CB 4.16Å; V37-V51 HydrophobicContact CG1-CG1 4.03Å; V37-V51 HydrophobicContact CG2-CG1 4.21Å; V37-Y52 HydrophobicContact CG1-CD1 4.39Å; V37-L55 HydrophobicContact CG2-CD1 3.95Å
38	S	84.6	Confident	83.1	Confident	59 Å²	59	86.5 Å²	86.5	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-21.8	178.9	61.6	0	0	0	0	114.8	K34 R35 L40	K34-S38 PolarHBondContact O-N 3.16Å; K34-S38 PolarHBondContact O-OG 3.42Å; R35-S38 WeakPolarHBondContact CA-OG 3.41Å; R35-S38 PolarHBondContact O-N 2.88Å; R35-S38 VanDerWaalsContact O-N 3.09Å; R35-S38 PolarHBondContact O-OG 3.12Å; S38-L40 VanDerWaalsContact C-N 3.35Å
39	T	86	Confident	83.4	Confident	115 Å²	115	86.2 Å²	86.2	71%	0.706	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.1	172	46.2	0	0	0	0	114.2	R35 R36 V37	R35-T39 PolarHBondContact O-N 3.2Å; R35-T39 PolarHBondContact O-OG1 3.08Å; R36-T39 WeakPolarHBondContact CA-OG1 3.28Å; R36-T39 PolarHBondContact O-OG1 2.99Å; V37-T39 PolarHBondContact O-N 3.33Å
40	L	83.9	Confident	83.4	Confident	84 Å²	84	86.1 Å²	86.1	44%	0.44	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-25	-176.4	-79	166	0	0	0	114	L12 F20 V37 S38	L12-L40 HydrophobicContact CD2-CD2 4.37Å; F20-L40 HydrophobicContact CD2-CD1 3.59Å; F20-L40 HydrophobicContact CE1-CD1 4.33Å; F20-L40 HydrophobicContact CE2-CD1 3.21Å; F20-L40 HydrophobicContact CG-CD1 4.31Å; F20-L40 HydrophobicContact CZ-CD1 3.62Å; V37-L40 PolarHBondContact O-N 3.28Å; S38-L40 VanDerWaalsContact C-N 3.35Å
41	L	82.7	Confident	83.5	Confident	12 Å²	12	83.8 Å²	83.8	6%	0.063	39%	0.389	C	S	.	.	S	Bend	trans	-135.3	131.4	-177.4	-64.4	177.7	0	0	0	110.1	I7 L8 T11 V37 T43 N48 V51	I7-L41 HydrophobicContact CG2-CD1 4.2Å; L8-L41 HydrophobicContact CD2-CD1 4.18Å; T11-L41 HydrophobicContact CG2-CD2 3.88Å; V37-L41 HydrophobicContact CG1-CD1 4.33Å; V37-L41 PolarHBondContact O-N 2.88Å; L41-T43 PolarHBondContact O-N 3.09Å; L41-N48 HydrophobicContact CB-CB 3.91Å; L41-N48 HydrophobicContact CD1-CB 4.42Å; L41-V51 HydrophobicContact CD1-CB 4.17Å; L41-V51 HydrophobicContact CD1-CG1 4.18Å; L41-V51 HydrophobicContact CD1-CG2 3.88Å
42	D	82	Confident	83.7	Confident	68 Å²	68	80.3 Å²	80.3	36%	0.364	37%	0.371	S	S	.	.			trans	-65	105.6	174.3	-173	-17.6	0	0	0	110.3	R44 K45 N48	D42-R44 PolarHBondContact O-N 2.86Å; D42-R44 WeakPolarHBondContact OD1-CB 3.49Å; D42-R44 VanDerWaalsContact OD1-CG 3.3Å; D42-R44 WeakPolarHBondContact OD1-CG 3.33Å; D42-R44 IonicContact OD1-CZ 3.25Å; D42-R44 PolarHBondContact OD1-N 2.99Å; D42-R44 IonicContact OD1-NE 2.69Å; D42-R44 PolarHBondContact OD1-NE 2.9Å; D42-R44 IonicContact OD1-NH2 3.01Å; D42-R44 IonicContact OD2-CZ 3.89Å; D42-R44 VanDerWaalsContact OD2-CZ 3.29Å; D42-R44 IonicContact OD2-NE 3.62Å; D42-R44 PolarHBondContact OD2-NE 3.09Å; D42-R44 IonicContact OD2-NH2 2.68Å; D42-R44 PolarHBondContact OD2-NH2 2.88Å; D42-K45 PolarHBondContact O-N 3.11Å; D42-N48 VanDerWaalsContact O-CB 3.28Å; D42-N48 WeakPolarHBondContact O-CB 3.36Å; D42-N48 PolarHBondContact O-ND2 3.45Å
43	T	78.3	Confident	83.7	Confident	55 Å²	55	80.6 Å²	80.6	34%	0.337	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.4	-176.2	50.6	0	0	0	0	113.9	L41 K45 Y52	L41-T43 PolarHBondContact O-N 3.09Å; T43-K45 PolarHBondContact O-N 3.02Å; T43-Y52 HydrophobicContact CG2-CD1 4.33Å; T43-Y52 HydrophobicContact CG2-CE1 4.24Å
44	R	77.5	Confident	83.8	Confident	215 Å²	215	82.3 Å²	82.3	81%	0.811	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.4	168.5	-63.6	175.7	-73	-165	0.5	112.2	D42	D42-R44 PolarHBondContact O-N 2.86Å; D42-R44 WeakPolarHBondContact OD1-CB 3.49Å; D42-R44 VanDerWaalsContact OD1-CG 3.3Å; D42-R44 WeakPolarHBondContact OD1-CG 3.33Å; D42-R44 IonicContact OD1-CZ 3.25Å; D42-R44 PolarHBondContact OD1-N 2.99Å; D42-R44 IonicContact OD1-NE 2.69Å; D42-R44 PolarHBondContact OD1-NE 2.9Å; D42-R44 IonicContact OD1-NH2 3.01Å; D42-R44 IonicContact OD2-CZ 3.89Å; D42-R44 VanDerWaalsContact OD2-CZ 3.29Å; D42-R44 IonicContact OD2-NE 3.62Å; D42-R44 PolarHBondContact OD2-NE 3.09Å; D42-R44 IonicContact OD2-NH2 2.68Å; D42-R44 PolarHBondContact OD2-NH2 2.88Å
45	K	81.6	Confident	83.9	Confident	134 Å²	134	77.7 Å²	77.7	58%	0.583	36%	0.36	S	S	*	.	S	Bend	trans	-82.9	127.6	171.3	-65.5	-173.6	177.8	-176.1	0	110.6	D42 T43 E47 N48 R49	D42-K45 PolarHBondContact O-N 3.11Å; T43-K45 PolarHBondContact O-N 3.02Å; K45-E47 VanDerWaalsContact C-N 3.25Å; K45-E47 PolarHBondContact O-N 3.04Å; K45-N48 HydrophobicContact CB-CB 4.32Å; K45-N48 WeakPolarHBondContact O-CB 3.24Å; K45-N48 PolarHBondContact O-N 3.07Å; K45-N48 VanDerWaalsContact O-N 3.07Å; K45-R49 PolarHBondContact O-N 2.84Å
46	M	80.3	Confident	83.9	Confident	142 Å²	142	71 Å²	71	70%	0.7	34%	0.337	S	S	*	.	H	α-helix	trans	-57.3	-36.7	-178.9	-170.3	-171.1	-68.6	0	0	112.9	N48 R49 Q50	M46-N48 PolarHBondContact O-N 3.26Å; M46-R49 WeakPolarHBondContact O-CB 3.21Å; M46-R49 PolarHBondContact O-N 3.12Å; M46-Q50 WeakPolarHBondContact O-CG 3.3Å; M46-Q50 PolarHBondContact O-N 3.23Å; M46-Q50 VanDerWaalsContact O-N 3.09Å
47	E	78	Confident	83.9	Confident	129 Å²	129	75.4 Å²	75.4	60%	0.603	35%	0.354	S	S	*	.	H	α-helix	trans	-60.2	-45	176.4	-56.6	-177.5	150.7	0	0	112	I7 K45 Q50	I7-E47 HydrophobicContact CD1-CB 4.41Å; K45-E47 VanDerWaalsContact C-N 3.25Å; K45-E47 PolarHBondContact O-N 3.04Å; E47-Q50 PolarHBondContact O-N 3.07Å
48	N	81.3	Confident	83.8	Confident	19 Å²	19	76.3 Å²	76.3	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-68.3	-36.2	177.4	-69.9	-14	0	0	0	111.7	L41 D42 K45 M46 Q50 V51	L41-N48 HydrophobicContact CB-CB 3.91Å; L41-N48 HydrophobicContact CD1-CB 4.42Å; D42-N48 VanDerWaalsContact O-CB 3.28Å; D42-N48 WeakPolarHBondContact O-CB 3.36Å; D42-N48 PolarHBondContact O-ND2 3.45Å; K45-N48 HydrophobicContact CB-CB 4.32Å; K45-N48 WeakPolarHBondContact O-CB 3.24Å; K45-N48 PolarHBondContact O-N 3.07Å; K45-N48 VanDerWaalsContact O-N 3.07Å; M46-N48 PolarHBondContact O-N 3.26Å; N48-Q50 VanDerWaalsContact C-N 3.33Å; N48-Q50 PolarHBondContact O-N 3.11Å; N48-V51 VanDerWaalsContact O-CB 3.32Å; N48-V51 WeakPolarHBondContact O-CB 3.44Å; N48-V51 PolarHBondContact O-N 2.87Å; N48-V51 VanDerWaalsContact O-N 3.13Å
49	R	84.4	Confident	83.7	Confident	125 Å²	125	74.4 Å²	74.4	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-41.9	174.4	-176.7	-179.4	165.9	152.5	0.8	112	K45 M46 V51 Y52 E53	K45-R49 PolarHBondContact O-N 2.84Å; M46-R49 WeakPolarHBondContact O-CB 3.21Å; M46-R49 PolarHBondContact O-N 3.12Å; R49-V51 PolarHBondContact O-N 2.78Å; R49-V51 VanDerWaalsContact O-N 3.13Å; R49-Y52 HydrophobicContact CB-CE1 4.34Å; R49-Y52 HydrophobicContact CG-CE1 3.76Å; R49-Y52 WeakPolarHBondContact CG-OH 3.46Å; R49-Y52 WeakPolarHBondContact O-CD1 3.47Å; R49-Y52 WeakPolarHBondContact O-CE1 3.31Å; R49-Y52 PolarHBondContact O-N 3.12Å; R49-E53 IonicContact CZ-OE1 3.49Å; R49-E53 IonicContact NE-OE1 3.51Å; R49-E53 PolarHBondContact NE-OE1 2.74Å; R49-E53 IonicContact NH2-OE1 2.68Å; R49-E53 PolarHBondContact NH2-OE1 2.97Å; R49-E53 VanDerWaalsContact NH2-OE1 3.14Å; R49-E53 PolarHBondContact O-N 3.31Å
50	Q	85.6	Confident	83.5	Confident	70 Å²	70	73.2 Å²	73.2	33%	0.327	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-22.5	176.4	-69.2	175.2	24	0	0	113.1	M46 E47 N48 I54	M46-Q50 WeakPolarHBondContact O-CG 3.3Å; M46-Q50 PolarHBondContact O-N 3.23Å; M46-Q50 VanDerWaalsContact O-N 3.09Å; E47-Q50 PolarHBondContact O-N 3.07Å; N48-Q50 VanDerWaalsContact C-N 3.33Å; N48-Q50 PolarHBondContact O-N 3.11Å; Q50-I54 HydrophobicContact CB-CD1 4.35Å; Q50-I54 WeakPolarHBondContact O-CB 3.28Å; Q50-I54 WeakPolarHBondContact O-CD1 3.32Å; Q50-I54 WeakPolarHBondContact O-CG1 2.86Å; Q50-I54 PolarHBondContact O-N 3.3Å
51	V	86.7	Confident	83.4	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-51	-180	175.2	0	0	0	0	111.9	V4 I7 V37 L41 N48 R49 L55	V4-V51 HydrophobicContact CG1-CG1 4.09Å; I7-V51 HydrophobicContact CB-CG2 4.19Å; I7-V51 HydrophobicContact CD1-CG2 3.96Å; I7-V51 HydrophobicContact CG2-CG2 3.83Å; V37-V51 HydrophobicContact CG1-CB 4.16Å; V37-V51 HydrophobicContact CG1-CG1 4.03Å; V37-V51 HydrophobicContact CG2-CG1 4.21Å; L41-V51 HydrophobicContact CD1-CB 4.17Å; L41-V51 HydrophobicContact CD1-CG1 4.18Å; L41-V51 HydrophobicContact CD1-CG2 3.88Å; N48-V51 VanDerWaalsContact O-CB 3.32Å; N48-V51 WeakPolarHBondContact O-CB 3.44Å; N48-V51 PolarHBondContact O-N 2.87Å; N48-V51 VanDerWaalsContact O-N 3.13Å; R49-V51 PolarHBondContact O-N 2.78Å; R49-V51 VanDerWaalsContact O-N 3.13Å; V51-L55 HydrophobicContact CG1-CD1 4.03Å; V51-L55 WeakPolarHBondContact O-CG 3.3Å; V51-L55 PolarHBondContact O-N 3.4Å; V51-L55 VanDerWaalsContact O-N 3.08Å
52	Y	86.1	Confident	82.9	Confident	30 Å²	30	81.7 Å²	81.7	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-72.4	-34.6	179	74.2	-104.2	0	0	0	111.9	K34 V37 T43 R49 I54 L55 I56	K34-Y52 HydrophobicContact CG-CD2 4.22Å; K34-Y52 HydrophobicContact CG-CE2 4.37Å; K34-Y52 HydrophobicContact CG-CG 4.38Å; V37-Y52 HydrophobicContact CG1-CD1 4.39Å; T43-Y52 HydrophobicContact CG2-CD1 4.33Å; T43-Y52 HydrophobicContact CG2-CE1 4.24Å; R49-Y52 HydrophobicContact CB-CE1 4.34Å; R49-Y52 HydrophobicContact CG-CE1 3.76Å; R49-Y52 WeakPolarHBondContact CG-OH 3.46Å; R49-Y52 WeakPolarHBondContact O-CD1 3.47Å; R49-Y52 WeakPolarHBondContact O-CE1 3.31Å; R49-Y52 PolarHBondContact O-N 3.12Å; Y52-I54 VanDerWaalsContact C-N 3.33Å; Y52-I54 PolarHBondContact O-N 2.85Å; Y52-L55 PolarHBondContact O-N 3.23Å; Y52-I56 HydrophobicContact CD2-CD1 4.04Å; Y52-I56 WeakPolarHBondContact O-CB 3.5Å; Y52-I56 VanDerWaalsContact O-CG1 3.32Å; Y52-I56 WeakPolarHBondContact O-CG1 3.39Å; Y52-I56 PolarHBondContact O-N 3.08Å
53	E	86.8	Confident	82.2	Confident	70 Å²	70	81.6 Å²	81.6	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-38.9	178.4	-66.1	178.7	170.8	0	0	111.5	R49 R57	R49-E53 IonicContact CZ-OE1 3.49Å; R49-E53 IonicContact NE-OE1 3.51Å; R49-E53 PolarHBondContact NE-OE1 2.74Å; R49-E53 IonicContact NH2-OE1 2.68Å; R49-E53 PolarHBondContact NH2-OE1 2.97Å; R49-E53 VanDerWaalsContact NH2-OE1 3.14Å; R49-E53 PolarHBondContact O-N 3.31Å; E53-R57 WeakPolarHBondContact O-CB 3.28Å; E53-R57 PolarHBondContact O-N 2.93Å; E53-R57 VanDerWaalsContact O-N 3.12Å
54	I	88.2	Confident	81.2	Confident	37 Å²	37	82.2 Å²	82.2	19%	0.19	38%	0.378	C	S	.	.	H	α-helix	trans	-72.3	-39.8	174.4	-66.8	166.1	0	0	0	111.6	M1 V4 Q50 Y52 R57 E58	M1-I54 HydrophobicContact SD-CG2 3.99Å; V4-I54 HydrophobicContact CG2-CB 3.64Å; V4-I54 HydrophobicContact CG2-CD1 3.84Å; V4-I54 HydrophobicContact CG2-CG1 4.35Å; V4-I54 HydrophobicContact CG2-CG2 3.53Å; Q50-I54 HydrophobicContact CB-CD1 4.35Å; Q50-I54 WeakPolarHBondContact O-CB 3.28Å; Q50-I54 WeakPolarHBondContact O-CD1 3.32Å; Q50-I54 WeakPolarHBondContact O-CG1 2.86Å; Q50-I54 PolarHBondContact O-N 3.3Å; Y52-I54 VanDerWaalsContact C-N 3.33Å; Y52-I54 PolarHBondContact O-N 2.85Å; I54-R57 PolarHBondContact O-N 2.97Å; I54-E58 WeakPolarHBondContact O-CB 3.46Å; I54-E58 PolarHBondContact O-N 3.34Å
55	L	87.4	Confident	79.9	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-42.7	177.6	-75.1	169.6	0	0	0	112.3	M1 V4 F20 I21 C24 I33 V37 V51 Y52 E58 K59	M1-L55 HydrophobicContact CE-CD2 4.31Å; V4-L55 HydrophobicContact CG1-CD2 4.45Å; V4-L55 HydrophobicContact CG1-CG 4.42Å; F20-L55 HydrophobicContact CE1-CD1 4.47Å; I21-L55 HydrophobicContact CG2-CD2 4.42Å; C24-L55 HydrophobicContact CB-CD1 4.3Å; I33-L55 HydrophobicContact CG2-CB 3.87Å; I33-L55 HydrophobicContact CG2-CD1 4.43Å; V37-L55 HydrophobicContact CG2-CD1 3.95Å; V51-L55 HydrophobicContact CG1-CD1 4.03Å; V51-L55 WeakPolarHBondContact O-CG 3.3Å; V51-L55 PolarHBondContact O-N 3.4Å; V51-L55 VanDerWaalsContact O-N 3.08Å; Y52-L55 PolarHBondContact O-N 3.23Å; L55-E58 PolarHBondContact O-N 2.74Å; L55-K59 PolarHBondContact O-N 2.86Å
56	I	86.4	Confident	78	Confident	34 Å²	34	79.2 Å²	79.2	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-63.3	-45.1	175	-69.8	172	0	0	0	110.4	T30 I33 Y52 E58 K59 I60	T30-I56 HydrophobicContact CG2-CG2 3.94Å; I33-I56 HydrophobicContact CB-CG1 4.31Å; I33-I56 HydrophobicContact CG2-CG1 4.14Å; Y52-I56 HydrophobicContact CD2-CD1 4.04Å; Y52-I56 WeakPolarHBondContact O-CB 3.5Å; Y52-I56 VanDerWaalsContact O-CG1 3.32Å; Y52-I56 WeakPolarHBondContact O-CG1 3.39Å; Y52-I56 PolarHBondContact O-N 3.08Å; I56-E58 VanDerWaalsContact C-N 3.32Å; I56-E58 PolarHBondContact O-N 3.11Å; I56-K59 PolarHBondContact O-N 3.2Å; I56-I60 HydrophobicContact CG2-CD1 3.77Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.28Å; I56-I60 PolarHBondContact O-N 3.14Å
57	R	86.9	Confident	75.9	Confident	185 Å²	185	75.4 Å²	75.4	70%	0.698	38%	0.382	S	S	*	.	H	α-helix	trans	-60.9	-39.6	176.1	-173.1	176.5	-69.9	157.7	-0.2	112.2	E53 I54 R61	E53-R57 WeakPolarHBondContact O-CB 3.28Å; E53-R57 PolarHBondContact O-N 2.93Å; E53-R57 VanDerWaalsContact O-N 3.12Å; I54-R57 PolarHBondContact O-N 2.97Å; R57-R61 WeakPolarHBondContact O-CB 3.48Å; R57-R61 PolarHBondContact O-N 3.44Å
58	E	85	Confident	73.8	Confident	20 Å²	20	77.8 Å²	77.8	9%	0.093	39%	0.392	C	S	.	.	H	α-helix	trans	-70.5	-36.7	175.9	178.3	65.1	-173.1	0	0	112.5	M1 M25 I54 L55 I56 R61 R62	M1-E58 HydrophobicContact CE-CG 4.36Å; M1-E58 HydrophobicContact CG-CG 4.39Å; M1-E58 HydrophobicContact SD-CB 4Å; M1-E58 HydrophobicContact SD-CG 3.84Å; M25-E58 HydrophobicContact CE-CG 3.87Å; M25-E58 HydrophobicContact SD-CB 4.27Å; M25-E58 HydrophobicContact SD-CG 3.78Å; I54-E58 WeakPolarHBondContact O-CB 3.46Å; I54-E58 PolarHBondContact O-N 3.34Å; L55-E58 PolarHBondContact O-N 2.74Å; I56-E58 VanDerWaalsContact C-N 3.32Å; I56-E58 PolarHBondContact O-N 3.11Å; E58-R61 VanDerWaalsContact CD-NH2 3.29Å; E58-R61 PolarHBondContact O-N 3.06Å; E58-R61 IonicContact OE1-CZ 3.34Å; E58-R61 IonicContact OE1-NE 2.58Å; E58-R61 IonicContact OE1-NH2 3.06Å; E58-R61 PolarHBondContact OE1-NH2 3.42Å; E58-R61 IonicContact OE2-CZ 3.7Å; E58-R61 IonicContact OE2-NE 3.74Å; E58-R61 PolarHBondContact OE2-NE 3.32Å; E58-R61 IonicContact OE2-NH2 2.72Å; E58-R61 PolarHBondContact OE2-NH2 3.31Å; E58-R62 WeakPolarHBondContact O-CG 3.16Å; E58-R62 PolarHBondContact O-N 3.49Å; E58-R62 VanDerWaalsContact O-N 3.16Å; E58-R62 IonicContact OE1-CZ 2.77Å; E58-R62 VanDerWaalsContact OE1-CZ 3.22Å; E58-R62 IonicContact OE1-NE 3.93Å; E58-R62 PolarHBondContact OE1-NE 2.98Å; E58-R62 IonicContact OE1-NH2 3.9Å; E58-R62 PolarHBondContact OE1-NH2 3.01Å
59	K	83.2	Confident	71.2	Confident	18 Å²	18	80.7 Å²	80.7	8%	0.078	43%	0.427	C	S	.	.	H	α-helix	trans	-62.4	-50.6	172.7	-178.7	73.9	-168.8	-154.2	0	110.9	M25 V27 D28 I33 L55 I56 R61 R62 S63	M25-K59 HydrophobicContact CE-CB 4.23Å; M25-K59 HydrophobicContact CE-CD 4.29Å; M25-K59 WeakPolarHBondContact O-CD 3.35Å; M25-K59 PolarHBondContact O-NZ 3.44Å; V27-K59 VanDerWaalsContact C-NZ 3.28Å; V27-K59 WeakPolarHBondContact O-CD 3.44Å; V27-K59 WeakPolarHBondContact O-CE 3.37Å; V27-K59 PolarHBondContact O-NZ 3.44Å; D28-K59 WeakPolarHBondContact OD1-CE 3.49Å; D28-K59 IonicContact OD1-NZ 2.78Å; D28-K59 PolarHBondContact OD1-NZ 3.29Å; I33-K59 HydrophobicContact CD1-CB 4.15Å; I33-K59 HydrophobicContact CD1-CG 4.24Å; L55-K59 PolarHBondContact O-N 2.86Å; I56-K59 PolarHBondContact O-N 3.2Å; K59-R61 VanDerWaalsContact C-N 3.27Å; K59-R61 PolarHBondContact O-N 2.82Å; K59-R62 PolarHBondContact O-N 3.12Å; K59-S63 PolarHBondContact O-N 2.97Å; K59-S63 PolarHBondContact O-OG 3.04Å
60	I	81.4	Confident	68.8	Low	91 Å²	91	85.5 Å²	85.5	47%	0.467	45%	0.447	S	S	.	.	H	α-helix	trans	-56.6	-42.1	176.4	-66.8	165.6	0	0	0	110.9	I56 R62 S63 G64	I56-I60 HydrophobicContact CG2-CD1 3.77Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.28Å; I56-I60 PolarHBondContact O-N 3.14Å; I60-R62 PolarHBondContact O-N 3.44Å; I60-S63 PolarHBondContact O-OG 3.27Å; I60-G64 PolarHBondContact O-N 3.17Å
61	R	80.8	Confident	66.3	Low	150 Å²	150	93.4 Å²	93.4	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-64.2	-24	177	-163.2	-169.3	66.7	73.3	-0.1	113.6	R57 E58 K59	R57-R61 WeakPolarHBondContact O-CB 3.48Å; R57-R61 PolarHBondContact O-N 3.44Å; E58-R61 VanDerWaalsContact CD-NH2 3.29Å; E58-R61 PolarHBondContact O-N 3.06Å; E58-R61 IonicContact OE1-CZ 3.34Å; E58-R61 IonicContact OE1-NE 2.58Å; E58-R61 IonicContact OE1-NH2 3.06Å; E58-R61 PolarHBondContact OE1-NH2 3.42Å; E58-R61 IonicContact OE2-CZ 3.7Å; E58-R61 IonicContact OE2-NE 3.74Å; E58-R61 PolarHBondContact OE2-NE 3.32Å; E58-R61 IonicContact OE2-NH2 2.72Å; E58-R61 PolarHBondContact OE2-NH2 3.31Å; K59-R61 VanDerWaalsContact C-N 3.27Å; K59-R61 PolarHBondContact O-N 2.82Å
62	R	72.6	Confident	63.5	Low	123 Å²	123	102.7 Å²	102.7	46%	0.464	51%	0.514	S	S	.	.	H	α-helix	trans	-94.8	-39.7	177.3	-67.1	-167.2	-159.7	-176.8	2.5	113.5	M25 E58 K59 I60 G64 F65	M25-R62 HydrophobicContact CE-CB 4.46Å; M25-R62 HydrophobicContact CE-CG 4.18Å; E58-R62 WeakPolarHBondContact O-CG 3.16Å; E58-R62 PolarHBondContact O-N 3.49Å; E58-R62 VanDerWaalsContact O-N 3.16Å; E58-R62 IonicContact OE1-CZ 2.77Å; E58-R62 VanDerWaalsContact OE1-CZ 3.22Å; E58-R62 IonicContact OE1-NE 3.93Å; E58-R62 PolarHBondContact OE1-NE 2.98Å; E58-R62 IonicContact OE1-NH2 3.9Å; E58-R62 PolarHBondContact OE1-NH2 3.01Å; K59-R62 PolarHBondContact O-N 3.12Å; I60-R62 PolarHBondContact O-N 3.44Å; R62-G64 VanDerWaalsContact C-N 3.26Å; R62-G64 PolarHBondContact O-N 2.97Å; R62-F65 PolarHBondContact O-N 3.26Å
63	S	68.1	Low	61	Low	67 Å²	67	106.1 Å²	106.1	47%	0.469	54%	0.542	S	S	.	.	H	α-helix	trans	-66	-31.8	174.4	55.5	0	0	0	0	111.8	K59 I60 F65 S66	K59-S63 PolarHBondContact O-N 2.97Å; K59-S63 PolarHBondContact O-OG 3.04Å; I60-S63 PolarHBondContact O-OG 3.27Å; S63-F65 PolarHBondContact O-N 3.03Å; S63-F65 VanDerWaalsContact O-N 3.1Å; S63-S66 PolarHBondContact O-OG 3.14Å
64	G	57.9	Low	58.3	Low	67 Å²	67	109.3 Å²	109.3	69%	0.691	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	8.2	168.8	0	0	0	0	0	115.7	I60 R62	I60-G64 PolarHBondContact O-N 3.17Å; R62-G64 VanDerWaalsContact C-N 3.26Å; R62-G64 PolarHBondContact O-N 2.97Å
65	F	49	Very low	55.6	Low	182 Å²	182	113.3 Å²	113.3	80%	0.798	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	8.6	-176.9	-141.8	-96.8	0	0	0	114.3	R62 S63 G67	R62-F65 PolarHBondContact O-N 3.26Å; S63-F65 PolarHBondContact O-N 3.03Å; S63-F65 VanDerWaalsContact O-N 3.1Å; F65-G67 PolarHBondContact O-N 2.92Å
66	S	40.8	Very low	53.1	Low	104 Å²	104	120.6 Å²	120.6	73%	0.727	63%	0.629	S	S	*	*	S	Bend	trans	-97.9	73.5	178.9	57.4	0	0	0	0	112.2	S63	S63-S66 PolarHBondContact O-OG 3.14Å
67	G	36.3	Very low	50.4	Low	63 Å²	63	123.9 Å²	123.9	65%	0.649	66%	0.661	S	S	*	*	S	Bend	trans	171	139.9	173.9	0	0	0	0	0	113.2	F65	F65-G67 PolarHBondContact O-N 2.92Å
68	E	34.3	Very low	47.8	Very low	178 Å²	178	118 Å²	118	83%	0.832	66%	0.658	S	S	*	*			trans	47.7	73.8	166.6	-58	-167.3	152.5	0	0	117	Y70	E68-Y70 PolarHBondContact O-N 3.31Å
69	G	28	Very low	45.5	Very low	80 Å²	80	124.2 Å²	124.2	83%	0.825	70%	0.697	S	S	*	*			trans	-67.6	112.1	171.6	0	0	0	0	0	113.1
70	Y	33.3	Very low	43.3	Very low	227 Å²	227	130.1 Å²	130.1	89%	0.89	73%	0.729	S	S	*	*			trans	-72.7	132.7	167.7	-106.6	-99.1	0	0	0	111.4	E68	E68-Y70 PolarHBondContact O-N 3.31Å
71	R	32.2	Very low	40.9	Very low	236 Å²	236	131.9 Å²	131.9	89%	0.891	74%	0.739	S	S	*	*			trans	-62.9	139	176.5	-68.4	177.8	174.1	177	-3.3	110.4	S73	R71-S73 PolarHBondContact O-N 3.47Å; R71-S73 VanDerWaalsContact O-N 3.08Å
72	K	28.5	Very low	38.6	Very low	194 Å²	194	131.2 Å²	131.2	84%	0.843	75%	0.747	S	S	*	*			trans	-60.7	109.4	163	-79.5	-176.8	174	-179.6	0	109.4
73	S	34.4	Very low	36.7	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	76%	0.76	S	S	*	*			trans	-74.9	120.1	153.8	38.7	0	0	0	0	108.2	R71 C75	R71-S73 PolarHBondContact O-N 3.47Å; R71-S73 VanDerWaalsContact O-N 3.08Å; S73-C75 PolarHBondContact O-N 3.15Å
74	N	29.3	Very low	35.2	Very low	138 Å²	138	135 Å²	135	74%	0.738	78%	0.775	S	S	*	*			trans	-76.7	90.6	178.6	-77.8	-15.6	0	0	0	110.3	I76	N74-I76 PolarHBondContact O-N 3.05Å; N74-I76 VanDerWaalsContact O-N 3.17Å
75	C	32	Very low	34.2	Very low	120 Å²	120	137.8 Å²	137.8	81%	0.811	78%	0.779	S	S	*	*			trans	-74.5	96.6	162.3	-59.5	0	0	0	0	108.1	S73	S73-C75 PolarHBondContact O-N 3.15Å
76	I	34.3	Very low	33.6	Very low	154 Å²	154	134.8 Å²	134.8	79%	0.79	78%	0.777	S	S	*	*			trans	-65.8	132.5	-170.1	-64.6	168.8	0	0	0	111.2	N74	N74-I76 PolarHBondContact O-N 3.05Å; N74-I76 VanDerWaalsContact O-N 3.17Å
77	A	30.8	Very low	33.6	Very low	102 Å²	102	134.9 Å²	134.9	84%	0.843	78%	0.776	S	S	*	*			trans	-109.3	104.7	171.2	0	0	0	0	0	110.9
78	G	31.2	Very low	33.6	Very low	63 Å²	63	137.9 Å²	137.9	65%	0.649	78%	0.777	S	S	*	*			trans	102.2	173.5	152.4	0	0	0	0	0	119
79	V	36.2	Very low	33.6	Very low	149 Å²	149	136.7 Å²	136.7	90%	0.903	77%	0.769	S	S	*	*			trans	79.1	135.7	172.7	-166.8	0	0	0	0	116.6
80	L	36.9	Very low	34.2	Very low	142 Å²	142	140.4 Å²	140.4	74%	0.743	77%	0.768	S	S	*	*			trans	-93.8	164.1	-175.6	-64.4	93.8	0	0	0	112.7
81	N	31.8	Very low	34.2	Very low	129 Å²	129	133.9 Å²	133.9	69%	0.69	76%	0.756	S	S	*	*			trans	72.1	108.3	148.5	-63.8	-5.9	0	0	0	120.6
82	N	32	Very low	34.4	Very low	136 Å²	136	129 Å²	129	73%	0.727	75%	0.747	S	S	*	*				87.6	129.7	123	-67	3.9	0	0	0	123.1
83	T	34	Very low	34.7	Very low	121 Å²	121	124.3 Å²	124.3	74%	0.742	74%	0.739	S	S	*	*			trans	82.3	118.2	140.9	39.6	0	0	0	0	122.7
84	L	36.3	Very low	35.1	Very low	147 Å²	147	128.3 Å²	128.3	77%	0.77	75%	0.746	S	S	*	*			trans	82.8	82.4	135.7	-63.9	167	0	0	0	121.7
85	T	35.6	Very low	35.2	Very low	126 Å²	126	130.9 Å²	130.9	77%	0.773	75%	0.751	S	S	*	*				65.9	141.3	121.9	47.9	0	0	0	0	123.4
86	P	37.1	Very low	35.5	Very low	119 Å²	119	131 Å²	131	77%	0.773	75%	0.747	S	S	*	*			trans	-115	-144.8	-180	48.2	-36.1	0	0	0	111
87	P	40.8	Very low	35.5	Very low	107 Å²	107	130.3 Å²	130.3	70%	0.695	75%	0.746	S	S	*	*			cis	-134.8	176.1	-20.5	41.1	-25.3	0	0	0	115.4
88	D	36.1	Very low	35.7	Very low	126 Å²	126	131.5 Å²	131.5	67%	0.674	74%	0.742	S	S	*	*			trans	172.3	165.6	147.1	-106.7	11.1	0	0	0	112.7
89	K	35.6	Very low	36.1	Very low	153 Å²	153	136.6 Å²	136.6	67%	0.665	75%	0.749	S	S	*	*			cis	-166	-178.9	-23.7	-134.2	-175.2	-151.1	77	0	110.8
90	I	39.2	Very low	36	Very low	158 Å²	158	137.3 Å²	137.3	81%	0.81	74%	0.743	S	S	*	*			trans	76.6	170.4	155.1	-73.2	162.9	0	0	0	117.8
91	S	33	Very low	36.1	Very low	89 Å²	89	138.2 Å²	138.2	62%	0.622	75%	0.747	S	S	*	*			trans	-159.7	-160	-147	48.6	0	0	0	0	113.9
92	D	36.7	Very low	36.2	Very low	134 Å²	134	136.5 Å²	136.5	72%	0.717	75%	0.745	S	S	*	*			trans	80.9	151.1	159.6	-73.4	86.6	0	0	0	119.8
93	S	34.7	Very low	36.2	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	75%	0.749	S	S	*	*			cis	-166.6	-171.8	-19.6	-116.8	0	0	0	0	113.1
94	E	42.9	Very low	36.5	Very low	185 Å²	185	139 Å²	139	86%	0.864	76%	0.757	S	S	*	*			trans	75.9	164.7	162.9	-52.9	-160.3	122.4	0	0	121
95	K	32.4	Very low	36.3	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	76%	0.761	S	S	*	*				-163.6	173.5	-66.1	-134.9	-176.3	-177.5	-177.3	0	111.9
96	V	37.1	Very low	36.2	Very low	121 Å²	121	137.2 Å²	137.2	73%	0.733	76%	0.762	S	S	*	*			trans	87.4	178.2	166	176.5	0	0	0	0	116.6
97	D	35.6	Very low	36.3	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	77%	0.767	S	S	*	*				-155.5	-174.6	-129.6	-59.5	-65.7	0	0	0	109.2
98	V	35.3	Very low	36.1	Very low	127 Å²	127	146.3 Å²	146.3	77%	0.77	78%	0.778	S	S	*	*			cis	-152.9	170	2.1	89.7	0	0	0	0	106.1
99	E	38	Very low	36.1	Very low	170 Å²	170	143.5 Å²	143.5	79%	0.794	78%	0.779	S	S	*	*				-169.4	-153.5	63.6	-158.8	149.6	-139.2	0	0	111.3
100	Q	35.5	Very low	36.6	Very low	164 Å²	164	148 Å²	148	77%	0.766	79%	0.792	S	S	*	*			trans	-105	149.3	-158.3	-53.4	170.4	12.5	0	0	115.7
101	L	37.7	Very low	37	Very low	160 Å²	160	149.1 Å²	149.1	84%	0.838	79%	0.794	S	S	*	*				-168.4	133.1	122.3	-128.3	73.9	0	0	0	115.6
102	S	35	Very low	37.6	Very low	93 Å²	93	154.2 Å²	154.2	65%	0.65	81%	0.805	S	S	*	*			trans	35.8	92.3	149.7	62.8	0	0	0	0	122.7
103	S	32.4	Very low	38.1	Very low	116 Å²	116	154.5 Å²	154.5	81%	0.811	81%	0.812	S	S	*	*				41.3	89.4	114.5	-51.7	0	0	0	0	122
104	Q	40.5	Very low	38.6	Very low	195 Å²	195	158.2 Å²	158.2	91%	0.911	82%	0.816	S	S	*	*			trans	-140.1	115.4	138.9	-72.6	-161	17.9	0	0	111.3	A106	Q104-A106 PolarHBondContact O-N 3.46Å
105	T	30.1	Very low	38.9	Very low	139 Å²	139	158.7 Å²	158.7	85%	0.853	82%	0.815	S	S	*	*			trans	-93.7	77.3	-170	43.4	0	0	0	0	113.7	K107	T105-K107 PolarHBondContact O-N 2.9Å
106	A	34.8	Very low	39.6	Very low	95 Å²	95	156.9 Å²	156.9	79%	0.785	80%	0.804	S	S	*	*			trans	-64.7	113.5	171.5	0	0	0	0	0	111.6	Q104 K108	Q104-A106 PolarHBondContact O-N 3.46Å; A106-K108 PolarHBondContact O-N 3.09Å; A106-K108 VanDerWaalsContact O-N 3.16Å
107	K	39	Very low	40.5	Very low	203 Å²	203	154.9 Å²	154.9	88%	0.883	79%	0.793	S	S	*	*			trans	-67	109.6	-175.3	-65.7	174.1	-178.4	173	0	111.5	T105 G109	T105-K107 PolarHBondContact O-N 2.9Å; K107-G109 PolarHBondContact O-N 2.98Å
108	K	36.3	Very low	41.2	Very low	215 Å²	215	153 Å²	153	94%	0.935	78%	0.783	S	S	*	*			trans	-65.3	93.6	169.5	-75.9	-176.9	176.6	176.3	0	110.5	A106	A106-K108 PolarHBondContact O-N 3.09Å; A106-K108 VanDerWaalsContact O-N 3.16Å
109	G	37.4	Very low	41.9	Very low	67 Å²	67	154.7 Å²	154.7	69%	0.691	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.6	130.6	175.6	0	0	0	0	0	111.9	K107 Q111	K107-G109 PolarHBondContact O-N 2.98Å; G109-Q111 PolarHBondContact O-N 3.09Å
110	R	44.3	Very low	42.6	Very low	246 Å²	246	150 Å²	150	93%	0.928	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.2	119.1	164.2	-89.9	178.1	160.6	172.5	-6.6	108.5	K112	R110-K112 PolarHBondContact O-N 3.01Å
111	Q	49.2	Very low	43.3	Very low	182 Å²	182	149.4 Å²	149.4	85%	0.85	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-60.7	125.4	167.9	-72.3	-166.1	4	0	0	108.8	G109	G109-Q111 PolarHBondContact O-N 3.09Å
112	K	44.1	Very low	44	Very low	196 Å²	196	145.2 Å²	145.2	85%	0.852	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-71.4	131.8	171.2	-67.8	-179.1	178	-179.9	0	108.2	R110 K114	R110-K112 PolarHBondContact O-N 3.01Å; K112-K114 PolarHBondContact O-N 3.34Å; K112-K114 VanDerWaalsContact O-N 3.08Å
113	T	48.1	Very low	44.7	Very low	141 Å²	141	141.4 Å²	141.4	87%	0.865	73%	0.732	S	S	*	*			trans	-57.8	112.4	171.6	41.1	0	0	0	0	109.6	F115	T113-F115 PolarHBondContact O-N 2.87Å
114	K	45.8	Very low	45.7	Very low	173 Å²	173	143.8 Å²	143.8	75%	0.752	73%	0.731	S	S	*	*			trans	-69	101.1	175.1	-102.1	-173.6	174.5	-178.5	0	109	K112 Y116	K112-K114 PolarHBondContact O-N 3.34Å; K112-K114 VanDerWaalsContact O-N 3.08Å; K114-Y116 HydrophobicContact CB-CD2 4.37Å; K114-Y116 HydrophobicContact CB-CE2 4.34Å; K114-Y116 HydrophobicContact CD-CE2 4.19Å; K114-Y116 PolarHBondContact O-N 3.01Å; K114-Y116 VanDerWaalsContact O-N 3.14Å
115	F	48.2	Very low	46.3	Very low	195 Å²	195	136.3 Å²	136.3	86%	0.855	71%	0.705	S	S	*	*			trans	-71.1	104.1	172.3	-166.9	-87.4	0	0	0	109.3	T113	T113-F115 PolarHBondContact O-N 2.87Å
116	Y	47.7	Very low	47.5	Very low	156 Å²	156	135.3 Å²	135.3	61%	0.612	70%	0.695	S	S	*	*			trans	-82.3	126.7	172.4	-95.8	-98	0	0	0	109.9	K114 L118	K114-Y116 HydrophobicContact CB-CD2 4.37Å; K114-Y116 HydrophobicContact CB-CE2 4.34Å; K114-Y116 HydrophobicContact CD-CE2 4.19Å; K114-Y116 PolarHBondContact O-N 3.01Å; K114-Y116 VanDerWaalsContact O-N 3.14Å; Y116-L118 PolarHBondContact O-N 3.29Å
117	P	55.7	Low	48.6	Very low	78 Å²	78	139.7 Å²	139.7	51%	0.506	70%	0.699	S	S	.	*			trans	-64.5	118.3	170	-17.5	31.1	0	0	0	109.6	F119	P117-F119 PolarHBondContact O-N 3.17Å; P117-F119 VanDerWaalsContact O-N 3.11Å
118	L	49.8	Very low	49.5	Very low	103 Å²	103	135.9 Å²	135.9	54%	0.539	69%	0.688	S	S	.	*	S	Bend	trans	-65.3	-11.8	178.2	-63.1	174.4	0	0	0	113.5	Y116	Y116-L118 PolarHBondContact O-N 3.29Å
119	F	51.4	Low	50.8	Low	161 Å²	161	127.2 Å²	127.2	71%	0.706	65%	0.653	S	S	*	*			trans	-131.2	75.7	-174.6	-54.6	-71.3	0	0	0	110.6	P117 E121	P117-F119 PolarHBondContact O-N 3.17Å; P117-F119 VanDerWaalsContact O-N 3.11Å; F119-E121 PolarHBondContact O-N 3.44Å
120	C	51.1	Low	52.3	Low	71 Å²	71	127.9 Å²	127.9	48%	0.48	65%	0.647	S	S	.	*			trans	-86.6	100	171.8	-77.2	0	0	0	0	110.6	G122 A123	C120-G122 PolarHBondContact O-N 2.91Å; C120-G122 VanDerWaalsContact O-N 3.17Å; C120-A123 HydrophobicContact CB-CB 4.06Å; C120-A123 PolarHBondContact O-N 3.28Å; C120-A123 VanDerWaalsContact O-N 3.12Å
121	E	51.8	Low	54.1	Low	152 Å²	152	120.2 Å²	120.2	71%	0.71	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	114.4	171.1	-55.7	-158.4	107.8	0	0	110.1	F119 K144	F119-E121 PolarHBondContact O-N 3.44Å; E121-K144 IonicContact OE1-NZ 3.48Å; E121-K144 PolarHBondContact OE1-NZ 3.4Å
122	G	52.4	Low	55.7	Low	72 Å²	72	114.6 Å²	114.6	74%	0.742	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.9	-9.8	-172.2	0	0	0	0	0	114.8	C120 Q124	C120-G122 PolarHBondContact O-N 2.91Å; C120-G122 VanDerWaalsContact O-N 3.17Å; G122-Q124 PolarHBondContact O-N 2.91Å
123	A	48.4	Very low	57.6	Low	13 Å²	13	110.6 Å²	110.6	11%	0.107	59%	0.594	C	S	.	*			trans	-74.1	117.9	170.8	0	0	0	0	0	110.7	C120 L128 V129	C120-A123 HydrophobicContact CB-CB 4.06Å; C120-A123 PolarHBondContact O-N 3.28Å; C120-A123 VanDerWaalsContact O-N 3.12Å; A123-L128 HydrophobicContact CB-CB 3.87Å; A123-V129 HydrophobicContact CB-CG2 3.66Å; A123-V129 WeakPolarHBondContact O-CG2 3.34Å
124	Q	52.6	Low	59.3	Low	167 Å²	167	106.5 Å²	106.5	78%	0.78	58%	0.579	S	S	*	*			trans	-109.2	137.3	173	-65.2	-178.1	2.8	0	0	110	G122	G122-Q124 PolarHBondContact O-N 2.91Å
125	G	54.1	Low	61.4	Low	37 Å²	37	100.3 Å²	100.3	38%	0.381	55%	0.551	S	S	.	*	S	Bend	trans	83.8	162.6	174.5	0	0	0	0	0	116.2	Q127 L128	G125-Q127 PolarHBondContact O-N 3.43Å; G125-L128 PolarHBondContact O-N 2.88Å
126	D	55.5	Low	63.3	Low	119 Å²	119	93 Å²	93	64%	0.636	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.5	-167	-61.1	-19.1	0	0	0	115.5
127	Q	57.3	Low	65.2	Low	187 Å²	187	88 Å²	88	87%	0.874	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.7	-177.9	-85	-175.3	-26.1	0	0	114.8	G125	G125-Q127 PolarHBondContact O-N 3.43Å
128	L	57.7	Low	66.6	Low	123 Å²	123	85.1 Å²	85.1	64%	0.644	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-2.8	-172.9	-77.4	166.1	0	0	0	114.9	A123 G125	A123-L128 HydrophobicContact CB-CB 3.87Å; G125-L128 PolarHBondContact O-N 2.88Å
129	V	64.7	Low	68.3	Low	33 Å²	33	88.7 Å²	88.7	20%	0.2	50%	0.501	C	S	.	.			trans	-117	107.7	-179.5	-170	0	0	0	0	110.3	A123 L131 H145	A123-V129 HydrophobicContact CB-CG2 3.66Å; A123-V129 WeakPolarHBondContact O-CG2 3.34Å; V129-L131 PolarHBondContact O-N 3.45Å; V129-H145 VanDerWaalsContact CG1-CD2 3.42Å; V129-H145 WeakPolarHBondContact CG1-CD2 3.42Å; V129-H145 WeakPolarHBondContact CG1-NE2 3.28Å
130	S	68.5	Low	69.9	Low	80 Å²	80	81.7 Å²	81.7	56%	0.559	47%	0.472	S	S	*	.			trans	-74.2	105.7	179.9	-56.6	0	0	0	0	111.3	L132	S130-L132 PolarHBondContact O-N 2.89Å
131	L	81.2	Confident	71.6	Confident	85 Å²	85	82.5 Å²	82.5	45%	0.445	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-63.4	126.1	171.7	-64.6	175.5	0	0	0	110.6	V129 H145 A160 Q161	V129-L131 PolarHBondContact O-N 3.45Å; L131-H145 HydrophobicContact CD2-CB 4.42Å; L131-A160 HydrophobicContact CD1-CB 4.01Å; L131-A160 HydrophobicContact CD2-CB 4.21Å; L131-Q161 HydrophobicContact CD2-CB 3.94Å
132	L	83.3	Confident	73.1	Confident	65 Å²	65	76.7 Å²	76.7	34%	0.34	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-72.9	146.2	175.8	-66.6	164.6	0	0	0	110.6	S130 G134 H136 Q161	S130-L132 PolarHBondContact O-N 2.89Å; L132-G134 PolarHBondContact O-N 3.34Å; L132-H136 VanDerWaalsContact CB-CD2 3.44Å; L132-H136 WeakPolarHBondContact CB-CD2 3.48Å; L132-H136 WeakPolarHBondContact CB-NE2 3.36Å; L132-Q161 PolarHBondContact O-NE2 2.92Å
133	P	83.8	Confident	74.6	Confident	112 Å²	112	77.9 Å²	77.9	73%	0.727	44%	0.442	S	S	*	.	S	Bend	trans	-72.1	123.5	-170.2	27.8	-34.9	0	0	0	113.2
134	G	84.2	Confident	76.2	Confident	54 Å²	54	81.4 Å²	81.4	56%	0.557	46%	0.455	S	S	*	.	S	Bend	trans	91.5	-175.4	-175.8	0	0	0	0	0	112.3	L132 Q161	L132-G134 PolarHBondContact O-N 3.34Å; G134-Q161 PolarHBondContact O-NE2 2.82Å
135	R	90.1	Very high	77.8	Confident	44 Å²	44	74.7 Å²	74.7	17%	0.166	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-84.5	130	179.9	-49.9	-168.6	178.5	-67.3	5.4	110	E162 G163 S164 A201 A202 W203 A204	R135-E162 WeakPolarHBondContact CB-O 3.49Å; R135-E162 VanDerWaalsContact CD-O 3.26Å; R135-E162 WeakPolarHBondContact CD-O 3.16Å; R135-E162 VanDerWaalsContact CG-O 3.25Å; R135-E162 WeakPolarHBondContact CG-O 3.18Å; R135-E162 PolarHBondContact NH1-O 3.06Å; R135-G163 VanDerWaalsContact NH1-C 3.27Å; R135-G163 VanDerWaalsContact NH1-CA 3.26Å; R135-S164 PolarHBondContact NE-O 3.15Å; R135-S164 VanDerWaalsContact NE-O 3.11Å; R135-S164 VanDerWaalsContact NH1-N 3.18Å; R135-S164 PolarHBondContact NH1-O 2.88Å; R135-S164 PolarHBondContact NH2-O 2.68Å; R135-S164 PolarHBondContact NH2-OG 3.06Å; R135-A201 VanDerWaalsContact NE-CB 3.3Å; R135-A202 WeakPolarHBondContact CG-O 3.28Å; R135-W203 HydrophobicContact CB-CD2 4.1Å; R135-W203 HydrophobicContact CB-CE3 3.65Å; R135-W203 HydrophobicContact CB-CZ3 3.94Å; R135-A204 PolarHBondContact O-N 2.78Å
136	H	87.9	Confident	79.4	Confident	42 Å²	42	78.2 Å²	78.2	19%	0.194	43%	0.43	C	S	.	.			trans	-128	139.3	172.8	-68.3	-4.4	0	0	0	109.6	L132 C138 Q161 E162 A204 T207	L132-H136 VanDerWaalsContact CB-CD2 3.44Å; L132-H136 WeakPolarHBondContact CB-CD2 3.48Å; L132-H136 WeakPolarHBondContact CB-NE2 3.36Å; H136-C138 PolarHBondContact O-N 3.25Å; H136-Q161 HydrophobicContact CB-CG 4.14Å; H136-Q161 PolarHBondContact N-O 2.92Å; H136-Q161 CarbonylContact O-C 3.55Å; H136-E162 WeakPolarHBondContact O-CG 3.09Å; H136-A204 WeakPolarHBondContact CE1-CB 3.32Å; H136-A204 WeakPolarHBondContact ND1-CB 3.33Å; H136-T207 HydrophobicContact CB-CG2 4.37Å; H136-T207 WeakPolarHBondContact ND1-CG2 3.33Å
137	P	87.9	Confident	81.1	Confident	49 Å²	49	76.5 Å²	76.5	32%	0.318	42%	0.42	S	S	.	.			trans	-58.5	131.6	174.2	23.8	-32	0	0	0	109.9	Y168	P137-Y168 HydrophobicContact CB-CD1 4.23Å; P137-Y168 HydrophobicContact CB-CD2 3.79Å; P137-Y168 HydrophobicContact CB-CE1 4.07Å; P137-Y168 HydrophobicContact CB-CE2 3.64Å; P137-Y168 HydrophobicContact CB-CG 4.11Å; P137-Y168 HydrophobicContact CG-CE2 4.02Å
138	C	86	Confident	82.7	Confident	19 Å²	19	68.4 Å²	68.4	13%	0.128	38%	0.384	C	S	.	.			trans	-137.7	114.6	-177	-165.5	0	0	0	0	111.1	H136 C140 H145 R156 Q161 E162	H136-C138 PolarHBondContact O-N 3.25Å; C138-C140 PolarHBondContact O-N 3.23Å; C138-C140 VanDerWaalsContact SG-SG 3.66Å; C138-H145 PolarHBondContact SG-CE1 3.01Å; C138-H145 PolarHBondContact SG-ND1 3.32Å; C138-R156 PolarHBondContact O-NH2 2.75Å; C138-R156 VanDerWaalsContact O-NH2 3.14Å; C138-Q161 HydrophobicContact CB-CB 4.1Å; C138-Q161 HydrophobicContact CB-CG 4.2Å; C138-E162 HydrophobicContact CB-CG 3.96Å; C138-E162 PolarHBondContact N-OE1 3.29Å
139	Q	85.5	Confident	84.3	Confident	177 Å²	177	64.4 Å²	64.4	83%	0.827	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	12.6	-178.7	-59.1	-179	1.8	0	0	113.2	L141	Q139-L141 VanDerWaalsContact C-N 3.27Å; Q139-L141 PolarHBondContact O-N 3.49Å
140	C	85.1	Confident	85.6	Confident	14 Å²	14	66.2 Å²	66.2	10%	0.095	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.8	-174.3	80.1	0	0	0	0	114.6	C138 A142 T143 K144 C159	C138-C140 PolarHBondContact O-N 3.23Å; C138-C140 VanDerWaalsContact SG-SG 3.66Å; C140-A142 PolarHBondContact O-N 2.83Å; C140-A142 VanDerWaalsContact O-N 3.12Å; C140-T143 WeakPolarHBondContact O-CB 3.25Å; C140-T143 WeakPolarHBondContact O-CG2 3.35Å; C140-T143 PolarHBondContact O-N 2.94Å; C140-T143 PolarHBondContact O-OG1 3.03Å; C140-K144 HydrophobicContact CB-CB 3.78Å; C140-K144 HydrophobicContact CB-CD 4.37Å; C140-K144 HydrophobicContact CB-CG 4.03Å; C140-C159 PolarHBondContact SG-SG 3.21Å
141	L	85.5	Confident	86.7	Confident	89 Å²	89	62.5 Å²	62.5	47%	0.466	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.9	179.8	-58.7	174.7	0	0	0	112.9	Q139 T143 I157	Q139-L141 VanDerWaalsContact C-N 3.27Å; Q139-L141 PolarHBondContact O-N 3.49Å; L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 3.31Å; L141-I157 HydrophobicContact CB-CB 4.34Å; L141-I157 HydrophobicContact CB-CD1 4.44Å; L141-I157 HydrophobicContact CD2-CB 4.11Å
142	A	84.3	Confident	87	Confident	29 Å²	29	65 Å²	65	24%	0.24	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	10.6	-174.2	0	0	0	0	0	117.5	C140 H145 L147 I157 C159	C140-A142 PolarHBondContact O-N 2.83Å; C140-A142 VanDerWaalsContact O-N 3.12Å; A142-H145 CarbonylContact C-O 3.34Å; A142-H145 VanDerWaalsContact CA-O 3.25Å; A142-H145 WeakPolarHBondContact CA-O 3.49Å; A142-L147 HydrophobicContact CB-CB 3.89Å; A142-L147 HydrophobicContact CB-CD1 3.91Å; A142-I157 HydrophobicContact CB-CG2 3.84Å; A142-C159 HydrophobicContact CB-CB 4.22Å
143	T	84.1	Confident	87.3	Confident	97 Å²	97	66.6 Å²	66.6	60%	0.595	37%	0.367	S	S	*	.	S	Bend	trans	-74.2	-31.4	174.6	61.8	0	0	0	0	114.3	C140 L141	C140-T143 WeakPolarHBondContact O-CB 3.25Å; C140-T143 WeakPolarHBondContact O-CG2 3.35Å; C140-T143 PolarHBondContact O-N 2.94Å; C140-T143 PolarHBondContact O-OG1 3.03Å; L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 3.31Å
144	K	81	Confident	87.5	Confident	88 Å²	88	63.3 Å²	63.3	38%	0.383	35%	0.347	S	S	.	.	S	Bend	trans	-107.6	-17.1	-178.4	-61.8	-175.2	177.1	-176.7	0	113.8	E121 C140	E121-K144 IonicContact OE1-NZ 3.48Å; E121-K144 PolarHBondContact OE1-NZ 3.4Å; C140-K144 HydrophobicContact CB-CB 3.78Å; C140-K144 HydrophobicContact CB-CD 4.37Å; C140-K144 HydrophobicContact CB-CG 4.03Å
145	H	85.5	Confident	87.7	Confident	26 Å²	26	63.3 Å²	63.3	12%	0.12	35%	0.347	C	S	.	.	S	Bend	trans	-138.6	145.6	-178.6	-54.6	122.9	0	0	0	109.2	V129 L131 C138 A142 C159 A160 Q161	V129-H145 VanDerWaalsContact CG1-CD2 3.42Å; V129-H145 WeakPolarHBondContact CG1-CD2 3.42Å; V129-H145 WeakPolarHBondContact CG1-NE2 3.28Å; L131-H145 HydrophobicContact CD2-CB 4.42Å; C138-H145 PolarHBondContact SG-CE1 3.01Å; C138-H145 PolarHBondContact SG-ND1 3.32Å; A142-H145 CarbonylContact C-O 3.34Å; A142-H145 VanDerWaalsContact CA-O 3.25Å; A142-H145 WeakPolarHBondContact CA-O 3.49Å; H145-C159 HydrophobicContact CB-CB 3.94Å; H145-A160 HydrophobicContact CB-CB 4.36Å; H145-Q161 WeakPolarHBondContact ND1-CB 3.4Å
146	Q	87.9	Confident	87.6	Confident	111 Å²	111	63.7 Å²	63.7	52%	0.519	35%	0.349	S	S	.	.			trans	-50.1	139.4	-178.9	-176.1	53.2	44.1	0	0	113	C159 A160	Q146-C159 CarbonylContact O-C 3.57Å; Q146-C159 WeakPolarHBondContact O-CA 3.26Å; Q146-A160 HydrophobicContact CB-CB 4.41Å; Q146-A160 PolarHBondContact O-N 3.45Å
147	L	91.4	Very high	87.8	Confident	82 Å²	82	64.4 Å²	64.4	43%	0.429	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.4	176.1	178.4	63.2	0	0	0	110.8	A142 I157	A142-L147 HydrophobicContact CB-CB 3.89Å; A142-L147 HydrophobicContact CB-CD1 3.91Å; L147-I157 HydrophobicContact CD1-CG2 3.44Å; L147-I157 VanDerWaalsContact CD1-CG2 3.44Å
148	V	91.2	Very high	87.9	Confident	18 Å²	18	62.2 Å²	62.2	11%	0.109	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-67.3	169.1	172.4	0	0	0	0	108.6	V158 C159 T176	V148-V158 HydrophobicContact CB-CB 4.49Å; V148-V158 HydrophobicContact CB-CG1 4.3Å; V148-V158 WeakPolarHBondContact CB-O 3.35Å; V148-V158 PolarHBondContact N-O 2.85Å; V148-C159 VanDerWaalsContact CG2-C 3.47Å; V148-T176 HydrophobicContact CG1-CG2 4.02Å
149	N	92.5	Very high	88.2	Confident	38 Å²	38	61.3 Å²	61.3	20%	0.203	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	173.5	175.5	-157.9	-15.1	0	0	0	108.9	V158 V174 C175 E180	N149-V158 WeakPolarHBondContact O-CB 3.41Å; N149-V158 PolarHBondContact O-N 3.18Å; N149-V174 HydrophobicContact CB-CG1 3.77Å; N149-C175 WeakPolarHBondContact CB-O 3.31Å; N149-C175 PolarHBondContact ND2-O 2.77Å; N149-E180 PolarHBondContact ND2-OE2 2.9Å; N149-E180 VanDerWaalsContact ND2-OE2 3.15Å
150	N	91.7	Very high	88.5	Confident	71 Å²	71	54.5 Å²	54.5	38%	0.38	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141	176.4	-67	-14.1	0	0	0	111.1	L152	N150-L152 PolarHBondContact O-N 3.03Å
151	C	90.6	Very high	88.7	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.014	31%	0.305	C	S	.	.			trans	-76.2	99	176.3	-169.2	0	0	0	0	111.3	N153 C154 G155 R156 C167 V174	C151-N153 PolarHBondContact O-N 3.34Å; C151-C154 PolarHBondContact O-N 3.46Å; C151-G155 PolarHBondContact O-N 3.06Å; C151-R156 HydrophobicContact CB-CB 4.5Å; C151-R156 WeakPolarHBondContact CB-O 3.47Å; C151-R156 PolarHBondContact N-O 3.23Å; C151-C167 HydrophobicContact CB-CB 4.24Å; C151-V174 HydrophobicContact CB-CG2 3.72Å
152	L	88.5	Confident	89	Confident	137 Å²	137	50.3 Å²	50.3	72%	0.717	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-17.1	-176.4	-55	-179.1	0	0	0	115.4	N150	N150-L152 PolarHBondContact O-N 3.03Å
153	N	88.1	Confident	89.3	Confident	99 Å²	99	49.5 Å²	49.5	53%	0.529	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-31.7	179.6	-169.8	90.8	0	0	0	114.4	C151 N172	C151-N153 PolarHBondContact O-N 3.34Å; N153-N172 HydrophobicContact CB-CB 4.06Å; N153-N172 VanDerWaalsContact CB-ND2 3.28Å; N153-N172 WeakPolarHBondContact CB-ND2 3.43Å; N153-N172 PolarHBondContact OD1-ND2 2.87Å; N153-N172 VanDerWaalsContact OD1-ND2 3.09Å
154	C	89.4	Confident	89.7	Confident	43 Å²	43	45.5 Å²	45.5	29%	0.291	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	13.9	-173.7	75.5	0	0	0	0	114.4	C151 R156 Y169 C170	C151-C154 PolarHBondContact O-N 3.46Å; C154-R156 PolarHBondContact O-N 3.46Å; C154-Y169 HydrophobicContact CB-CD1 4.1Å; C154-C170 HydrophobicContact CB-CB 4.06Å; C154-C170 PolarHBondContact SG-SG 3.11Å
155	G	88.4	Confident	90.3	Very high	55 Å²	55	41.4 Å²	41.4	57%	0.567	24%	0.237	S	C	*	.			trans	72	-24.8	177.2	0	0	0	0	0	116.1	C151 I157	C151-G155 PolarHBondContact O-N 3.06Å; G155-I157 PolarHBondContact O-N 3.35Å
156	R	88.2	Confident	90.6	Very high	52 Å²	52	40.6 Å²	40.6	20%	0.196	23%	0.233	C	C	.	.			trans	-52	121.6	-175.1	-175.5	-178.4	179.6	89.6	-2.7	112	C138 C151 C154 E162	C138-R156 PolarHBondContact O-NH2 2.75Å; C138-R156 VanDerWaalsContact O-NH2 3.14Å; C151-R156 HydrophobicContact CB-CB 4.5Å; C151-R156 WeakPolarHBondContact CB-O 3.47Å; C151-R156 PolarHBondContact N-O 3.23Å; C154-R156 PolarHBondContact O-N 3.46Å; R156-E162 IonicContact CZ-OE1 2.75Å; R156-E162 IonicContact NE-OE1 3.76Å; R156-E162 PolarHBondContact NE-OE1 2.82Å; R156-E162 IonicContact NE-OE2 2.82Å; R156-E162 PolarHBondContact NE-OE2 2.78Å; R156-E162 IonicContact NH2-OE1 3.79Å; R156-E162 PolarHBondContact NH2-OE1 3.19Å
157	I	90.5	Very high	90.8	Very high	56 Å²	56	35.4 Å²	35.4	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.5	171.8	-54.2	-176.5	0	0	0	108.8	L141 A142 L147 G155	L141-I157 HydrophobicContact CB-CB 4.34Å; L141-I157 HydrophobicContact CB-CD1 4.44Å; L141-I157 HydrophobicContact CD2-CB 4.11Å; A142-I157 HydrophobicContact CB-CG2 3.84Å; L147-I157 HydrophobicContact CD1-CG2 3.44Å; L147-I157 VanDerWaalsContact CD1-CG2 3.44Å; G155-I157 PolarHBondContact O-N 3.35Å
158	V	90.6	Very high	90.6	Very high	3 Å²	3	33 Å²	33	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.1	-179.7	-177.2	0	0	0	0	109.4	V148 N149 E162 G163 V174	V148-V158 HydrophobicContact CB-CB 4.49Å; V148-V158 HydrophobicContact CB-CG1 4.3Å; V148-V158 WeakPolarHBondContact CB-O 3.35Å; V148-V158 PolarHBondContact N-O 2.85Å; N149-V158 WeakPolarHBondContact O-CB 3.41Å; N149-V158 PolarHBondContact O-N 3.18Å; V158-E162 HydrophobicContact CG1-CB 3.79Å; V158-G163 WeakPolarHBondContact CG1-O 3.41Å; V158-V174 HydrophobicContact CB-CG1 4.09Å; V158-V174 HydrophobicContact CG2-CB 4.24Å; V158-V174 HydrophobicContact CG2-CG1 3.97Å; V158-V174 HydrophobicContact CG2-CG2 4.08Å
159	C	91.9	Very high	90.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	166.4	-177.4	73.8	0	0	0	0	112.2	C140 A142 H145 Q146 V148 Q161 E162 G163	C140-C159 PolarHBondContact SG-SG 3.21Å; A142-C159 HydrophobicContact CB-CB 4.22Å; H145-C159 HydrophobicContact CB-CB 3.94Å; Q146-C159 CarbonylContact O-C 3.57Å; Q146-C159 WeakPolarHBondContact O-CA 3.26Å; V148-C159 VanDerWaalsContact CG2-C 3.47Å; C159-Q161 PolarHBondContact O-N 3.27Å; C159-E162 PolarHBondContact O-N 3.28Å; C159-G163 PolarHBondContact O-N 2.88Å
160	A	91.5	Very high	90.1	Very high	33 Å²	33	38.1 Å²	38.1	27%	0.273	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29	-172.1	0	0	0	0	0	115.7	L131 H145 Q146 G163	L131-A160 HydrophobicContact CD1-CB 4.01Å; L131-A160 HydrophobicContact CD2-CB 4.21Å; H145-A160 HydrophobicContact CB-CB 4.36Å; Q146-A160 HydrophobicContact CB-CB 4.41Å; Q146-A160 PolarHBondContact O-N 3.45Å; A160-G163 PolarHBondContact O-N 3.5Å
161	Q	90.6	Very high	89.8	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.056	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-29.3	176.8	-175.7	61.8	91.9	0	0	114.3	L131 L132 G134 H136 C138 H145 C159	L131-Q161 HydrophobicContact CD2-CB 3.94Å; L132-Q161 PolarHBondContact O-NE2 2.92Å; G134-Q161 PolarHBondContact O-NE2 2.82Å; H136-Q161 HydrophobicContact CB-CG 4.14Å; H136-Q161 PolarHBondContact N-O 2.92Å; H136-Q161 CarbonylContact O-C 3.55Å; C138-Q161 HydrophobicContact CB-CB 4.1Å; C138-Q161 HydrophobicContact CB-CG 4.2Å; H145-Q161 WeakPolarHBondContact ND1-CB 3.4Å; C159-Q161 PolarHBondContact O-N 3.27Å
162	E	91.2	Very high	89.8	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.014	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-44.3	163.8	-64.3	-168.9	162.6	0	0	108.8	R135 H136 C138 R156 V158 C159 W203	R135-E162 WeakPolarHBondContact CB-O 3.49Å; R135-E162 VanDerWaalsContact CD-O 3.26Å; R135-E162 WeakPolarHBondContact CD-O 3.16Å; R135-E162 VanDerWaalsContact CG-O 3.25Å; R135-E162 WeakPolarHBondContact CG-O 3.18Å; R135-E162 PolarHBondContact NH1-O 3.06Å; H136-E162 WeakPolarHBondContact O-CG 3.09Å; C138-E162 HydrophobicContact CB-CG 3.96Å; C138-E162 PolarHBondContact N-OE1 3.29Å; R156-E162 IonicContact CZ-OE1 2.75Å; R156-E162 IonicContact NE-OE1 3.76Å; R156-E162 PolarHBondContact NE-OE1 2.82Å; R156-E162 IonicContact NE-OE2 2.82Å; R156-E162 PolarHBondContact NE-OE2 2.78Å; R156-E162 IonicContact NH2-OE1 3.79Å; R156-E162 PolarHBondContact NH2-OE1 3.19Å; V158-E162 HydrophobicContact CG1-CB 3.79Å; C159-E162 PolarHBondContact O-N 3.28Å; E162-W203 HydrophobicContact CB-CH2 4.09Å; E162-W203 HydrophobicContact CB-CZ3 4.31Å; E162-W203 HydrophobicContact CG-CH2 4.18Å; E162-W203 HydrophobicContact CG-CZ3 4.24Å
163	G	91	Very high	90	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	20%	0.197	C	C	.	.			trans	68.8	-166.9	-177.8	0	0	0	0	0	112.6	R135 V158 C159 A160	R135-G163 VanDerWaalsContact NH1-C 3.27Å; R135-G163 VanDerWaalsContact NH1-CA 3.26Å; V158-G163 WeakPolarHBondContact CG1-O 3.41Å; C159-G163 PolarHBondContact O-N 2.88Å; A160-G163 PolarHBondContact O-N 3.5Å
164	S	92.7	Very high	90.2	Very high	14 Å²	14	29.9 Å²	29.9	10%	0.098	17%	0.173	C	C	.	.	S	Bend	trans	-65.1	-179.7	176.9	54.4	0	0	0	0	115.1	R135 V174 E179	R135-S164 PolarHBondContact NE-O 3.15Å; R135-S164 VanDerWaalsContact NE-O 3.11Å; R135-S164 VanDerWaalsContact NH1-N 3.18Å; R135-S164 PolarHBondContact NH1-O 2.88Å; R135-S164 PolarHBondContact NH2-O 2.68Å; R135-S164 PolarHBondContact NH2-OG 3.06Å; S164-V174 CarbonylContact C-O 3.48Å; S164-V174 VanDerWaalsContact CA-O 3.25Å; S164-V174 WeakPolarHBondContact CA-O 3.46Å; S164-E179 WeakPolarHBondContact CB-OE1 3.26Å; S164-E179 WeakPolarHBondContact CB-OE2 3.35Å; S164-E179 PolarHBondContact OG-OE1 2.91Å; S164-E179 PolarHBondContact OG-OE2 2.88Å
165	G	92.6	Very high	90.4	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-159	179.8	0	0	0	0	0	113.8	C167 V174 L198	G165-C167 PolarHBondContact O-N 3.41Å; G165-V174 PolarHBondContact N-O 2.98Å; G165-V174 PolarHBondContact O-N 3.37Å; G165-L198 VanDerWaalsContact CA-O 3.3Å; G165-L198 WeakPolarHBondContact CA-O 3.44Å
166	P	92.5	Very high	90.6	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.2	-168.6	30	-36.5	0	0	0	113.1	G171 N172 L198 Y212	P166-G171 WeakPolarHBondContact CB-O 3.42Å; P166-N172 WeakPolarHBondContact CA-O 3.35Å; P166-L198 VanDerWaalsContact CD-O 3.24Å; P166-L198 WeakPolarHBondContact CD-O 3.25Å; P166-Y212 HydrophobicContact CB-CE2 4.37Å; P166-Y212 WeakPolarHBondContact CB-OH 3.47Å; P166-Y212 WeakPolarHBondContact CG-OH 3.44Å; P166-Y212 PolarHBondContact O-OH 3.12Å
167	C	90.9	Very high	90.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.02	17%	0.171	C	C	.	.			trans	-42.9	132.9	-179.8	177.9	0	0	0	0	113.3	C151 G165 Y169 G171 N172 V174 Y212	C151-C167 HydrophobicContact CB-CB 4.24Å; G165-C167 PolarHBondContact O-N 3.41Å; C167-Y169 PolarHBondContact O-N 2.93Å; C167-Y169 VanDerWaalsContact O-N 3.08Å; C167-G171 VanDerWaalsContact O-CA 3.26Å; C167-G171 WeakPolarHBondContact O-CA 3.25Å; C167-G171 PolarHBondContact O-N 3.08Å; C167-N172 WeakPolarHBondContact CB-O 3.17Å; C167-N172 PolarHBondContact N-O 3.05Å; C167-V174 HydrophobicContact CB-CG2 3.99Å; C167-Y212 WeakPolarHBondContact O-CD1 3.41Å; C167-Y212 WeakPolarHBondContact O-CE1 3.45Å
168	Y	87.9	Confident	90.6	Very high	31 Å²	31	34.7 Å²	34.7	12%	0.122	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.2	-175.9	-170.5	-102.2	0	0	0	114.1	P137 W203 E208 P210	P137-Y168 HydrophobicContact CB-CD1 4.23Å; P137-Y168 HydrophobicContact CB-CD2 3.79Å; P137-Y168 HydrophobicContact CB-CE1 4.07Å; P137-Y168 HydrophobicContact CB-CE2 3.64Å; P137-Y168 HydrophobicContact CB-CG 4.11Å; P137-Y168 HydrophobicContact CG-CE2 4.02Å; Y168-W203 HydrophobicContact CD2-CD2 4.29Å; Y168-W203 HydrophobicContact CD2-CE3 4.21Å; Y168-W203 AromaticContact CD2-CH2 3.79Å; Y168-W203 HydrophobicContact CD2-CH2 3.79Å; Y168-W203 AromaticContact CD2-CZ2 3.84Å; Y168-W203 HydrophobicContact CD2-CZ2 3.84Å; Y168-W203 AromaticContact CD2-CZ3 3.97Å; Y168-W203 HydrophobicContact CD2-CZ3 3.97Å; Y168-W203 HydrophobicContact CG-CH2 4.26Å; Y168-W203 HydrophobicContact CG-CZ2 4.41Å; Y168-E208 WeakPolarHBondContact OH-CB 3.16Å; Y168-E208 PolarHBondContact OH-OE2 3.22Å; Y168-P210 HydrophobicContact CD2-CB 3.61Å; Y168-P210 HydrophobicContact CD2-CG 4.5Å; Y168-P210 HydrophobicContact CE2-CB 3.67Å; Y168-P210 HydrophobicContact CE2-CG 4.47Å; Y168-P210 HydrophobicContact CG-CB 4.17Å; Y168-P210 WeakPolarHBondContact O-CB 3.39Å
169	Y	85.5	Confident	90.7	Very high	133 Å²	133	36 Å²	36	52%	0.522	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-73.6	-178.9	-168.2	-111	0	0	0	112.5	C154 C167 Y212	C154-Y169 HydrophobicContact CB-CD1 4.1Å; C167-Y169 PolarHBondContact O-N 2.93Å; C167-Y169 VanDerWaalsContact O-N 3.08Å; Y169-Y212 PolarHBondContact O-N 3Å
170	C	87.5	Confident	90.6	Very high	30 Å²	30	40.2 Å²	40.2	20%	0.203	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.1	-172.5	70.1	0	0	0	0	115.4	C154 N172	C154-C170 HydrophobicContact CB-CB 4.06Å; C154-C170 PolarHBondContact SG-SG 3.11Å; C170-N172 VanDerWaalsContact C-N 3.33Å; C170-N172 PolarHBondContact O-N 3.36Å
171	G	86.6	Confident	90.4	Very high	8 Å²	8	45.2 Å²	45.2	8%	0.082	23%	0.227	C	C	.	.			trans	78.6	3.5	179.4	0	0	0	0	0	116.6	P166 C167 Y212	P166-G171 WeakPolarHBondContact CB-O 3.42Å; C167-G171 VanDerWaalsContact O-CA 3.26Å; C167-G171 WeakPolarHBondContact O-CA 3.25Å; C167-G171 PolarHBondContact O-N 3.08Å; G171-Y212 VanDerWaalsContact N-CD1 3.33Å
172	N	89.7	Confident	90.3	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	24%	0.242	S	C	.	.			trans	-70.7	148	171.4	-80.9	16.5	0	0	0	111.1	N153 P166 C167 C170	N153-N172 HydrophobicContact CB-CB 4.06Å; N153-N172 VanDerWaalsContact CB-ND2 3.28Å; N153-N172 WeakPolarHBondContact CB-ND2 3.43Å; N153-N172 PolarHBondContact OD1-ND2 2.87Å; N153-N172 VanDerWaalsContact OD1-ND2 3.09Å; P166-N172 WeakPolarHBondContact CA-O 3.35Å; C167-N172 WeakPolarHBondContact CB-O 3.17Å; C167-N172 PolarHBondContact N-O 3.05Å; C170-N172 VanDerWaalsContact C-N 3.33Å; C170-N172 PolarHBondContact O-N 3.36Å
173	L	92.3	Very high	90.2	Very high	58 Å²	58	50.4 Å²	50.4	30%	0.304	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.2	-176.1	-160.6	76.9	0	0	0	110.6	L183 R195 L198	L173-L183 HydrophobicContact CD2-CD1 4.3Å; L173-R195 HydrophobicContact CD2-CG 4.32Å; L173-L198 HydrophobicContact CD1-CB 3.96Å
174	V	93.6	Very high	89.9	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.1	173.4	-174.9	0	0	0	0	107.1	N149 C151 V158 S164 G165 C167	N149-V174 HydrophobicContact CB-CG1 3.77Å; C151-V174 HydrophobicContact CB-CG2 3.72Å; V158-V174 HydrophobicContact CB-CG1 4.09Å; V158-V174 HydrophobicContact CG2-CB 4.24Å; V158-V174 HydrophobicContact CG2-CG1 3.97Å; V158-V174 HydrophobicContact CG2-CG2 4.08Å; S164-V174 CarbonylContact C-O 3.48Å; S164-V174 VanDerWaalsContact CA-O 3.25Å; S164-V174 WeakPolarHBondContact CA-O 3.46Å; G165-V174 PolarHBondContact N-O 2.98Å; G165-V174 PolarHBondContact O-N 3.37Å; C167-V174 HydrophobicContact CB-CG2 3.99Å
175	C	92.3	Very high	89.4	Confident	10 Å²	10	59.6 Å²	59.6	7%	0.068	30%	0.3	C	S	.	.			trans	-121.4	155	-174	-63	0	0	0	0	109.7	N149 E179 E180 L183	N149-C175 WeakPolarHBondContact CB-O 3.31Å; N149-C175 PolarHBondContact ND2-O 2.77Å; C175-E179 VanDerWaalsContact CA-OE2 3.31Å; C175-E179 WeakPolarHBondContact CA-OE2 3.4Å; C175-E179 HydrophobicContact CB-CB 3.83Å; C175-E180 HydrophobicContact CB-CB 4.2Å; C175-L183 HydrophobicContact CB-CD1 4.47Å; C175-L183 VanDerWaalsContact SG-CD1 3.5Å
176	T	92.9	Very high	88.5	Confident	45 Å²	45	60.6 Å²	60.6	28%	0.276	31%	0.311	S	S	.	.			trans	-64.8	160	162.4	66.7	0	0	0	0	109.8	V148 D178 E179 E180	V148-T176 HydrophobicContact CG1-CG2 4.02Å; T176-D178 PolarHBondContact O-N 3.07Å; T176-E179 PolarHBondContact N-OE2 3.03Å; T176-E179 PolarHBondContact O-N 3.29Å; T176-E179 VanDerWaalsContact O-N 3.08Å; T176-E179 WeakPolarHBondContact OG1-CB 3.42Å; T176-E179 WeakPolarHBondContact OG1-CG 3.36Å; T176-E179 PolarHBondContact OG1-N 3.48Å; T176-E180 WeakPolarHBondContact O-CB 3.5Å; T176-E180 PolarHBondContact O-N 3.19Å
177	I	90.1	Very high	88	Confident	131 Å²	131	67.1 Å²	67.1	67%	0.672	34%	0.344	S	S	*	.	H	α-helix	trans	-55.8	-39.7	177.7	-57.8	173	0	0	0	111	E180 Y181	I177-E180 PolarHBondContact O-N 2.91Å; I177-Y181 WeakPolarHBondContact O-CB 3.47Å; I177-Y181 PolarHBondContact O-N 2.93Å
178	D	89.7	Confident	87.5	Confident	120 Å²	120	70.7 Å²	70.7	64%	0.642	37%	0.373	S	S	*	.	H	α-helix	trans	-69.2	-36	177.4	-61.9	-40.3	0	0	0	113.3	T176 Q182	T176-D178 PolarHBondContact O-N 3.07Å; D178-Q182 VanDerWaalsContact O-CG 3.28Å; D178-Q182 WeakPolarHBondContact O-CG 3.38Å; D178-Q182 PolarHBondContact O-N 3.06Å; D178-Q182 VanDerWaalsContact O-N 3.14Å; D178-Q182 PolarHBondContact O-NE2 2.86Å
179	E	91.4	Very high	87.5	Confident	31 Å²	31	77.5 Å²	77.5	15%	0.145	40%	0.403	C	S	.	.	H	α-helix	trans	-69.3	-40.9	173.3	-75.7	170.8	161.2	0	0	110.8	S164 C175 T176 Q182 L183 L198	S164-E179 WeakPolarHBondContact CB-OE1 3.26Å; S164-E179 WeakPolarHBondContact CB-OE2 3.35Å; S164-E179 PolarHBondContact OG-OE1 2.91Å; S164-E179 PolarHBondContact OG-OE2 2.88Å; C175-E179 VanDerWaalsContact CA-OE2 3.31Å; C175-E179 WeakPolarHBondContact CA-OE2 3.4Å; C175-E179 HydrophobicContact CB-CB 3.83Å; T176-E179 PolarHBondContact N-OE2 3.03Å; T176-E179 PolarHBondContact O-N 3.29Å; T176-E179 VanDerWaalsContact O-N 3.08Å; T176-E179 WeakPolarHBondContact OG1-CB 3.42Å; T176-E179 WeakPolarHBondContact OG1-CG 3.36Å; T176-E179 PolarHBondContact OG1-N 3.48Å; E179-Q182 CarbonylContact O-C 3.51Å; E179-Q182 PolarHBondContact O-N 3.49Å; E179-L183 WeakPolarHBondContact O-CB 3.39Å; E179-L183 VanDerWaalsContact O-CG 3.25Å; E179-L183 WeakPolarHBondContact O-CG 3.22Å; E179-L183 PolarHBondContact O-N 2.98Å; E179-L198 HydrophobicContact CB-CD1 4.19Å; E179-L198 HydrophobicContact CG-CD1 4.17Å; E179-L198 VanDerWaalsContact OE1-CD2 3.3Å; E179-L198 WeakPolarHBondContact OE1-CD2 3.2Å
180	E	89.5	Confident	87.4	Confident	89 Å²	89	75.9 Å²	75.9	42%	0.416	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-37.8	178.2	-173.3	159.9	-151.5	0	0	112	N149 C175 T176 I177 L183 S184	N149-E180 PolarHBondContact ND2-OE2 2.9Å; N149-E180 VanDerWaalsContact ND2-OE2 3.15Å; C175-E180 HydrophobicContact CB-CB 4.2Å; T176-E180 WeakPolarHBondContact O-CB 3.5Å; T176-E180 PolarHBondContact O-N 3.19Å; I177-E180 PolarHBondContact O-N 2.91Å; E180-L183 PolarHBondContact O-N 3.35Å; E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 3.37Å; E180-S184 PolarHBondContact O-OG 3.28Å
181	Y	88.9	Confident	87.4	Confident	138 Å²	138	75.2 Å²	75.2	54%	0.541	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-43.8	169.6	-168.9	-91	0	0	0	112.1	I177 L183 S184 Q185	I177-Y181 WeakPolarHBondContact O-CB 3.47Å; I177-Y181 PolarHBondContact O-N 2.93Å; Y181-L183 VanDerWaalsContact C-N 3.3Å; Y181-L183 PolarHBondContact O-N 2.82Å; Y181-S184 WeakPolarHBondContact CA-OG 3.3Å; Y181-S184 PolarHBondContact O-N 3.22Å; Y181-S184 PolarHBondContact O-OG 3.49Å; Y181-S184 VanDerWaalsContact O-OG 3.12Å; Y181-Q185 HydrophobicContact CE1-CG 4.41Å; Y181-Q185 VanDerWaalsContact CZ-CD 3.43Å; Y181-Q185 PolarHBondContact O-N 3.09Å; Y181-Q185 PolarHBondContact OH-NE2 3.2Å; Y181-Q185 PolarHBondContact OH-OE1 3.13Å
182	Q	88.1	Confident	87.5	Confident	83 Å²	83	79.5 Å²	79.5	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-67.3	-27.9	175.1	-74.9	169.5	67.9	0	0	113.7	D178 E179 G186 L194	D178-Q182 VanDerWaalsContact O-CG 3.28Å; D178-Q182 WeakPolarHBondContact O-CG 3.38Å; D178-Q182 PolarHBondContact O-N 3.06Å; D178-Q182 VanDerWaalsContact O-N 3.14Å; D178-Q182 PolarHBondContact O-NE2 2.86Å; E179-Q182 CarbonylContact O-C 3.51Å; E179-Q182 PolarHBondContact O-N 3.49Å; Q182-G186 VanDerWaalsContact O-CA 3.26Å; Q182-G186 WeakPolarHBondContact O-CA 3.5Å; Q182-G186 PolarHBondContact O-N 3.13Å; Q182-G186 VanDerWaalsContact O-N 3.12Å; Q182-L194 HydrophobicContact CB-CD2 3.6Å
183	L	88	Confident	87.5	Confident	41 Å²	41	83.8 Å²	83.8	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-77	-34.3	175.1	-73.4	171.9	0	0	0	112.6	L173 C175 E179 E180 Y181 S191 L194 R195 L198	L173-L183 HydrophobicContact CD2-CD1 4.3Å; C175-L183 HydrophobicContact CB-CD1 4.47Å; C175-L183 VanDerWaalsContact SG-CD1 3.5Å; E179-L183 WeakPolarHBondContact O-CB 3.39Å; E179-L183 VanDerWaalsContact O-CG 3.25Å; E179-L183 WeakPolarHBondContact O-CG 3.22Å; E179-L183 PolarHBondContact O-N 2.98Å; E180-L183 PolarHBondContact O-N 3.35Å; Y181-L183 VanDerWaalsContact C-N 3.3Å; Y181-L183 PolarHBondContact O-N 2.82Å; L183-S191 VanDerWaalsContact CD2-O 3.26Å; L183-S191 WeakPolarHBondContact CD2-O 3.32Å; L183-S191 WeakPolarHBondContact O-CB 3.4Å; L183-L194 HydrophobicContact CD2-CB 4.06Å; L183-L194 HydrophobicContact CD2-CD2 4.07Å; L183-L194 HydrophobicContact CD2-CG 4Å; L183-L194 HydrophobicContact CG-CD2 4.05Å; L183-L194 HydrophobicContact CG-CG 4.38Å; L183-R195 HydrophobicContact CD2-CB 3.79Å; L183-L198 HydrophobicContact CD1-CD1 4.39Å
184	S	86.2	Confident	87.4	Confident	90 Å²	90	82.1 Å²	82.1	63%	0.629	42%	0.421	S	S	*	.	H	α-helix	trans	-84.5	-39.8	-178.8	51.1	0	0	0	0	113.7	E180 Y181	E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 3.37Å; E180-S184 PolarHBondContact O-OG 3.28Å; Y181-S184 WeakPolarHBondContact CA-OG 3.3Å; Y181-S184 PolarHBondContact O-N 3.22Å; Y181-S184 PolarHBondContact O-OG 3.49Å; Y181-S184 VanDerWaalsContact O-OG 3.12Å
185	Q	81.3	Confident	87.3	Confident	130 Å²	130	88.9 Å²	88.9	61%	0.607	45%	0.446	S	S	*	.	H	α-helix	trans	-97.6	-15.9	179.2	-59.2	-159.6	-1	0	0	114.5	Y181	Y181-Q185 HydrophobicContact CE1-CG 4.41Å; Y181-Q185 VanDerWaalsContact CZ-CD 3.43Å; Y181-Q185 PolarHBondContact O-N 3.09Å; Y181-Q185 PolarHBondContact OH-NE2 3.2Å; Y181-Q185 PolarHBondContact OH-OE1 3.13Å
186	G	73.8	Confident	87.3	Confident	23 Å²	23	91.9 Å²	91.9	24%	0.237	46%	0.461	C	S	.	.	S	Bend	trans	-68	134.5	-174.4	0	0	0	0	0	113.2	Q182 A188 S191	Q182-G186 VanDerWaalsContact O-CA 3.26Å; Q182-G186 WeakPolarHBondContact O-CA 3.5Å; Q182-G186 PolarHBondContact O-N 3.13Å; Q182-G186 VanDerWaalsContact O-N 3.12Å; G186-A188 PolarHBondContact O-N 3.35Å; G186-S191 WeakPolarHBondContact O-CB 3.38Å; G186-S191 PolarHBondContact O-OG 3.41Å
187	I	81.2	Confident	87.2	Confident	145 Å²	145	97.2 Å²	97.2	74%	0.744	48%	0.48	S	S	*	.			trans	-38.9	129.1	167.9	-56.8	170.9	0	0	0	109.1	K189 H190 S191	I187-K189 PolarHBondContact O-N 3.07Å; I187-H190 WeakPolarHBondContact O-CA 3.22Å; I187-H190 WeakPolarHBondContact O-CB 3.14Å; I187-H190 PolarHBondContact O-N 2.98Å; I187-S191 PolarHBondContact O-N 3.47Å; I187-S191 VanDerWaalsContact O-N 3.08Å; I187-S191 PolarHBondContact O-OG 3.33Å
188	A	81.7	Confident	87.3	Confident	77 Å²	77	91.4 Å²	91.4	64%	0.636	45%	0.451	S	S	*	.	H	α-helix	trans	-47.4	-35.3	-168.3	0	0	0	0	0	115.1	G186 S191 Q192	G186-A188 PolarHBondContact O-N 3.35Å; A188-S191 WeakPolarHBondContact CA-OG 3.33Å; A188-S191 PolarHBondContact O-OG 2.9Å; A188-Q192 WeakPolarHBondContact O-CB 3.14Å; A188-Q192 PolarHBondContact O-N 3.02Å
189	K	86.3	Confident	87.3	Confident	175 Å²	175	88.9 Å²	88.9	76%	0.761	44%	0.442	S	S	*	.	H	α-helix	trans	-70.2	-30.5	176.1	-66.5	-179.2	179.8	176.4	0	113.8	I187 K193	I187-K189 PolarHBondContact O-N 3.07Å; K189-K193 WeakPolarHBondContact O-CB 3.42Å; K189-K193 WeakPolarHBondContact O-CD 3.38Å; K189-K193 WeakPolarHBondContact O-CG 3.39Å; K189-K193 PolarHBondContact O-N 3.29Å
190	H	84.8	Confident	87.1	Confident	98 Å²	98	94.7 Å²	94.7	45%	0.454	47%	0.469	S	S	.	.	H	α-helix	trans	-81.2	-49.7	174.9	-174.6	-93.9	0	0	0	111.5	I187 Q192 K193 L194	I187-H190 WeakPolarHBondContact O-CA 3.22Å; I187-H190 WeakPolarHBondContact O-CB 3.14Å; I187-H190 PolarHBondContact O-N 2.98Å; H190-Q192 VanDerWaalsContact C-N 3.34Å; H190-Q192 PolarHBondContact O-N 3.43Å; H190-K193 WeakPolarHBondContact O-CB 3.46Å; H190-K193 PolarHBondContact O-N 3.08Å; H190-K193 VanDerWaalsContact O-N 3.12Å; H190-L194 PolarHBondContact O-N 3.1Å
191	S	87.5	Confident	86.9	Confident	17 Å²	17	91.3 Å²	91.3	12%	0.119	46%	0.456	C	S	.	.	H	α-helix	trans	-60.7	-40.9	178.3	44.6	0	0	0	0	111.6	L183 G186 I187 A188 L194 R195	L183-S191 VanDerWaalsContact CD2-O 3.26Å; L183-S191 WeakPolarHBondContact CD2-O 3.32Å; L183-S191 WeakPolarHBondContact O-CB 3.4Å; G186-S191 WeakPolarHBondContact O-CB 3.38Å; G186-S191 PolarHBondContact O-OG 3.41Å; I187-S191 PolarHBondContact O-N 3.47Å; I187-S191 VanDerWaalsContact O-N 3.08Å; I187-S191 PolarHBondContact O-OG 3.33Å; A188-S191 WeakPolarHBondContact CA-OG 3.33Å; A188-S191 PolarHBondContact O-OG 2.9Å; S191-L194 PolarHBondContact O-N 2.85Å; S191-R195 VanDerWaalsContact O-CB 3.3Å; S191-R195 WeakPolarHBondContact O-CB 3.46Å; S191-R195 PolarHBondContact O-N 3.05Å
192	Q	87.9	Confident	86.8	Confident	97 Å²	97	88.1 Å²	88.1	45%	0.453	46%	0.459	S	S	.	.	H	α-helix	trans	-67.4	-36	173.8	-169.2	64.7	6.6	0	0	113.3	A188 H190 R195 N196	A188-Q192 WeakPolarHBondContact O-CB 3.14Å; A188-Q192 PolarHBondContact O-N 3.02Å; H190-Q192 VanDerWaalsContact C-N 3.34Å; H190-Q192 PolarHBondContact O-N 3.43Å; Q192-R195 PolarHBondContact O-N 3.12Å; Q192-N196 WeakPolarHBondContact O-CB 3.41Å; Q192-N196 PolarHBondContact O-N 2.87Å; Q192-N196 PolarHBondContact O-OD1 3.29Å
193	K	90.7	Very high	86.7	Confident	156 Å²	156	85.4 Å²	85.4	68%	0.678	45%	0.445	S	S	*	.	H	α-helix	trans	-63.8	-44.1	173	-81.7	175.6	-179.2	-173.8	0	111.6	K189 H190 N196 K197	K189-K193 WeakPolarHBondContact O-CB 3.42Å; K189-K193 WeakPolarHBondContact O-CD 3.38Å; K189-K193 WeakPolarHBondContact O-CG 3.39Å; K189-K193 PolarHBondContact O-N 3.29Å; H190-K193 WeakPolarHBondContact O-CB 3.46Å; H190-K193 PolarHBondContact O-N 3.08Å; H190-K193 VanDerWaalsContact O-N 3.12Å; K193-N196 PolarHBondContact O-N 3.02Å; K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.44Å
194	L	90.3	Very high	86.6	Confident	23 Å²	23	84.1 Å²	84.1	12%	0.12	44%	0.44	C	S	.	.	H	α-helix	trans	-63.2	-47.3	175.7	-179.1	59.7	0	0	0	110.9	Q182 L183 H190 S191 N196 K197 L198	Q182-L194 HydrophobicContact CB-CD2 3.6Å; L183-L194 HydrophobicContact CD2-CB 4.06Å; L183-L194 HydrophobicContact CD2-CD2 4.07Å; L183-L194 HydrophobicContact CD2-CG 4Å; L183-L194 HydrophobicContact CG-CD2 4.05Å; L183-L194 HydrophobicContact CG-CG 4.38Å; H190-L194 PolarHBondContact O-N 3.1Å; S191-L194 PolarHBondContact O-N 2.85Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.45Å; L194-K197 PolarHBondContact O-N 2.99Å; L194-K197 VanDerWaalsContact O-N 3.16Å; L194-L198 HydrophobicContact CD1-CD1 3.92Å; L194-L198 HydrophobicContact CD1-CD2 4.49Å; L194-L198 HydrophobicContact CD1-CG 4Å; L194-L198 HydrophobicContact CG-CD1 3.95Å; L194-L198 HydrophobicContact CG-CG 4.39Å; L194-L198 WeakPolarHBondContact O-CG 3.44Å; L194-L198 PolarHBondContact O-N 3.16Å
195	R	91	Very high	86.4	Confident	147 Å²	147	86.2 Å²	86.2	56%	0.555	45%	0.452	S	S	*	.	H	α-helix	trans	-56.5	-45.2	176.6	-170.1	174.8	-177.3	145.3	2	112	L173 L183 S191 Q192 S199	L173-R195 HydrophobicContact CD2-CG 4.32Å; L183-R195 HydrophobicContact CD2-CB 3.79Å; S191-R195 VanDerWaalsContact O-CB 3.3Å; S191-R195 WeakPolarHBondContact O-CB 3.46Å; S191-R195 PolarHBondContact O-N 3.05Å; Q192-R195 PolarHBondContact O-N 3.12Å; R195-S199 WeakPolarHBondContact O-CB 3.36Å; R195-S199 PolarHBondContact O-N 3.36Å
196	N	91.2	Very high	86.3	Confident	73 Å²	73	84.4 Å²	84.4	39%	0.39	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-47.5	176	-72.9	-4.2	0	0	0	111.3	Q192 K193 L194 L198 S199 Q200	Q192-N196 WeakPolarHBondContact O-CB 3.41Å; Q192-N196 PolarHBondContact O-N 2.87Å; Q192-N196 PolarHBondContact O-OD1 3.29Å; K193-N196 PolarHBondContact O-N 3.02Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.45Å; N196-L198 PolarHBondContact O-N 2.9Å; N196-S199 PolarHBondContact O-N 3.33Å; N196-Q200 VanDerWaalsContact O-CB 3.32Å; N196-Q200 WeakPolarHBondContact O-CB 3.46Å; N196-Q200 VanDerWaalsContact O-CG 3.32Å; N196-Q200 WeakPolarHBondContact O-CG 3.32Å; N196-Q200 PolarHBondContact O-N 3.4Å
197	K	92.3	Very high	86.5	Confident	158 Å²	158	85 Å²	85	69%	0.687	47%	0.467	S	S	*	.	H	α-helix	trans	-58.8	-43.6	178.2	-175.5	-175.4	178.2	-172.5	0	112.5	K193 L194 A201	K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.44Å; L194-K197 PolarHBondContact O-N 2.99Å; L194-K197 VanDerWaalsContact O-N 3.16Å; K197-A201 PolarHBondContact O-N 3.27Å
198	L	91.9	Very high	86.2	Confident	9 Å²	9	84.2 Å²	84.2	5%	0.047	46%	0.46	C	S	.	.	H	α-helix	trans	-71.9	-42.1	179.1	-64.2	177.3	0	0	0	111.8	G165 P166 L173 E179 L183 L194 N196 Q200 A201	G165-L198 VanDerWaalsContact CA-O 3.3Å; G165-L198 WeakPolarHBondContact CA-O 3.44Å; P166-L198 VanDerWaalsContact CD-O 3.24Å; P166-L198 WeakPolarHBondContact CD-O 3.25Å; L173-L198 HydrophobicContact CD1-CB 3.96Å; E179-L198 HydrophobicContact CB-CD1 4.19Å; E179-L198 HydrophobicContact CG-CD1 4.17Å; E179-L198 VanDerWaalsContact OE1-CD2 3.3Å; E179-L198 WeakPolarHBondContact OE1-CD2 3.2Å; L183-L198 HydrophobicContact CD1-CD1 4.39Å; L194-L198 HydrophobicContact CD1-CD1 3.92Å; L194-L198 HydrophobicContact CD1-CD2 4.49Å; L194-L198 HydrophobicContact CD1-CG 4Å; L194-L198 HydrophobicContact CG-CD1 3.95Å; L194-L198 HydrophobicContact CG-CG 4.39Å; L194-L198 WeakPolarHBondContact O-CG 3.44Å; L194-L198 PolarHBondContact O-N 3.16Å; N196-L198 PolarHBondContact O-N 2.9Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 3.21Å; L198-A201 VanDerWaalsContact O-CB 3.28Å; L198-A201 WeakPolarHBondContact O-CB 3.46Å; L198-A201 PolarHBondContact O-N 2.68Å
199	S	89.5	Confident	86	Confident	66 Å²	66	83.9 Å²	83.9	46%	0.462	45%	0.45	S	S	.	.	H	α-helix	trans	-65.7	-33.7	177.8	-172.8	0	0	0	0	113.2	R195 N196 A201	R195-S199 WeakPolarHBondContact O-CB 3.36Å; R195-S199 PolarHBondContact O-N 3.36Å; N196-S199 PolarHBondContact O-N 3.33Å; S199-A201 VanDerWaalsContact C-N 3.34Å
200	Q	86.2	Confident	85.7	Confident	154 Å²	154	75.6 Å²	75.6	72%	0.72	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.6	177.5	-67.4	178.2	-1.7	0	0	113.7	N196 L198 A202	N196-Q200 VanDerWaalsContact O-CB 3.32Å; N196-Q200 WeakPolarHBondContact O-CB 3.46Å; N196-Q200 VanDerWaalsContact O-CG 3.32Å; N196-Q200 WeakPolarHBondContact O-CG 3.32Å; N196-Q200 PolarHBondContact O-N 3.4Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 3.21Å; Q200-A202 PolarHBondContact O-N 2.87Å
201	A	86.5	Confident	85.2	Confident	17 Å²	17	76.9 Å²	76.9	14%	0.14	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-58.4	130	-175.9	0	0	0	0	0	111.8	R135 K197 L198 S199 R213	R135-A201 VanDerWaalsContact NE-CB 3.3Å; K197-A201 PolarHBondContact O-N 3.27Å; L198-A201 VanDerWaalsContact O-CB 3.28Å; L198-A201 WeakPolarHBondContact O-CB 3.46Å; L198-A201 PolarHBondContact O-N 2.68Å; S199-A201 VanDerWaalsContact C-N 3.34Å; A201-R213 PolarHBondContact O-NH2 3.44Å
202	A	85.4	Confident	84.8	Confident	71 Å²	71	76.9 Å²	76.9	59%	0.587	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-78.9	143.9	-176.3	0	0	0	0	0	111.6	R135 Q200	R135-A202 WeakPolarHBondContact CG-O 3.28Å; Q200-A202 PolarHBondContact O-N 2.87Å
203	W	87.3	Confident	84.5	Confident	26 Å²	26	76 Å²	76	10%	0.098	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-77.2	146.5	156.3	-62.2	88	0	0	0	108.1	R135 E162 Y168 T207	R135-W203 HydrophobicContact CB-CD2 4.1Å; R135-W203 HydrophobicContact CB-CE3 3.65Å; R135-W203 HydrophobicContact CB-CZ3 3.94Å; E162-W203 HydrophobicContact CB-CH2 4.09Å; E162-W203 HydrophobicContact CB-CZ3 4.31Å; E162-W203 HydrophobicContact CG-CH2 4.18Å; E162-W203 HydrophobicContact CG-CZ3 4.24Å; Y168-W203 HydrophobicContact CD2-CD2 4.29Å; Y168-W203 HydrophobicContact CD2-CE3 4.21Å; Y168-W203 AromaticContact CD2-CH2 3.79Å; Y168-W203 HydrophobicContact CD2-CH2 3.79Å; Y168-W203 AromaticContact CD2-CZ2 3.84Å; Y168-W203 HydrophobicContact CD2-CZ2 3.84Å; Y168-W203 AromaticContact CD2-CZ3 3.97Å; Y168-W203 HydrophobicContact CD2-CZ3 3.97Å; Y168-W203 HydrophobicContact CG-CH2 4.26Å; Y168-W203 HydrophobicContact CG-CZ2 4.41Å; W203-T207 WeakPolarHBondContact CB-OG1 3.4Å
204	A	85.7	Confident	83.8	Confident	14 Å²	14	74.1 Å²	74.1	12%	0.116	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-66.6	154.3	-173.9	0	0	0	0	0	112	R135 H136 T207	R135-A204 PolarHBondContact O-N 2.78Å; H136-A204 WeakPolarHBondContact CE1-CB 3.32Å; H136-A204 WeakPolarHBondContact ND1-CB 3.33Å; A204-T207 HydrophobicContact CB-CG2 4.25Å; A204-T207 PolarHBondContact O-N 2.86Å; A204-T207 PolarHBondContact O-OG1 3Å
205	P	82	Confident	83.1	Confident	135 Å²	135	76.1 Å²	76.1	88%	0.877	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	141.8	173.8	-25.4	35	0	0	0	112.1	T207	P205-T207 VanDerWaalsContact C-N 3.25Å; P205-T207 PolarHBondContact O-N 3.1Å
206	G	78.4	Confident	82.5	Confident	91 Å²	91	75.9 Å²	75.9	94%	0.938	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-7.1	-179.6	0	0	0	0	0	115.9
207	T	77.9	Confident	81.8	Confident	35 Å²	35	81 Å²	81	22%	0.215	42%	0.417	C	S	.	.	S	Bend	trans	-76.8	149.9	172.4	59.4	0	0	0	0	112.1	H136 W203 A204 P205	H136-T207 HydrophobicContact CB-CG2 4.37Å; H136-T207 WeakPolarHBondContact ND1-CG2 3.33Å; W203-T207 WeakPolarHBondContact CB-OG1 3.4Å; A204-T207 HydrophobicContact CB-CG2 4.25Å; A204-T207 PolarHBondContact O-N 2.86Å; A204-T207 PolarHBondContact O-OG1 3Å; P205-T207 VanDerWaalsContact C-N 3.25Å; P205-T207 PolarHBondContact O-N 3.1Å
208	E	76.5	Confident	80.8	Confident	130 Å²	130	76 Å²	76	61%	0.607	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-54.3	142.8	171.4	-83.4	-174.1	-144.7	0	0	112	Y168 R214	Y168-E208 WeakPolarHBondContact OH-CB 3.16Å; Y168-E208 PolarHBondContact OH-OE2 3.22Å; E208-R214 IonicContact OE2-NH2 3.22Å
209	T	76.9	Confident	80	Confident	69 Å²	69	80.9 Å²	80.9	42%	0.423	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-73.2	125.2	173.8	60.1	0	0	0	0	110.1	R214	T209-R214 VanDerWaalsContact O-CZ 3.32Å; T209-R214 PolarHBondContact O-NE 3.04Å; T209-R214 PolarHBondContact O-NH2 3.23Å; T209-R214 WeakPolarHBondContact OG1-CG 3.36Å; T209-R214 PolarHBondContact OG1-NE 3.19Å
210	P	79.2	Confident	79.2	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.013	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.5	-178	24.1	-35.5	0	0	0	111.8	Y168 Y212 R213 R214	Y168-P210 HydrophobicContact CD2-CB 3.61Å; Y168-P210 HydrophobicContact CD2-CG 4.5Å; Y168-P210 HydrophobicContact CE2-CB 3.67Å; Y168-P210 HydrophobicContact CE2-CG 4.47Å; Y168-P210 HydrophobicContact CG-CB 4.17Å; Y168-P210 WeakPolarHBondContact O-CB 3.39Å; P210-Y212 HydrophobicContact CB-CD1 3.79Å; P210-Y212 HydrophobicContact CB-CE1 3.49Å; P210-Y212 VanDerWaalsContact CB-CE1 3.49Å; P210-Y212 HydrophobicContact CG-CD1 4.24Å; P210-Y212 HydrophobicContact CG-CE1 3.63Å; P210-Y212 PolarHBondContact O-N 2.77Å; P210-R213 HydrophobicContact CG-CB 4.1Å; P210-R213 HydrophobicContact CG-CG 3.76Å; P210-R213 WeakPolarHBondContact O-CB 3.46Å; P210-R213 PolarHBondContact O-N 3.45Å; P210-R214 PolarHBondContact O-N 2.87Å
211	Y	75.2	Confident	78.3	Confident	125 Å²	125	79.2 Å²	79.2	49%	0.49	42%	0.419	S	S	.	.	H	α-helix	trans	-55.9	-46	-169.9	-174.7	-130	0	0	0	112.8	R213 R214 I215	Y211-R213 PolarHBondContact O-N 2.99Å; Y211-R213 VanDerWaalsContact O-N 3.17Å; Y211-R214 WeakPolarHBondContact O-CB 3.47Å; Y211-R214 PolarHBondContact O-N 2.93Å; Y211-I215 HydrophobicContact CD1-CD1 3.79Å; Y211-I215 HydrophobicContact CD2-CD1 4.33Å; Y211-I215 HydrophobicContact CD2-CG1 4.5Å; Y211-I215 HydrophobicContact CE1-CD1 3.5Å; Y211-I215 VanDerWaalsContact CE1-CD1 3.5Å; Y211-I215 HydrophobicContact CE1-CG1 4.49Å; Y211-I215 HydrophobicContact CE2-CD1 4.05Å; Y211-I215 HydrophobicContact CE2-CG1 4.2Å; Y211-I215 HydrophobicContact CG-CD1 4.19Å; Y211-I215 PolarHBondContact O-N 2.99Å
212	Y	79.8	Confident	77.3	Confident	16 Å²	16	86 Å²	86	6%	0.063	45%	0.445	C	S	.	.	H	α-helix	trans	-58.8	-28.5	175.9	76	-90.7	0	0	0	114.4	P166 C167 Y169 G171 P210 R216	P166-Y212 HydrophobicContact CB-CE2 4.37Å; P166-Y212 WeakPolarHBondContact CB-OH 3.47Å; P166-Y212 WeakPolarHBondContact CG-OH 3.44Å; P166-Y212 PolarHBondContact O-OH 3.12Å; C167-Y212 WeakPolarHBondContact O-CD1 3.41Å; C167-Y212 WeakPolarHBondContact O-CE1 3.45Å; Y169-Y212 PolarHBondContact O-N 3Å; G171-Y212 VanDerWaalsContact N-CD1 3.33Å; P210-Y212 HydrophobicContact CB-CD1 3.79Å; P210-Y212 HydrophobicContact CB-CE1 3.49Å; P210-Y212 VanDerWaalsContact CB-CE1 3.49Å; P210-Y212 HydrophobicContact CG-CD1 4.24Å; P210-Y212 HydrophobicContact CG-CE1 3.63Å; P210-Y212 PolarHBondContact O-N 2.77Å; Y212-R216 WeakPolarHBondContact O-CB 3.33Å; Y212-R216 VanDerWaalsContact O-CG 3.29Å; Y212-R216 WeakPolarHBondContact O-CG 3.47Å; Y212-R216 PolarHBondContact O-N 3.26Å
213	R	81	Confident	76	Confident	79 Å²	79	89.4 Å²	89.4	30%	0.298	45%	0.449	S	S	.	.	H	α-helix	trans	-76.9	-33.2	175.4	-69.5	-174.2	-169.4	-165.6	-1.4	111.5	A201 P210 Y211 R217	A201-R213 PolarHBondContact O-NH2 3.44Å; P210-R213 HydrophobicContact CG-CB 4.1Å; P210-R213 HydrophobicContact CG-CG 3.76Å; P210-R213 WeakPolarHBondContact O-CB 3.46Å; P210-R213 PolarHBondContact O-N 3.45Å; Y211-R213 PolarHBondContact O-N 2.99Å; Y211-R213 VanDerWaalsContact O-N 3.17Å; R213-R217 WeakPolarHBondContact O-CB 3.32Å; R213-R217 VanDerWaalsContact O-CG 3.28Å; R213-R217 WeakPolarHBondContact O-CG 3.25Å; R213-R217 PolarHBondContact O-N 2.87Å; R213-R217 VanDerWaalsContact O-N 3.12Å
214	R	76.6	Confident	74.7	Confident	117 Å²	117	94.4 Å²	94.4	44%	0.442	47%	0.473	S	S	.	.	H	α-helix	trans	-65.1	-49.7	172.7	-62.8	-174.4	-131.3	168.7	1.2	110.3	E208 T209 P210 Y211 R217 A218	E208-R214 IonicContact OE2-NH2 3.22Å; T209-R214 VanDerWaalsContact O-CZ 3.32Å; T209-R214 PolarHBondContact O-NE 3.04Å; T209-R214 PolarHBondContact O-NH2 3.23Å; T209-R214 WeakPolarHBondContact OG1-CG 3.36Å; T209-R214 PolarHBondContact OG1-NE 3.19Å; P210-R214 PolarHBondContact O-N 2.87Å; Y211-R214 WeakPolarHBondContact O-CB 3.47Å; Y211-R214 PolarHBondContact O-N 2.93Å; R214-R217 PolarHBondContact O-N 3.18Å; R214-A218 PolarHBondContact O-N 3.26Å
215	I	74.8	Confident	73.3	Confident	64 Å²	64	98.1 Å²	98.1	33%	0.328	50%	0.499	S	S	.	.	H	α-helix	trans	-57.3	-53.2	176.2	-64.9	164	0	0	0	111.3	Y211 R217 A218 Q219	Y211-I215 HydrophobicContact CD1-CD1 3.79Å; Y211-I215 HydrophobicContact CD2-CD1 4.33Å; Y211-I215 HydrophobicContact CD2-CG1 4.5Å; Y211-I215 HydrophobicContact CE1-CD1 3.5Å; Y211-I215 VanDerWaalsContact CE1-CD1 3.5Å; Y211-I215 HydrophobicContact CE1-CG1 4.49Å; Y211-I215 HydrophobicContact CE2-CD1 4.05Å; Y211-I215 HydrophobicContact CE2-CG1 4.2Å; Y211-I215 HydrophobicContact CG-CD1 4.19Å; Y211-I215 PolarHBondContact O-N 2.99Å; I215-R217 PolarHBondContact O-N 3.14Å; I215-A218 PolarHBondContact O-N 3.12Å; I215-A218 VanDerWaalsContact O-N 3.11Å; I215-Q219 HydrophobicContact CG2-CG 4.15Å; I215-Q219 WeakPolarHBondContact O-CG 3.43Å; I215-Q219 PolarHBondContact O-N 3.41Å
216	R	77.3	Confident	71.9	Confident	142 Å²	142	96.3 Å²	96.3	54%	0.536	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-30.4	-178.5	-74.4	-178	-173.7	179.3	6.6	113.3	Y212 K220	Y212-R216 WeakPolarHBondContact O-CB 3.33Å; Y212-R216 VanDerWaalsContact O-CG 3.29Å; Y212-R216 WeakPolarHBondContact O-CG 3.47Å; Y212-R216 PolarHBondContact O-N 3.26Å; R216-K220 PolarHBondContact O-N 3.29Å
217	R	77.6	Confident	70.2	Confident	180 Å²	180	95.7 Å²	95.7	68%	0.679	48%	0.483	S	S	*	.	H	α-helix	trans	-69.6	-48	172.2	-78.3	175.9	172	-170.6	-4.2	111.5	R213 R214 I215 Q219 K220 S221	R213-R217 WeakPolarHBondContact O-CB 3.32Å; R213-R217 VanDerWaalsContact O-CG 3.28Å; R213-R217 WeakPolarHBondContact O-CG 3.25Å; R213-R217 PolarHBondContact O-N 2.87Å; R213-R217 VanDerWaalsContact O-N 3.12Å; R214-R217 PolarHBondContact O-N 3.18Å; I215-R217 PolarHBondContact O-N 3.14Å; R217-Q219 VanDerWaalsContact C-N 3.33Å; R217-Q219 PolarHBondContact O-N 2.71Å; R217-K220 PolarHBondContact O-N 3.47Å; R217-S221 PolarHBondContact O-N 2.77Å; R217-S221 PolarHBondContact O-OG 3.22Å
218	A	71.1	Confident	68.2	Low	54 Å²	54	96.9 Å²	96.9	45%	0.446	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-36.5	178.4	0	0	0	0	0	113	R214 I215 S221 K222	R214-A218 PolarHBondContact O-N 3.26Å; I215-A218 PolarHBondContact O-N 3.12Å; I215-A218 VanDerWaalsContact O-N 3.11Å; A218-S221 WeakPolarHBondContact CA-OG 3.42Å; A218-S221 PolarHBondContact O-OG 3.29Å; A218-K222 PolarHBondContact O-N 3.37Å
219	Q	74.2	Confident	66.3	Low	112 Å²	112	98.6 Å²	98.6	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-44.4	172.7	-74.2	173.8	-28.1	0	0	111.7	I215 R217 K222 Q223	I215-Q219 HydrophobicContact CG2-CG 4.15Å; I215-Q219 WeakPolarHBondContact O-CG 3.43Å; I215-Q219 PolarHBondContact O-N 3.41Å; R217-Q219 VanDerWaalsContact C-N 3.33Å; R217-Q219 PolarHBondContact O-N 2.71Å; Q219-K222 PolarHBondContact O-N 3.02Å; Q219-Q223 PolarHBondContact O-N 3.23Å; Q219-Q223 VanDerWaalsContact O-N 3.09Å
220	K	72.9	Confident	64.5	Low	121 Å²	121	102.3 Å²	102.3	53%	0.526	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-45.5	177.1	-170.6	172.1	-172.1	-83.2	0	111.9	R216 R217 K222 Q223 E224	R216-K220 PolarHBondContact O-N 3.29Å; R217-K220 PolarHBondContact O-N 3.47Å; K220-K222 VanDerWaalsContact C-N 3.3Å; K220-K222 PolarHBondContact O-N 3.47Å; K220-Q223 PolarHBondContact O-N 2.97Å; K220-E224 IonicContact NZ-OE1 2.57Å; K220-E224 PolarHBondContact NZ-OE1 2.95Å; K220-E224 IonicContact NZ-OE2 2.63Å; K220-E224 WeakPolarHBondContact O-CG 3.43Å; K220-E224 PolarHBondContact O-N 3.19Å
221	S	68.7	Low	62.4	Low	64 Å²	64	107.3 Å²	107.3	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-65.5	-30.8	178.1	55.6	0	0	0	0	113.3	R217 A218 E224 S225	R217-S221 PolarHBondContact O-N 2.77Å; R217-S221 PolarHBondContact O-OG 3.22Å; A218-S221 WeakPolarHBondContact CA-OG 3.42Å; A218-S221 PolarHBondContact O-OG 3.29Å; S221-E224 PolarHBondContact O-N 2.99Å; S221-S225 PolarHBondContact O-N 2.71Å; S221-S225 PolarHBondContact O-OG 3.05Å
222	K	65	Low	60.6	Low	159 Å²	159	107.7 Å²	107.7	69%	0.691	58%	0.579	S	S	*	*	H	α-helix	trans	-68.9	-39.2	171.9	-79.8	-169.3	173.7	-170.2	0	112.6	A218 Q219 K220 E224 S225 S226	A218-K222 PolarHBondContact O-N 3.37Å; Q219-K222 PolarHBondContact O-N 3.02Å; K220-K222 VanDerWaalsContact C-N 3.3Å; K220-K222 PolarHBondContact O-N 3.47Å; K222-E224 VanDerWaalsContact C-N 3.29Å; K222-E224 PolarHBondContact O-N 3.44Å; K222-S225 PolarHBondContact O-N 3.04Å; K222-S225 PolarHBondContact O-OG 3.44Å; K222-S225 VanDerWaalsContact O-OG 3.07Å; K222-S226 PolarHBondContact O-N 3.14Å; K222-S226 VanDerWaalsContact O-N 3.12Å; K222-S226 PolarHBondContact O-OG 2.96Å
223	Q	58.4	Low	58.5	Low	142 Å²	142	113.6 Å²	113.6	66%	0.664	61%	0.612	S	S	*	*	H	α-helix	trans	-67.2	-29.2	175	-73	-175.1	-40	0	0	112.9	Q219 K220	Q219-Q223 PolarHBondContact O-N 3.23Å; Q219-Q223 VanDerWaalsContact O-N 3.09Å; K220-Q223 PolarHBondContact O-N 2.97Å
224	E	59.9	Low	56.6	Low	131 Å²	131	115.5 Å²	115.5	61%	0.612	64%	0.638	S	S	*	*	H	α-helix	trans	-79.1	-16.4	176.2	-71.1	170.8	158.1	0	0	113.1	K220 S221 K222	K220-E224 IonicContact NZ-OE1 2.57Å; K220-E224 PolarHBondContact NZ-OE1 2.95Å; K220-E224 IonicContact NZ-OE2 2.63Å; K220-E224 WeakPolarHBondContact O-CG 3.43Å; K220-E224 PolarHBondContact O-N 3.19Å; S221-E224 PolarHBondContact O-N 2.99Å; K222-E224 VanDerWaalsContact C-N 3.29Å; K222-E224 PolarHBondContact O-N 3.44Å
225	S	56.7	Low	54.6	Low	93 Å²	93	118.1 Å²	118.1	65%	0.65	66%	0.66	S	S	*	*	H	α-helix	trans	-101.4	-26.7	178.6	61.3	0	0	0	0	115.2	S221 K222 G227	S221-S225 PolarHBondContact O-N 2.71Å; S221-S225 PolarHBondContact O-OG 3.05Å; K222-S225 PolarHBondContact O-N 3.04Å; K222-S225 PolarHBondContact O-OG 3.44Å; K222-S225 VanDerWaalsContact O-OG 3.07Å; S225-G227 PolarHBondContact O-N 3.25Å; S225-G227 VanDerWaalsContact O-N 3.13Å
226	S	52.2	Low	53	Low	96 Å²	96	121 Å²	121	67%	0.671	69%	0.686	S	S	*	*			trans	-83.3	26.3	-178.1	72.5	0	0	0	0	114.1	K222 G228	K222-S226 PolarHBondContact O-N 3.14Å; K222-S226 VanDerWaalsContact O-N 3.12Å; K222-S226 PolarHBondContact O-OG 2.96Å; S226-G228 PolarHBondContact O-N 3.04Å
227	G	43.2	Very low	51	Low	79 Å²	79	121.9 Å²	121.9	81%	0.814	70%	0.701	S	S	*	*			trans	-86.7	12.9	-171.1	0	0	0	0	0	115.9	S225	S225-G227 PolarHBondContact O-N 3.25Å; S225-G227 VanDerWaalsContact O-N 3.13Å
228	G	35.3	Very low	49	Very low	60 Å²	60	121.1 Å²	121.1	62%	0.619	71%	0.711	S	S	*	*			trans	-154	145.2	-174.5	0	0	0	0	0	115.8	S226	S226-G228 PolarHBondContact O-N 3.04Å
229	I	36.7	Very low	47.3	Very low	166 Å²	166	121.5 Å²	121.5	85%	0.851	72%	0.72	S	S	*	*			trans	74.2	81.2	162.3	-45.8	179.1	0	0	0	116.8
230	I	38.6	Very low	45.5	Very low	147 Å²	147	124.4 Å²	124.4	75%	0.754	74%	0.738	S	S	*	*				16.6	127.1	122.6	-59.2	166.1	0	0	0	118.2
231	S	35.4	Very low	43.7	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	76%	0.757	S	S	*	*			trans	39.4	152.1	145.6	-53.1	0	0	0	0	121.1
232	V	38.1	Very low	42.3	Very low	134 Å²	134	129.6 Å²	129.6	81%	0.812	77%	0.768	S	S	*	*			cis	-149.7	176.8	40.2	-148.9	0	0	0	0	111.7
233	D	35.6	Very low	41	Very low	140 Å²	140	130 Å²	130	75%	0.749	78%	0.778	S	S	*	*			trans	-84.2	155.1	-165.2	-38.3	-92.7	0	0	0	116.5
234	S	41.3	Very low	40.1	Very low	119 Å²	119	129 Å²	129	83%	0.832	78%	0.782	S	S	*	*				168.7	153.6	116.9	-75.4	0	0	0	0	113.8
235	N	34.2	Very low	39.2	Very low	171 Å²	171	130.5 Å²	130.5	91%	0.914	79%	0.794	S	S	*	*			trans	-91.9	148.6	-176.3	-66.3	-30.2	0	0	0	114.1
236	S	39.9	Very low	38.3	Very low	126 Å²	126	132.9 Å²	132.9	88%	0.881	80%	0.799	S	S	*	*			trans	-141.6	139.4	141.2	57	0	0	0	0	108.6
237	N	35.5	Very low	37.9	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	81%	0.809	S	S	*	*			trans	-131.3	129.7	-169.3	-176.9	65	0	0	0	109.6
238	D	37.2	Very low	37.6	Very low	165 Å²	165	140.4 Å²	140.4	88%	0.882	81%	0.813	S	S	*	*			trans	-150.1	149.1	168.2	-149.3	-12.5	0	0	0	109.9
239	G	34	Very low	38.1	Very low	62 Å²	62	144.9 Å²	144.9	64%	0.639	82%	0.822	S	S	*	*			trans	-104.7	145.2	-155.5	0	0	0	0	0	116.1
240	L	37.8	Very low	38.2	Very low	173 Å²	173	143 Å²	143	91%	0.906	81%	0.813	S	S	*	*			trans	-146.8	129.5	157.9	-154.1	76	0	0	0	109.1
241	E	34.3	Very low	38.3	Very low	198 Å²	198	142.2 Å²	142.2	93%	0.925	80%	0.804	S	S	*	*			trans	-86.3	134.4	-174.9	-63	175.7	149	0	0	110.9
242	S	38.9	Very low	38.7	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	80%	0.801	S	S	*	*			trans	-153.7	126.8	169.8	66.5	0	0	0	0	110.2	T244	S242-T244 PolarHBondContact O-N 3.28Å
243	D	38.1	Very low	38.8	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	79%	0.792	S	S	*	*			trans	-64.8	121.6	-175.5	-53.4	-70.2	0	0	0	112.2
244	T	39	Very low	39.1	Very low	122 Å²	122	135.1 Å²	135.1	75%	0.748	77%	0.768	S	S	*	*			trans	-131.6	90.7	172.8	59.2	0	0	0	0	110.5	S242 D246	S242-T244 PolarHBondContact O-N 3.28Å; T244-D246 PolarHBondContact O-N 2.91Å; T244-D246 VanDerWaalsContact O-N 3.12Å
245	D	40.5	Very low	39.1	Very low	161 Å²	161	138.6 Å²	138.6	86%	0.861	77%	0.771	S	S	*	*			trans	-63.7	109.5	178.4	-78.1	-32.8	0	0	0	112.4
246	D	38.6	Very low	39.9	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	74%	0.737	S	S	*	*	S	Bend	trans	26.3	108.5	148.8	-76.2	-25	0	0	0	118.9	T244	T244-D246 PolarHBondContact O-N 2.91Å; T244-D246 VanDerWaalsContact O-N 3.12Å
247	N	42.8	Very low	40.6	Very low	163 Å²	163	129 Å²	129	87%	0.872	73%	0.726	S	S	*	*			trans	-164.1	-16.6	131.9	-115.8	-91.6	0	0	0	115.3	L249	N247-L249 PolarHBondContact O-N 3.01Å
248	D	38.8	Very low	41.8	Very low	170 Å²	170	127 Å²	127	91%	0.909	71%	0.711	S	S	*	*			trans	-82.7	42.2	-167.7	-121.9	-9.1	0	0	0	115	I250	D248-I250 PolarHBondContact O-N 3.32Å
249	L	44.1	Very low	43	Very low	153 Å²	153	122.7 Å²	122.7	80%	0.801	69%	0.687	S	S	*	*			trans	-80.9	86.3	176.3	-167.6	68.5	0	0	0	112.2	N247 K251	N247-L249 PolarHBondContact O-N 3.01Å; L249-K251 PolarHBondContact O-N 3.09Å
250	I	39.8	Very low	44.1	Very low	128 Å²	128	127.5 Å²	127.5	66%	0.656	69%	0.686	S	S	*	*			trans	18.4	101.6	148.9	-50.3	176.1	0	0	0	115.5	D248 T252	D248-I250 PolarHBondContact O-N 3.32Å; I250-T252 HydrophobicContact CG2-CG2 4.01Å
251	K	41.5	Very low	45.3	Very low	129 Å²	129	125 Å²	125	56%	0.561	67%	0.673	S	S	*	*			trans	-115.4	72.8	154.3	-67.1	-154.6	176.4	-158.4	0	111.6	L249	L249-K251 PolarHBondContact O-N 3.09Å
252	T	42.6	Very low	47	Very low	113 Å²	113	119.6 Å²	119.6	69%	0.693	65%	0.648	S	S	*	*			trans	-48.4	138.5	150.7	41.9	0	0	0	0	108.9	I250 A254	I250-T252 HydrophobicContact CG2-CG2 4.01Å; T252-A254 PolarHBondContact O-N 3.09Å
253	S	40.4	Very low	48.5	Very low	87 Å²	87	118 Å²	118	61%	0.608	63%	0.63	S	S	*	*			trans	-73.2	93.4	-169.7	60.1	0	0	0	0	111.1	Q255	S253-Q255 WeakPolarHBondContact O-CG 3.46Å; S253-Q255 PolarHBondContact O-N 3.46Å
254	A	41.2	Very low	50.3	Low	31 Å²	31	111.9 Å²	111.9	26%	0.256	61%	0.606	S	S	.	*			trans	-57.9	108.3	179.7	0	0	0	0	0	111.4	T252 G256 I259	T252-A254 PolarHBondContact O-N 3.09Å; A254-G256 PolarHBondContact O-N 3.38Å; A254-I259 HydrophobicContact CB-CB 4Å; A254-I259 HydrophobicContact CB-CD1 4.18Å; A254-I259 HydrophobicContact CB-CG2 3.59Å
255	Q	41.8	Very low	52.3	Low	192 Å²	192	110.9 Å²	110.9	90%	0.897	60%	0.596	S	S	*	*			trans	-81.3	62.3	-174.5	-60.2	-170.9	1.8	0	0	111.6	S253	S253-Q255 WeakPolarHBondContact O-CG 3.46Å; S253-Q255 PolarHBondContact O-N 3.46Å
256	G	51.6	Low	54.1	Low	19 Å²	19	108.4 Å²	108.4	20%	0.196	58%	0.581	C	S	.	*			trans	-152.1	150	177.7	0	0	0	0	0	112.1	A254 R260	A254-G256 PolarHBondContact O-N 3.38Å; G256-R260 PolarHBondContact O-NE 2.86Å; G256-R260 PolarHBondContact O-NH2 3.38Å
257	A	53.2	Low	55.9	Low	78 Å²	78	106 Å²	106	65%	0.645	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-45.5	166.2	0	0	0	0	0	110.2	R260 L261	A257-R260 PolarHBondContact O-N 3.33Å; A257-L261 PolarHBondContact O-N 3.35Å
258	Q	62	Low	57.6	Low	117 Å²	117	101 Å²	101	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-55.5	-56.7	-178.7	-169.4	62.2	21.1	0	0	113.1	R260 L261 E262	Q258-R260 PolarHBondContact O-N 3.36Å; Q258-R260 VanDerWaalsContact O-N 3.15Å; Q258-L261 WeakPolarHBondContact O-CA 3.5Å; Q258-L261 VanDerWaalsContact O-CB 3.31Å; Q258-L261 WeakPolarHBondContact O-CB 3.33Å; Q258-L261 PolarHBondContact O-N 2.92Å; Q258-E262 VanDerWaalsContact CG-OE1 3.28Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.3Å; Q258-E262 PolarHBondContact NE2-OE1 3.01Å; Q258-E262 PolarHBondContact O-N 3.09Å
259	I	62.3	Low	59.6	Low	73 Å²	73	96.6 Å²	96.6	37%	0.374	53%	0.525	S	S	.	.	H	α-helix	trans	-60	-31.9	-178.2	-51.7	166.1	0	0	0	111.9	A254 Q263	A254-I259 HydrophobicContact CB-CB 4Å; A254-I259 HydrophobicContact CB-CD1 4.18Å; A254-I259 HydrophobicContact CB-CG2 3.59Å; I259-Q263 HydrophobicContact CG2-CG 4.31Å; I259-Q263 VanDerWaalsContact O-CB 3.29Å; I259-Q263 WeakPolarHBondContact O-CB 3.31Å; I259-Q263 VanDerWaalsContact O-CG 3.26Å; I259-Q263 WeakPolarHBondContact O-CG 3.32Å; I259-Q263 PolarHBondContact O-N 2.92Å
260	R	57.4	Low	61.4	Low	164 Å²	164	93.1 Å²	93.1	62%	0.619	51%	0.513	S	S	*	.	H	α-helix	trans	-73.1	-27.9	175.2	-76.1	-179.8	-70.7	177.8	-2.2	112.9	G256 A257 Q258 G264	G256-R260 PolarHBondContact O-NE 2.86Å; G256-R260 PolarHBondContact O-NH2 3.38Å; A257-R260 PolarHBondContact O-N 3.33Å; Q258-R260 PolarHBondContact O-N 3.36Å; Q258-R260 VanDerWaalsContact O-N 3.15Å; R260-G264 PolarHBondContact O-N 3.42Å; R260-G264 VanDerWaalsContact O-N 3.09Å
261	L	63.5	Low	63.3	Low	119 Å²	119	93 Å²	93	62%	0.623	51%	0.508	S	S	*	.	H	α-helix	trans	-75.7	-44.8	174.5	-154.5	164.1	0	0	0	110	A257 Q258 G264 L265	A257-L261 PolarHBondContact O-N 3.35Å; Q258-L261 WeakPolarHBondContact O-CA 3.5Å; Q258-L261 VanDerWaalsContact O-CB 3.31Å; Q258-L261 WeakPolarHBondContact O-CB 3.33Å; Q258-L261 PolarHBondContact O-N 2.92Å; L261-G264 CarbonylContact O-C 3.6Å; L261-G264 WeakPolarHBondContact O-CA 3.2Å; L261-G264 PolarHBondContact O-N 3.23Å; L261-G264 VanDerWaalsContact O-N 3.09Å; L261-L265 PolarHBondContact O-N 3.01Å
262	E	69.7	Low	65.5	Low	86 Å²	86	93.6 Å²	93.6	40%	0.402	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-47.9	175.6	-71.3	158.2	176.4	0	0	112.2	Q258 G264 L265 I266	Q258-E262 VanDerWaalsContact CG-OE1 3.28Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.3Å; Q258-E262 PolarHBondContact NE2-OE1 3.01Å; Q258-E262 PolarHBondContact O-N 3.09Å; E262-G264 PolarHBondContact O-N 3.08Å; E262-L265 PolarHBondContact O-N 3.25Å; E262-L265 VanDerWaalsContact O-N 3.14Å; E262-I266 WeakPolarHBondContact O-CG1 3.46Å; E262-I266 PolarHBondContact O-N 3.17Å
263	Q	70.7	Confident	67.6	Low	62 Å²	62	91.4 Å²	91.4	29%	0.29	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-29.5	171	-72.5	-173.5	15.5	0	0	112.5	I259 N267	I259-Q263 HydrophobicContact CG2-CG 4.31Å; I259-Q263 VanDerWaalsContact O-CB 3.29Å; I259-Q263 WeakPolarHBondContact O-CB 3.31Å; I259-Q263 VanDerWaalsContact O-CG 3.26Å; I259-Q263 WeakPolarHBondContact O-CG 3.32Å; I259-Q263 PolarHBondContact O-N 2.92Å; Q263-N267 VanDerWaalsContact O-CB 3.25Å; Q263-N267 WeakPolarHBondContact O-CB 3.39Å; Q263-N267 VanDerWaalsContact O-CG 3.27Å; Q263-N267 PolarHBondContact O-N 3.28Å; Q263-N267 PolarHBondContact O-OD1 3.22Å
264	G	74.2	Confident	69.8	Low	39 Å²	39	94.5 Å²	94.5	40%	0.402	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-43.2	172.4	0	0	0	0	0	112.2	R260 L261 E262 A268	R260-G264 PolarHBondContact O-N 3.42Å; R260-G264 VanDerWaalsContact O-N 3.09Å; L261-G264 CarbonylContact O-C 3.6Å; L261-G264 WeakPolarHBondContact O-CA 3.2Å; L261-G264 PolarHBondContact O-N 3.23Å; L261-G264 VanDerWaalsContact O-N 3.09Å; E262-G264 PolarHBondContact O-N 3.08Å; G264-A268 WeakPolarHBondContact O-CB 3.43Å; G264-A268 PolarHBondContact O-N 3.16Å
265	L	81.1	Confident	71.8	Confident	101 Å²	101	97.8 Å²	97.8	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-46.9	176.7	179.9	60.9	0	0	0	111.8	L261 E262 N267 A268 L269	L261-L265 PolarHBondContact O-N 3.01Å; E262-L265 PolarHBondContact O-N 3.25Å; E262-L265 VanDerWaalsContact O-N 3.14Å; L265-N267 PolarHBondContact O-N 3.41Å; L265-A268 WeakPolarHBondContact O-CB 3.45Å; L265-A268 PolarHBondContact O-N 3.31Å; L265-A268 VanDerWaalsContact O-N 3.09Å; L265-L269 HydrophobicContact CD1-CD1 4.34Å; L265-L269 HydrophobicContact CD1-CG 4.33Å; L265-L269 HydrophobicContact CG-CD1 4.21Å; L265-L269 WeakPolarHBondContact O-CG 3.32Å; L265-L269 PolarHBondContact O-N 2.84Å
266	I	78.7	Confident	73.8	Confident	108 Å²	108	92.9 Å²	92.9	55%	0.554	49%	0.485	S	S	*	.	H	α-helix	trans	-59.5	-46.9	176.8	-65.9	163.9	0	0	0	110.4	E262 A268 L269 C270	E262-I266 WeakPolarHBondContact O-CG1 3.46Å; E262-I266 PolarHBondContact O-N 3.17Å; I266-A268 VanDerWaalsContact C-N 3.28Å; I266-A268 PolarHBondContact O-N 3.08Å; I266-L269 PolarHBondContact O-N 2.86Å; I266-C270 WeakPolarHBondContact O-CB 3.14Å; I266-C270 PolarHBondContact O-N 3.17Å
267	N	77	Confident	75.1	Confident	95 Å²	95	96.4 Å²	96.4	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-35	175	-81.8	33.9	0	0	0	112.6	Q263 L265 K271	Q263-N267 VanDerWaalsContact O-CB 3.25Å; Q263-N267 WeakPolarHBondContact O-CB 3.39Å; Q263-N267 VanDerWaalsContact O-CG 3.27Å; Q263-N267 PolarHBondContact O-N 3.28Å; Q263-N267 PolarHBondContact O-OD1 3.22Å; L265-N267 PolarHBondContact O-N 3.41Å; N267-K271 VanDerWaalsContact O-CB 3.32Å; N267-K271 WeakPolarHBondContact O-CB 3.46Å; N267-K271 PolarHBondContact O-N 2.87Å; N267-K271 VanDerWaalsContact O-N 3.11Å
268	A	78.2	Confident	76.7	Confident	56 Å²	56	98.4 Å²	98.4	46%	0.463	49%	0.491	S	S	.	.	H	α-helix	trans	-72.5	-41.3	178.6	0	0	0	0	0	112.4	G264 L265 I266 K271 R272	G264-A268 WeakPolarHBondContact O-CB 3.43Å; G264-A268 PolarHBondContact O-N 3.16Å; L265-A268 WeakPolarHBondContact O-CB 3.45Å; L265-A268 PolarHBondContact O-N 3.31Å; L265-A268 VanDerWaalsContact O-N 3.09Å; I266-A268 VanDerWaalsContact C-N 3.28Å; I266-A268 PolarHBondContact O-N 3.08Å; A268-K271 PolarHBondContact O-N 3.3Å; A268-R272 PolarHBondContact O-N 2.63Å
269	L	81.5	Confident	77.6	Confident	78 Å²	78	98.4 Å²	98.4	41%	0.408	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-52.5	174.7	-69.3	171.1	0	0	0	110.8	L265 I266 K271 R272 D273	L265-L269 HydrophobicContact CD1-CD1 4.34Å; L265-L269 HydrophobicContact CD1-CG 4.33Å; L265-L269 HydrophobicContact CG-CD1 4.21Å; L265-L269 WeakPolarHBondContact O-CG 3.32Å; L265-L269 PolarHBondContact O-N 2.84Å; I266-L269 PolarHBondContact O-N 2.86Å; L269-K271 PolarHBondContact O-N 3.12Å; L269-R272 WeakPolarHBondContact O-CA 3.45Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 2.92Å; L269-D273 PolarHBondContact O-N 2.84Å
270	C	80.4	Confident	78.5	Confident	81 Å²	81	100 Å²	100	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-54.7	-39.7	175.6	176.7	0	0	0	0	112.5	I266 D273 K274	I266-C270 WeakPolarHBondContact O-CB 3.14Å; I266-C270 PolarHBondContact O-N 3.17Å; C270-D273 PolarHBondContact O-N 3.22Å; C270-K274 WeakPolarHBondContact O-CB 3.39Å; C270-K274 PolarHBondContact O-N 3.13Å
271	K	79.9	Confident	79.5	Confident	126 Å²	126	92.9 Å²	92.9	55%	0.548	48%	0.483	S	S	.	.	H	α-helix	trans	-71.7	-33.6	176.3	-170.8	170.7	-178.9	177.9	0	113.3	N267 A268 L269 L275	N267-K271 VanDerWaalsContact O-CB 3.32Å; N267-K271 WeakPolarHBondContact O-CB 3.46Å; N267-K271 PolarHBondContact O-N 2.87Å; N267-K271 VanDerWaalsContact O-N 3.11Å; A268-K271 PolarHBondContact O-N 3.3Å; L269-K271 PolarHBondContact O-N 3.12Å; K271-L275 WeakPolarHBondContact O-CD1 3.4Å; K271-L275 VanDerWaalsContact O-CG 3.32Å; K271-L275 WeakPolarHBondContact O-CG 3.37Å; K271-L275 PolarHBondContact O-N 3.38Å
272	R	87.5	Confident	80.4	Confident	141 Å²	141	89 Å²	89	53%	0.532	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-49.3	169.9	-178.7	-160.1	71.1	161.7	-1.3	109.9	A268 L269 K274 L275 L276	A268-R272 PolarHBondContact O-N 2.63Å; L269-R272 WeakPolarHBondContact O-CA 3.45Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 2.92Å; R272-K274 VanDerWaalsContact C-N 3.35Å; R272-K274 PolarHBondContact O-N 2.75Å; R272-L275 WeakPolarHBondContact O-CB 3.38Å; R272-L275 PolarHBondContact O-N 3.14Å; R272-L276 HydrophobicContact CG-CD1 3.99Å; R272-L276 HydrophobicContact CG-CG 4.46Å; R272-L276 WeakPolarHBondContact O-CG 3.33Å; R272-L276 PolarHBondContact O-N 3.11Å
273	D	88.3	Confident	80.6	Confident	67 Å²	67	88.4 Å²	88.4	36%	0.358	48%	0.475	S	S	.	.	H	α-helix	trans	-67.8	-38.4	-172.2	-60.2	-18.9	0	0	0	111	L269 C270 L275 L276 E277	L269-D273 PolarHBondContact O-N 2.84Å; C270-D273 PolarHBondContact O-N 3.22Å; D273-L275 VanDerWaalsContact C-N 3.32Å; D273-L275 PolarHBondContact O-N 3.39Å; D273-L276 PolarHBondContact O-N 2.9Å; D273-E277 PolarHBondContact O-N 2.93Å
274	K	84.7	Confident	80.7	Confident	152 Å²	152	94.7 Å²	94.7	66%	0.661	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-29.3	170.8	-174	159.9	-172.5	152.4	0	114.2	C270 R272 F278	C270-K274 WeakPolarHBondContact O-CB 3.39Å; C270-K274 PolarHBondContact O-N 3.13Å; R272-K274 VanDerWaalsContact C-N 3.35Å; R272-K274 PolarHBondContact O-N 2.75Å; K274-F278 WeakPolarHBondContact O-CB 3.49Å; K274-F278 PolarHBondContact O-N 3.2Å; K274-F278 VanDerWaalsContact O-N 3.08Å
275	L	83.7	Confident	80.7	Confident	99 Å²	99	101 Å²	101	52%	0.518	51%	0.508	S	S	.	.	H	α-helix	trans	-75.9	-39.7	173.1	-74.7	166.6	0	0	0	111.3	K271 R272 D273 F278 D279	K271-L275 WeakPolarHBondContact O-CD1 3.4Å; K271-L275 VanDerWaalsContact O-CG 3.32Å; K271-L275 WeakPolarHBondContact O-CG 3.37Å; K271-L275 PolarHBondContact O-N 3.38Å; R272-L275 WeakPolarHBondContact O-CB 3.38Å; R272-L275 PolarHBondContact O-N 3.14Å; D273-L275 VanDerWaalsContact C-N 3.32Å; D273-L275 PolarHBondContact O-N 3.39Å; L275-F278 PolarHBondContact O-N 3.19Å; L275-D279 PolarHBondContact O-N 3.26Å
276	L	83.6	Confident	80.3	Confident	89 Å²	89	100.8 Å²	100.8	47%	0.466	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-41	174	-66.6	170.6	0	0	0	111.8	R272 D273 F278 D279 T280	R272-L276 HydrophobicContact CG-CD1 3.99Å; R272-L276 HydrophobicContact CG-CG 4.46Å; R272-L276 WeakPolarHBondContact O-CG 3.33Å; R272-L276 PolarHBondContact O-N 3.11Å; D273-L276 PolarHBondContact O-N 2.9Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-D279 PolarHBondContact O-N 2.95Å; L276-T280 WeakPolarHBondContact O-CB 3.39Å; L276-T280 WeakPolarHBondContact O-CG2 3.09Å; L276-T280 PolarHBondContact O-N 2.79Å; L276-T280 PolarHBondContact O-OG1 2.98Å
277	E	80.2	Confident	79.8	Confident	94 Å²	94	101.8 Å²	101.8	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-40.8	171	-162.6	-141	134.9	0	0	111.2	D273 T280 T281 R285	D273-E277 PolarHBondContact O-N 2.93Å; E277-T280 WeakPolarHBondContact CA-OG1 3.27Å; E277-T280 PolarHBondContact O-OG1 3.22Å; E277-T281 HydrophobicContact CG-CG2 4.21Å; E277-T281 VanDerWaalsContact O-CB 3.26Å; E277-T281 WeakPolarHBondContact O-CB 3.26Å; E277-T281 VanDerWaalsContact O-CG2 3.27Å; E277-T281 WeakPolarHBondContact O-CG2 3.42Å; E277-T281 PolarHBondContact O-N 3.49Å; E277-T281 PolarHBondContact O-OG1 2.62Å; E277-R285 IonicContact OE1-CZ 3.52Å; E277-R285 IonicContact OE1-NH1 2.77Å; E277-R285 PolarHBondContact OE1-NH1 3.2Å; E277-R285 IonicContact OE1-NH2 2.71Å
278	F	85.8	Confident	79.5	Confident	120 Å²	120	103.3 Å²	103.3	53%	0.526	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-53.5	174.9	-174.4	-94.8	0	0	0	111.6	K274 L275 L276 T280 T281 C282	K274-F278 WeakPolarHBondContact O-CB 3.49Å; K274-F278 PolarHBondContact O-N 3.2Å; K274-F278 VanDerWaalsContact O-N 3.08Å; L275-F278 PolarHBondContact O-N 3.19Å; L276-F278 VanDerWaalsContact C-N 3.33Å; F278-T280 VanDerWaalsContact C-N 3.33Å; F278-T280 PolarHBondContact O-N 3.18Å; F278-T281 PolarHBondContact O-N 2.74Å; F278-C282 HydrophobicContact CD1-CB 4.38Å; F278-C282 HydrophobicContact CE1-CB 4.09Å; F278-C282 HydrophobicContact CZ-CB 4.27Å; F278-C282 WeakPolarHBondContact O-CA 3.43Å; F278-C282 WeakPolarHBondContact O-CB 3.35Å; F278-C282 PolarHBondContact O-N 2.68Å
279	D	81.9	Confident	78.6	Confident	116 Å²	116	105.8 Å²	105.8	62%	0.62	53%	0.525	S	S	*	.	H	α-helix	trans	-61.6	-40.1	-177.4	-71.9	-14.7	0	0	0	112	L275 L276	L275-D279 PolarHBondContact O-N 3.26Å; L276-D279 PolarHBondContact O-N 2.95Å
280	T	79.9	Confident	77.7	Confident	107 Å²	107	105.4 Å²	105.4	66%	0.656	52%	0.523	S	S	*	.	H	α-helix	trans	-71.6	-33.7	176.5	51.1	0	0	0	0	113.9	L276 E277 F278	L276-T280 WeakPolarHBondContact O-CB 3.39Å; L276-T280 WeakPolarHBondContact O-CG2 3.09Å; L276-T280 PolarHBondContact O-N 2.79Å; L276-T280 PolarHBondContact O-OG1 2.98Å; E277-T280 WeakPolarHBondContact CA-OG1 3.27Å; E277-T280 PolarHBondContact O-OG1 3.22Å; F278-T280 VanDerWaalsContact C-N 3.33Å; F278-T280 PolarHBondContact O-N 3.18Å
281	T	79.8	Confident	76.6	Confident	14 Å²	14	107.8 Å²	107.8	9%	0.086	53%	0.53	C	S	.	.	H	α-helix	trans	-94.2	-16.7	-178.9	63.3	0	0	0	0	113.9	E277 F278 A283 R284 R285	E277-T281 HydrophobicContact CG-CG2 4.21Å; E277-T281 VanDerWaalsContact O-CB 3.26Å; E277-T281 WeakPolarHBondContact O-CB 3.26Å; E277-T281 VanDerWaalsContact O-CG2 3.27Å; E277-T281 WeakPolarHBondContact O-CG2 3.42Å; E277-T281 PolarHBondContact O-N 3.49Å; E277-T281 PolarHBondContact O-OG1 2.62Å; F278-T281 PolarHBondContact O-N 2.74Å; T281-A283 PolarHBondContact O-N 2.81Å; T281-R284 CarbonylContact O-C 3.52Å; T281-R284 PolarHBondContact O-N 2.9Å; T281-R284 VanDerWaalsContact O-N 3.13Å; T281-R285 WeakPolarHBondContact O-CB 3.49Å; T281-R285 WeakPolarHBondContact O-CG 3.34Å; T281-R285 PolarHBondContact O-N 3.27Å; T281-R285 PolarHBondContact OG1-NH1 3.46Å
282	C	81.5	Confident	75.3	Confident	37 Å²	37	108.6 Å²	108.6	25%	0.25	54%	0.536	C	S	.	.	H	α-helix	trans	-57.7	-54.7	-174.8	-178	0	0	0	0	110.8	F278 R284 R285 T286	F278-C282 HydrophobicContact CD1-CB 4.38Å; F278-C282 HydrophobicContact CE1-CB 4.09Å; F278-C282 HydrophobicContact CZ-CB 4.27Å; F278-C282 WeakPolarHBondContact O-CA 3.43Å; F278-C282 WeakPolarHBondContact O-CB 3.35Å; F278-C282 PolarHBondContact O-N 2.68Å; C282-R284 PolarHBondContact O-N 3.42Å; C282-R284 VanDerWaalsContact O-N 3.13Å; C282-R285 CarbonylContact O-C 3.57Å; C282-R285 PolarHBondContact O-N 3.41Å; C282-T286 WeakPolarHBondContact O-CG2 3.37Å; C282-T286 PolarHBondContact O-N 3.35Å; C282-T286 PolarHBondContact O-OG1 3.29Å; C282-T286 VanDerWaalsContact O-OG1 3.07Å
283	A	74.6	Confident	73.6	Confident	74 Å²	74	107.1 Å²	107.1	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-57.5	-31.4	178.6	0	0	0	0	0	113.5	T281 R287	T281-A283 PolarHBondContact O-N 2.81Å; A283-R287 PolarHBondContact O-N 3.24Å
284	R	72.8	Confident	71.9	Confident	195 Å²	195	107.9 Å²	107.9	74%	0.736	54%	0.542	S	S	*	.	H	α-helix	trans	-78.6	-35.8	174.6	-172.1	174.4	66.9	171.4	0.1	112.6	T281 C282	T281-R284 CarbonylContact O-C 3.52Å; T281-R284 PolarHBondContact O-N 2.9Å; T281-R284 VanDerWaalsContact O-N 3.13Å; C282-R284 PolarHBondContact O-N 3.42Å; C282-R284 VanDerWaalsContact O-N 3.13Å
285	R	73.3	Confident	70.3	Confident	171 Å²	171	108 Å²	108	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-76.7	-22.1	176.8	-76.6	173.6	158.9	135.7	-6.1	112.8	E277 T281 C282	E277-R285 IonicContact OE1-CZ 3.52Å; E277-R285 IonicContact OE1-NH1 2.77Å; E277-R285 PolarHBondContact OE1-NH1 3.2Å; E277-R285 IonicContact OE1-NH2 2.71Å; T281-R285 WeakPolarHBondContact O-CB 3.49Å; T281-R285 WeakPolarHBondContact O-CG 3.34Å; T281-R285 PolarHBondContact O-N 3.27Å; T281-R285 PolarHBondContact OG1-NH1 3.46Å; C282-R285 CarbonylContact O-C 3.57Å; C282-R285 PolarHBondContact O-N 3.41Å
286	T	73.1	Confident	68.5	Low	96 Å²	96	109.6 Å²	109.6	59%	0.589	54%	0.542	S	S	*	.	S	Bend	trans	-104.4	4.5	175.3	66.3	0	0	0	0	113.6	C282 V288	C282-T286 WeakPolarHBondContact O-CG2 3.37Å; C282-T286 PolarHBondContact O-N 3.35Å; C282-T286 PolarHBondContact O-OG1 3.29Å; C282-T286 VanDerWaalsContact O-OG1 3.07Å; T286-V288 PolarHBondContact O-N 3.07Å
287	R	68.7	Low	67	Low	129 Å²	129	108.1 Å²	108.1	49%	0.487	54%	0.543	S	S	.	.			trans	-70.8	100	168.8	-179.7	176.7	176	-166.6	-5.8	107.5	A283 I289 N361	A283-R287 PolarHBondContact O-N 3.24Å; R287-I289 PolarHBondContact O-N 2.84Å; R287-N361 PolarHBondContact NH1-OD1 3.36Å
288	V	69.6	Low	65.7	Low	128 Å²	128	107.1 Å²	107.1	78%	0.776	54%	0.544	S	S	*	.			trans	-60.6	119.8	165	-178.3	0	0	0	0	106.9	T286	T286-V288 PolarHBondContact O-N 3.07Å
289	I	61	Low	63.8	Low	108 Å²	108	105.1 Å²	105.1	55%	0.554	54%	0.536	S	S	*	.			trans	-89	125.5	165.5	-60.6	170.5	0	0	0	104.9	R287	R287-I289 PolarHBondContact O-N 2.84Å
290	D	61.1	Low	62	Low	69 Å²	69	102.6 Å²	102.6	37%	0.369	54%	0.537	S	S	.	.			trans	-107.1	95.2	-179.8	-174.8	-34.8	0	0	0	107.2	E292 L293 D294	D290-E292 PolarHBondContact O-N 3.35Å; D290-E292 PolarHBondContact OD1-N 3.34Å; D290-L293 HydrophobicContact CB-CB 3.98Å; D290-L293 HydrophobicContact CB-CD1 4.05Å; D290-L293 HydrophobicContact CB-CG 4.2Å; D290-L293 PolarHBondContact O-N 3.18Å; D290-L293 VanDerWaalsContact O-N 3.17Å; D290-L293 PolarHBondContact OD1-N 3.29Å; D290-L293 WeakPolarHBondContact OD2-CD1 3.47Å; D290-L293 WeakPolarHBondContact OD2-CG 3.24Å; D290-D294 PolarHBondContact O-N 3.41Å
291	D	57.3	Low	60.2	Low	132 Å²	132	98.9 Å²	98.9	71%	0.706	52%	0.52	S	S	*	.	H	α-helix	trans	-62.5	-21.2	-175.6	-67.4	-29.1	0	0	0	112.4	Y295	D291-Y295 WeakPolarHBondContact O-CB 3.35Å
292	E	53.1	Low	58.5	Low	143 Å²	143	104.7 Å²	104.7	67%	0.668	56%	0.555	S	S	*	*	H	α-helix	trans	-79.5	-47.5	173	-61.6	-166.2	165	0	0	110.9	D290 F296	D290-E292 PolarHBondContact O-N 3.35Å; D290-E292 PolarHBondContact OD1-N 3.34Å; E292-F296 HydrophobicContact CB-CD2 4.38Å; E292-F296 WeakPolarHBondContact O-CB 3.42Å; E292-F296 WeakPolarHBondContact O-CD2 3.49Å; E292-F296 PolarHBondContact O-N 3.13Å
293	L	50.7	Low	57.1	Low	109 Å²	109	105.7 Å²	105.7	57%	0.571	57%	0.572	S	S	*	*	H	α-helix	trans	-61.4	-48.4	178.2	-76.6	178.7	0	0	0	112.4	D290 Y295 F296 A297	D290-L293 HydrophobicContact CB-CB 3.98Å; D290-L293 HydrophobicContact CB-CD1 4.05Å; D290-L293 HydrophobicContact CB-CG 4.2Å; D290-L293 PolarHBondContact O-N 3.18Å; D290-L293 VanDerWaalsContact O-N 3.17Å; D290-L293 PolarHBondContact OD1-N 3.29Å; D290-L293 WeakPolarHBondContact OD2-CD1 3.47Å; D290-L293 WeakPolarHBondContact OD2-CG 3.24Å; L293-Y295 VanDerWaalsContact C-N 3.31Å; L293-Y295 PolarHBondContact O-N 2.79Å; L293-F296 PolarHBondContact O-N 2.59Å; L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 2.98Å
294	D	53.7	Low	56	Low	84 Å²	84	106.1 Å²	106.1	45%	0.449	57%	0.57	S	S	.	*	H	α-helix	trans	-67.3	-32.6	-175.2	-81.2	-16.3	0	0	0	112.2	D290 T298	D290-D294 PolarHBondContact O-N 3.41Å; D294-T298 PolarHBondContact O-OG1 3.49Å
295	Y	50.4	Low	55.2	Low	153 Å²	153	97.7 Å²	97.7	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-75.5	-44.1	176.6	-159.9	-90.9	0	0	0	112.5	D291 L293	D291-Y295 WeakPolarHBondContact O-CB 3.35Å; L293-Y295 VanDerWaalsContact C-N 3.31Å; L293-Y295 PolarHBondContact O-N 2.79Å
296	F	46.6	Very low	54.7	Low	133 Å²	133	92.9 Å²	92.9	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-86.2	-21.6	-176.3	-66.9	-60.4	0	0	0	114.8	E292 L293	E292-F296 HydrophobicContact CB-CD2 4.38Å; E292-F296 WeakPolarHBondContact O-CB 3.42Å; E292-F296 WeakPolarHBondContact O-CD2 3.49Å; E292-F296 PolarHBondContact O-N 3.13Å; L293-F296 PolarHBondContact O-N 2.59Å
297	A	51.8	Low	53.9	Low	58 Å²	58	99.7 Å²	99.7	48%	0.479	55%	0.554	S	S	.	*	H	α-helix	trans	-77.1	-31.1	175.6	0	0	0	0	0	113.1	L293	L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 2.98Å
298	T	53.4	Low	53.7	Low	74 Å²	74	97.2 Å²	97.2	45%	0.454	55%	0.55	S	S	.	*	H	α-helix	trans	-84.3	-31.6	-179	53.6	0	0	0	0	113.4	D294 G300	D294-T298 PolarHBondContact O-OG1 3.49Å; T298-G300 PolarHBondContact O-N 3.13Å
299	E	46.1	Very low	54	Low	78 Å²	78	93.9 Å²	93.9	36%	0.364	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	55.6	-173.5	-57.7	-140	173.1	0	0	114.1	G301 R324	E299-G301 VanDerWaalsContact C-N 3.3Å; E299-G301 PolarHBondContact O-N 3.07Å; E299-R324 IonicContact OE1-CZ 2.8Å; E299-R324 IonicContact OE1-NE 3.98Å; E299-R324 IonicContact OE1-NH2 3.25Å; E299-R324 PolarHBondContact OE1-NH2 3.3Å; E299-R324 IonicContact OE2-CZ 2.79Å; E299-R324 IonicContact OE2-NH2 3.84Å; E299-R324 PolarHBondContact OE2-NH2 3.39Å
300	G	44.4	Very low	54.8	Low	63 Å²	63	94 Å²	94	65%	0.649	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	14.3	162	0	0	0	0	0	116.5	T298 V302	T298-G300 PolarHBondContact O-N 3.13Å; G300-V302 PolarHBondContact O-N 2.79Å
301	G	40.4	Very low	55.5	Low	29 Å²	29	95.9 Å²	95.9	30%	0.299	55%	0.547	S	S	.	.			trans	-52.8	127.1	178.8	0	0	0	0	0	113.2	E299 G303	E299-G301 VanDerWaalsContact C-N 3.3Å; E299-G301 PolarHBondContact O-N 3.07Å; G301-G303 PolarHBondContact O-N 2.74Å
302	V	45.5	Very low	56.2	Low	136 Å²	136	90.2 Å²	90.2	82%	0.824	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20	-169.3	-178.1	0	0	0	0	113.5	G300	G300-V302 PolarHBondContact O-N 2.79Å
303	G	50.4	Low	57.1	Low	58 Å²	58	90.2 Å²	90.2	60%	0.598	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-54.3	179.9	0	0	0	0	0	114.7	G301	G301-G303 PolarHBondContact O-N 2.74Å
304	S	53.2	Low	58.3	Low	82 Å²	82	89.4 Å²	89.4	57%	0.573	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-79.6	-30.4	-173.1	-60.8	0	0	0	0	113.3	A306	S304-A306 PolarHBondContact O-N 2.87Å; S304-A306 VanDerWaalsContact O-N 3.17Å
305	A	56.3	Low	59.3	Low	19 Å²	19	89.3 Å²	89.3	16%	0.157	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-74.1	-0.9	-178.4	0	0	0	0	0	114.7	R313	A305-R313 PolarHBondContact O-NH1 3.23Å
306	A	61.2	Low	60.1	Low	69 Å²	69	85.3 Å²	85.3	57%	0.57	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-82.5	-22.5	-178.2	0	0	0	0	0	114.3	S304	S304-A306 PolarHBondContact O-N 2.87Å; S304-A306 VanDerWaalsContact O-N 3.17Å
307	W	57.8	Low	61.4	Low	239 Å²	239	80.9 Å²	80.9	91%	0.905	47%	0.474	S	S	*	.	S	Bend	trans	-108.4	3.6	-171.2	-57.6	99.9	0	0	0	114.2
308	L	63.4	Low	62.7	Low	78 Å²	78	85.3 Å²	85.3	41%	0.408	48%	0.478	S	S	.	.	S	Bend	trans	-98.1	148.8	-179.7	-62.6	168.9	0	0	0	110.5	V312 I316	L308-V312 HydrophobicContact CB-CG1 4.46Å; L308-V312 HydrophobicContact CD2-CG1 4.06Å; L308-I316 HydrophobicContact CD1-CD1 3.79Å
309	S	77	Confident	63.5	Low	57 Å²	57	85.6 Å²	85.6	40%	0.399	47%	0.471	S	S	.	.			trans	-63.3	152	171.8	84.6	0	0	0	0	110.3	E311 V312 R313	S309-E311 PolarHBondContact O-N 2.87Å; S309-V312 PolarHBondContact O-N 2.72Å; S309-V312 VanDerWaalsContact O-N 3.13Å; S309-V312 VanDerWaalsContact OG-CG2 3.31Å; S309-V312 WeakPolarHBondContact OG-CG2 3.39Å; S309-V312 PolarHBondContact OG-N 2.92Å; S309-R313 WeakPolarHBondContact O-CB 3.39Å; S309-R313 PolarHBondContact O-N 3.49Å
310	P	77.4	Confident	64.6	Low	112 Å²	112	83.4 Å²	83.4	73%	0.727	46%	0.463	S	S	*	.	H	α-helix	trans	-59.3	-31.1	179.5	22.6	-33.2	0	0	0	112.6	E314	P310-E314 WeakPolarHBondContact O-CB 3.28Å; P310-E314 PolarHBondContact O-N 3.25Å; P310-E314 VanDerWaalsContact O-N 3.08Å
311	E	75.5	Confident	66.1	Low	107 Å²	107	86.1 Å²	86.1	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-69	-44.1	175.5	-165.1	-151.2	126	0	0	112.2	S309 E314 R315	S309-E311 PolarHBondContact O-N 2.87Å; E311-E314 PolarHBondContact O-N 3.1Å; E311-R315 WeakPolarHBondContact O-CB 3.21Å; E311-R315 PolarHBondContact O-N 3.05Å; E311-R315 IonicContact OE1-CZ 3.68Å; E311-R315 IonicContact OE1-NE 2.92Å; E311-R315 IonicContact OE1-NH2 3.97Å; E311-R315 PolarHBondContact OE1-NH2 3.35Å
312	V	71.4	Confident	67.7	Low	14 Å²	14	88.7 Å²	88.7	9%	0.085	47%	0.466	C	S	.	.	H	α-helix	trans	-68.4	-38.7	178.4	173.2	0	0	0	0	110.7	L308 S309 E314 R315 I316 S373	L308-V312 HydrophobicContact CB-CG1 4.46Å; L308-V312 HydrophobicContact CD2-CG1 4.06Å; S309-V312 PolarHBondContact O-N 2.72Å; S309-V312 VanDerWaalsContact O-N 3.13Å; S309-V312 VanDerWaalsContact OG-CG2 3.31Å; S309-V312 WeakPolarHBondContact OG-CG2 3.39Å; S309-V312 PolarHBondContact OG-N 2.92Å; V312-E314 VanDerWaalsContact C-N 3.34Å; V312-E314 PolarHBondContact O-N 3.17Å; V312-R315 WeakPolarHBondContact O-CB 3.28Å; V312-R315 PolarHBondContact O-N 2.9Å; V312-I316 HydrophobicContact CG1-CD1 3.82Å; V312-I316 WeakPolarHBondContact O-CG1 3.46Å; V312-I316 PolarHBondContact O-N 2.82Å; V312-S373 VanDerWaalsContact CG2-OG 3.23Å; V312-S373 WeakPolarHBondContact CG2-OG 3.48Å
313	R	71.3	Confident	68.6	Low	142 Å²	142	84.5 Å²	84.5	54%	0.536	44%	0.438	S	S	.	.	H	α-helix	trans	-59.7	-43.1	173.5	-177	174.2	176.3	167	-2.4	112.1	A305 S309 A317	A305-R313 PolarHBondContact O-NH1 3.23Å; S309-R313 WeakPolarHBondContact O-CB 3.39Å; S309-R313 PolarHBondContact O-N 3.49Å; R313-A317 WeakPolarHBondContact O-CB 3.05Å; R313-A317 PolarHBondContact O-N 3.41Å
314	E	76.1	Confident	69.3	Low	92 Å²	92	87.7 Å²	87.7	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-39	174.9	170.9	55.3	-150.6	0	0	112.3	P310 E311 V312 A317 R318	P310-E314 WeakPolarHBondContact O-CB 3.28Å; P310-E314 PolarHBondContact O-N 3.25Å; P310-E314 VanDerWaalsContact O-N 3.08Å; E311-E314 PolarHBondContact O-N 3.1Å; V312-E314 VanDerWaalsContact C-N 3.34Å; V312-E314 PolarHBondContact O-N 3.17Å; E314-A317 PolarHBondContact O-N 3.02Å; E314-R318 PolarHBondContact O-N 3.44Å; E314-R318 IonicContact OE1-CZ 2.88Å; E314-R318 IonicContact OE1-NE 3.81Å; E314-R318 PolarHBondContact OE1-NE 3.31Å; E314-R318 IonicContact OE1-NH2 3.78Å; E314-R318 PolarHBondContact OE1-NH2 3.37Å
315	R	74.7	Confident	70.5	Confident	83 Å²	83	86.3 Å²	86.3	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-46.1	175.1	-159.7	-172.4	-61.5	178.3	0.2	111.5	E311 V312 R318 R319 E372	E311-R315 WeakPolarHBondContact O-CB 3.21Å; E311-R315 PolarHBondContact O-N 3.05Å; E311-R315 IonicContact OE1-CZ 3.68Å; E311-R315 IonicContact OE1-NE 2.92Å; E311-R315 IonicContact OE1-NH2 3.97Å; E311-R315 PolarHBondContact OE1-NH2 3.35Å; V312-R315 WeakPolarHBondContact O-CB 3.28Å; V312-R315 PolarHBondContact O-N 2.9Å; R315-R318 PolarHBondContact O-N 3.49Å; R315-R319 PolarHBondContact O-N 3.38Å; R315-R319 VanDerWaalsContact O-N 3.15Å; R315-E372 PolarHBondContact NH1-O 3.25Å
316	I	67.8	Low	70.9	Confident	68 Å²	68	89.4 Å²	89.4	35%	0.349	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-44.9	176.1	-68.4	162.3	0	0	0	111	L308 V312 R318 R319 V320	L308-I316 HydrophobicContact CD1-CD1 3.79Å; V312-I316 HydrophobicContact CG1-CD1 3.82Å; V312-I316 WeakPolarHBondContact O-CG1 3.46Å; V312-I316 PolarHBondContact O-N 2.82Å; I316-R318 VanDerWaalsContact C-N 3.31Å; I316-R318 PolarHBondContact O-N 3.22Å; I316-R319 PolarHBondContact O-N 3.01Å; I316-R319 VanDerWaalsContact O-N 3.13Å; I316-V320 HydrophobicContact CG2-CG2 4.35Å; I316-V320 WeakPolarHBondContact O-CG2 3.15Å; I316-V320 PolarHBondContact O-N 2.78Å
317	A	73.7	Confident	70.9	Confident	41 Å²	41	91.4 Å²	91.4	34%	0.339	43%	0.43	S	S	.	.	H	α-helix	trans	-57.4	-43.6	177.5	0	0	0	0	0	111.9	R313 E314 V320 I321	R313-A317 WeakPolarHBondContact O-CB 3.05Å; R313-A317 PolarHBondContact O-N 3.41Å; E314-A317 PolarHBondContact O-N 3.02Å; A317-V320 PolarHBondContact O-N 3.27Å; A317-I321 VanDerWaalsContact O-CG1 3.29Å; A317-I321 WeakPolarHBondContact O-CG1 3.26Å; A317-I321 PolarHBondContact O-N 3.33Å
318	R	79.6	Confident	71.2	Confident	150 Å²	150	85.4 Å²	85.4	57%	0.566	41%	0.412	S	S	*	.	H	α-helix	trans	-61.9	-43.8	173.8	-89.1	-173.6	-89.9	141.8	-7.2	113.1	E314 R315 I316 V320 I321 E322	E314-R318 PolarHBondContact O-N 3.44Å; E314-R318 IonicContact OE1-CZ 2.88Å; E314-R318 IonicContact OE1-NE 3.81Å; E314-R318 PolarHBondContact OE1-NE 3.31Å; E314-R318 IonicContact OE1-NH2 3.78Å; E314-R318 PolarHBondContact OE1-NH2 3.37Å; R315-R318 PolarHBondContact O-N 3.49Å; I316-R318 VanDerWaalsContact C-N 3.31Å; I316-R318 PolarHBondContact O-N 3.22Å; R318-V320 PolarHBondContact O-N 3.3Å; R318-I321 PolarHBondContact O-N 2.88Å; R318-E322 WeakPolarHBondContact O-CB 3.31Å; R318-E322 PolarHBondContact O-N 3.05Å
319	R	71.1	Confident	71.2	Confident	80 Å²	80	85.6 Å²	85.6	30%	0.302	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-38.3	177.1	-170.9	56.6	165.6	-174.6	-4.5	112.2	R315 I316 E322 L323 E366	R315-R319 PolarHBondContact O-N 3.38Å; R315-R319 VanDerWaalsContact O-N 3.15Å; I316-R319 PolarHBondContact O-N 3.01Å; I316-R319 VanDerWaalsContact O-N 3.13Å; R319-E322 VanDerWaalsContact CD-OE2 3.24Å; R319-E322 WeakPolarHBondContact CD-OE2 3.49Å; R319-E322 IonicContact CZ-OE2 3.49Å; R319-E322 IonicContact NE-OE2 2.75Å; R319-E322 VanDerWaalsContact NH1-CD 3.28Å; R319-E322 IonicContact NH1-OE1 3.76Å; R319-E322 PolarHBondContact NH1-OE1 2.88Å; R319-E322 IonicContact NH1-OE2 2.59Å; R319-E322 PolarHBondContact NH1-OE2 3Å; R319-E322 PolarHBondContact O-N 3.46Å; R319-L323 HydrophobicContact CG-CD1 4.04Å; R319-L323 HydrophobicContact CG-CG 4.48Å; R319-L323 WeakPolarHBondContact O-CB 3.35Å; R319-L323 VanDerWaalsContact O-CG 3.24Å; R319-L323 WeakPolarHBondContact O-CG 3.5Å; R319-L323 PolarHBondContact O-N 3.15Å; R319-E366 IonicContact CZ-OE1 3.89Å; R319-E366 IonicContact NH2-OE1 3.97Å; R319-E366 PolarHBondContact NH2-OE1 3.45Å
320	V	67.9	Low	70.4	Confident	33 Å²	33	85.1 Å²	85.1	20%	0.2	41%	0.408	C	S	.	.	H	α-helix	trans	-65.5	-40.8	174.8	172.3	0	0	0	0	111.7	I316 A317 R318 R324	I316-V320 HydrophobicContact CG2-CG2 4.35Å; I316-V320 WeakPolarHBondContact O-CG2 3.15Å; I316-V320 PolarHBondContact O-N 2.78Å; A317-V320 PolarHBondContact O-N 3.27Å; R318-V320 PolarHBondContact O-N 3.3Å; V320-R324 VanDerWaalsContact O-CB 3.28Å; V320-R324 WeakPolarHBondContact O-CB 3.41Å; V320-R324 PolarHBondContact O-N 3.28Å
321	I	75.5	Confident	69.4	Low	119 Å²	119	89 Å²	89	61%	0.61	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-44.1	174.3	-69.6	164.6	0	0	0	110.8	A317 R318 R324 A325	A317-I321 VanDerWaalsContact O-CG1 3.29Å; A317-I321 WeakPolarHBondContact O-CG1 3.26Å; A317-I321 PolarHBondContact O-N 3.33Å; R318-I321 PolarHBondContact O-N 2.88Å; I321-R324 PolarHBondContact O-N 3.19Å; I321-A325 WeakPolarHBondContact O-CB 3.45Å; I321-A325 PolarHBondContact O-N 3.44Å
322	E	74.9	Confident	68.5	Low	83 Å²	83	91.7 Å²	91.7	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-51.6	176.6	-171.3	-167.4	179.3	0	0	111.7	R318 R319 R324 A325 Q326	R318-E322 WeakPolarHBondContact O-CB 3.31Å; R318-E322 PolarHBondContact O-N 3.05Å; R319-E322 VanDerWaalsContact CD-OE2 3.24Å; R319-E322 WeakPolarHBondContact CD-OE2 3.49Å; R319-E322 IonicContact CZ-OE2 3.49Å; R319-E322 IonicContact NE-OE2 2.75Å; R319-E322 VanDerWaalsContact NH1-CD 3.28Å; R319-E322 IonicContact NH1-OE1 3.76Å; R319-E322 PolarHBondContact NH1-OE1 2.88Å; R319-E322 IonicContact NH1-OE2 2.59Å; R319-E322 PolarHBondContact NH1-OE2 3Å; R319-E322 PolarHBondContact O-N 3.46Å; E322-R324 VanDerWaalsContact C-N 3.27Å; E322-R324 PolarHBondContact O-N 3.17Å; E322-A325 WeakPolarHBondContact O-CB 3.39Å; E322-A325 PolarHBondContact O-N 2.89Å; E322-A325 VanDerWaalsContact O-N 3.07Å; E322-Q326 WeakPolarHBondContact O-CG 3.49Å; E322-Q326 PolarHBondContact O-N 3.42Å; E322-Q326 PolarHBondContact OE1-NE2 3.48Å
323	L	64.4	Low	67.8	Low	48 Å²	48	96.3 Å²	96.3	25%	0.251	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-32.1	178	-68.6	168.1	0	0	0	112.3	R319 R327 L359	R319-L323 HydrophobicContact CG-CD1 4.04Å; R319-L323 HydrophobicContact CG-CG 4.48Å; R319-L323 WeakPolarHBondContact O-CB 3.35Å; R319-L323 VanDerWaalsContact O-CG 3.24Å; R319-L323 WeakPolarHBondContact O-CG 3.5Å; R319-L323 PolarHBondContact O-N 3.15Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 2.71Å; L323-L359 HydrophobicContact CB-CD1 4.32Å; L323-L359 HydrophobicContact CD2-CD1 3.83Å
324	R	66	Low	67	Low	125 Å²	125	91.4 Å²	91.4	47%	0.472	43%	0.426	S	S	.	.	H	α-helix	trans	-71.7	-36.9	172.3	-178.1	174.3	-87	-172	-13.1	111.8	E299 V320 I321 E322 H328	E299-R324 IonicContact OE1-CZ 2.8Å; E299-R324 IonicContact OE1-NE 3.98Å; E299-R324 IonicContact OE1-NH2 3.25Å; E299-R324 PolarHBondContact OE1-NH2 3.3Å; E299-R324 IonicContact OE2-CZ 2.79Å; E299-R324 IonicContact OE2-NH2 3.84Å; E299-R324 PolarHBondContact OE2-NH2 3.39Å; V320-R324 VanDerWaalsContact O-CB 3.28Å; V320-R324 WeakPolarHBondContact O-CB 3.41Å; V320-R324 PolarHBondContact O-N 3.28Å; I321-R324 PolarHBondContact O-N 3.19Å; E322-R324 VanDerWaalsContact C-N 3.27Å; E322-R324 PolarHBondContact O-N 3.17Å; R324-H328 PolarHBondContact O-N 2.8Å; R324-H328 VanDerWaalsContact O-N 3.09Å
325	A	77.2	Confident	66.1	Low	53 Å²	53	91.2 Å²	91.2	44%	0.438	44%	0.44	S	S	.	.	H	α-helix	trans	-67.2	-42.5	173.5	0	0	0	0	0	111.9	I321 E322 H328 T329	I321-A325 WeakPolarHBondContact O-CB 3.45Å; I321-A325 PolarHBondContact O-N 3.44Å; E322-A325 WeakPolarHBondContact O-CB 3.39Å; E322-A325 PolarHBondContact O-N 2.89Å; E322-A325 VanDerWaalsContact O-N 3.07Å; A325-H328 WeakPolarHBondContact O-CA 3.43Å; A325-H328 WeakPolarHBondContact O-CB 3.46Å; A325-H328 PolarHBondContact O-N 3.13Å; A325-T329 PolarHBondContact O-N 2.79Å; A325-T329 PolarHBondContact O-OG1 3.17Å
326	Q	65.9	Low	65.4	Low	85 Å²	85	93.8 Å²	93.8	40%	0.397	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-43.8	174	-69.2	177.8	14.7	0	0	111.9	E322 H328 T329 H330	E322-Q326 WeakPolarHBondContact O-CG 3.49Å; E322-Q326 PolarHBondContact O-N 3.42Å; E322-Q326 PolarHBondContact OE1-NE2 3.48Å; Q326-H328 PolarHBondContact O-N 3.48Å; Q326-T329 PolarHBondContact O-N 3.25Å; Q326-T329 PolarHBondContact O-OG1 2.85Å; Q326-T329 VanDerWaalsContact O-OG1 3.11Å; Q326-H330 WeakPolarHBondContact O-CB 3.48Å; Q326-H330 PolarHBondContact O-N 3.31Å
327	R	59.7	Low	65.3	Low	110 Å²	110	96.2 Å²	96.2	42%	0.415	46%	0.462	S	S	.	.	H	α-helix	trans	-55.8	-40.4	170.1	-81.2	-174.2	-79.8	174	-4.1	111.9	L323 R331 L359	L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 2.71Å; R327-R331 WeakPolarHBondContact O-CB 3.41Å; R327-R331 PolarHBondContact O-N 2.88Å; R327-L359 HydrophobicContact CG-CD1 4.36Å; R327-L359 HydrophobicContact CG-CD2 4.04Å
328	H	64.8	Low	64.9	Low	114 Å²	114	96.6 Å²	96.6	53%	0.528	46%	0.461	S	S	.	.	H	α-helix	trans	-72.9	-38.9	-178.1	-142.6	-90.8	0	0	0	113.1	R324 A325 Q326 F332	R324-H328 PolarHBondContact O-N 2.8Å; R324-H328 VanDerWaalsContact O-N 3.09Å; A325-H328 WeakPolarHBondContact O-CA 3.43Å; A325-H328 WeakPolarHBondContact O-CB 3.46Å; A325-H328 PolarHBondContact O-N 3.13Å; Q326-H328 PolarHBondContact O-N 3.48Å; H328-F332 AromaticContact CE1-CE2 3.96Å; H328-F332 AromaticContact ND1-CE2 3.77Å; H328-F332 WeakPolarHBondContact O-CD2 3.5Å
329	T	63.4	Low	64.6	Low	82 Å²	82	94.9 Å²	94.9	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-71.8	-42	175.9	54.4	0	0	0	0	111.9	A325 Q326 R331 F332	A325-T329 PolarHBondContact O-N 2.79Å; A325-T329 PolarHBondContact O-OG1 3.17Å; Q326-T329 PolarHBondContact O-N 3.25Å; Q326-T329 PolarHBondContact O-OG1 2.85Å; Q326-T329 VanDerWaalsContact O-OG1 3.11Å; T329-R331 VanDerWaalsContact C-N 3.28Å; T329-R331 PolarHBondContact O-N 2.89Å; T329-F332 PolarHBondContact O-N 2.9Å; T329-F332 VanDerWaalsContact O-N 3.13Å
330	H	61.1	Low	64.9	Low	46 Å²	46	92.8 Å²	92.8	21%	0.213	46%	0.457	C	S	.	.	H	α-helix	trans	-66.5	-30.4	-178.9	-160	-94.1	0	0	0	112.7	Q326 F332 Q333 S334 T351 A355	Q326-H330 WeakPolarHBondContact O-CB 3.48Å; Q326-H330 PolarHBondContact O-N 3.31Å; H330-F332 PolarHBondContact O-N 2.63Å; H330-F332 VanDerWaalsContact O-N 3.16Å; H330-Q333 PolarHBondContact O-N 2.85Å; H330-S334 PolarHBondContact O-N 3.43Å; H330-T351 PolarHBondContact CE1-O 2.86Å; H330-T351 PolarHBondContact CE1-OG1 3.01Å; H330-T351 PolarHBondContact NE2-OG1 3.34Å; H330-A355 HydrophobicContact CB-CB 4.44Å; H330-A355 WeakPolarHBondContact ND1-CB 3.36Å
331	R	55	Low	65.4	Low	195 Å²	195	98.1 Å²	98.1	74%	0.736	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.2	173.3	-167.2	174.9	-172.5	174	4	113.6	R327 T329 S334	R327-R331 WeakPolarHBondContact O-CB 3.41Å; R327-R331 PolarHBondContact O-N 2.88Å; T329-R331 VanDerWaalsContact C-N 3.28Å; T329-R331 PolarHBondContact O-N 2.89Å; R331-S334 PolarHBondContact O-OG 2.87Å
332	F	57	Low	65.4	Low	162 Å²	162	100 Å²	100	71%	0.711	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-8.1	177	-66.2	-69.7	0	0	0	114.3	H328 T329 H330	H328-F332 AromaticContact CE1-CE2 3.96Å; H328-F332 AromaticContact ND1-CE2 3.77Å; H328-F332 WeakPolarHBondContact O-CD2 3.5Å; T329-F332 PolarHBondContact O-N 2.9Å; T329-F332 VanDerWaalsContact O-N 3.13Å; H330-F332 PolarHBondContact O-N 2.63Å; H330-F332 VanDerWaalsContact O-N 3.16Å
333	Q	57.4	Low	65.3	Low	112 Å²	112	102.7 Å²	102.7	52%	0.523	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	3.2	-178.9	-61.2	-172.7	14.5	0	0	113.1	H330 A335	H330-Q333 PolarHBondContact O-N 2.85Å; Q333-A335 PolarHBondContact O-N 2.84Å
334	S	54.4	Low	65.7	Low	39 Å²	39	106 Å²	106	27%	0.273	53%	0.531	S	S	.	.			trans	-77.2	32.9	-164.9	62.8	0	0	0	0	116	H330 R331	H330-S334 PolarHBondContact O-N 3.43Å; R331-S334 PolarHBondContact O-OG 2.87Å
335	A	57.3	Low	65.9	Low	87 Å²	87	104.7 Å²	104.7	72%	0.719	53%	0.533	S	S	*	.			trans	-152.3	72.3	179.2	0	0	0	0	0	111.1	Q333	Q333-A335 PolarHBondContact O-N 2.84Å
336	R	60.2	Low	65.6	Low	137 Å²	137	105.8 Å²	105.8	52%	0.517	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.8	171	-55.5	-173.4	86.3	102.6	-1.8	108.8	E349 T351	R336-E349 HydrophobicContact CB-CB 4.33Å; R336-E349 PolarHBondContact O-N 2.57Å; R336-T351 HydrophobicContact CG-CG2 4.5Å
337	M	65.8	Low	65.6	Low	120 Å²	120	106 Å²	106	59%	0.591	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.3	174.8	-67.7	-178.4	62.8	0	0	108.4	V346	M337-V346 HydrophobicContact CE-CG1 3.59Å
338	C	64.1	Low	65.9	Low	49 Å²	49	108 Å²	108	33%	0.331	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.4	-178.2	-70.6	0	0	0	0	108.7	I347 E349	C338-I347 PolarHBondContact N-O 3.07Å; C338-I347 PolarHBondContact O-N 2.8Å; C338-E349 PolarHBondContact SG-OE2 2.77Å
339	I	74.1	Confident	65.7	Low	114 Å²	114	107.3 Å²	107.3	59%	0.585	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.9	-177.2	-56	175.9	0	0	0	107.7	L341 V346	I339-L341 HydrophobicContact CG2-CD2 4.18Å; I339-L341 PolarHBondContact O-N 3.12Å; I339-V346 HydrophobicContact CG1-CG1 4.48Å; I339-V346 HydrophobicContact CG1-CG2 4.41Å
340	D	76.5	Confident	65.4	Low	36 Å²	36	106.5 Å²	106.5	19%	0.193	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	95.5	178.5	-168.7	-27.2	0	0	0	109.1	D342 K343 C344 D345	D340-D342 PolarHBondContact O-N 3.37Å; D340-D342 PolarHBondContact OD1-N 3.45Å; D340-K343 HydrophobicContact CB-CB 4.32Å; D340-K343 PolarHBondContact O-N 3.01Å; D340-K343 PolarHBondContact OD1-N 3.07Å; D340-K343 IonicContact OD1-NZ 3.84Å; D340-K343 WeakPolarHBondContact OD2-CD 3.03Å; D340-K343 IonicContact OD2-NZ 3.83Å; D340-K343 PolarHBondContact OD2-NZ 2.93Å; D340-C344 WeakPolarHBondContact O-CA 3.49Å; D340-C344 PolarHBondContact O-N 3.36Å; D340-D345 PolarHBondContact N-O 2.88Å; D340-D345 PolarHBondContact O-N 3.26Å
341	L	79	Confident	65.3	Low	144 Å²	144	106 Å²	106	75%	0.754	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.7	-174.7	-65.3	174.1	0	0	0	113	I339 K343	I339-L341 HydrophobicContact CG2-CD2 4.18Å; I339-L341 PolarHBondContact O-N 3.12Å; L341-K343 VanDerWaalsContact C-N 3.34Å
342	D	76.1	Confident	65.3	Low	159 Å²	159	103 Å²	103	85%	0.85	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.2	-179.3	-66.9	-26.1	0	0	0	112.3	D340	D340-D342 PolarHBondContact O-N 3.37Å; D340-D342 PolarHBondContact OD1-N 3.45Å
343	K	71.8	Confident	65.3	Low	139 Å²	139	100.6 Å²	100.6	60%	0.604	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-11.7	176.8	-58.5	-171.2	-167.1	67.4	0	114.1	D340 L341 D345	D340-K343 HydrophobicContact CB-CB 4.32Å; D340-K343 PolarHBondContact O-N 3.01Å; D340-K343 PolarHBondContact OD1-N 3.07Å; D340-K343 IonicContact OD1-NZ 3.84Å; D340-K343 WeakPolarHBondContact OD2-CD 3.03Å; D340-K343 IonicContact OD2-NZ 3.83Å; D340-K343 PolarHBondContact OD2-NZ 2.93Å; L341-K343 VanDerWaalsContact C-N 3.34Å; K343-D345 HydrophobicContact CB-CB 4.2Å; K343-D345 PolarHBondContact O-N 3.43Å
344	C	72.7	Confident	65.3	Low	118 Å²	118	101.4 Å²	101.4	80%	0.797	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	26.5	-168.7	-66.5	0	0	0	0	113.9	D340	D340-C344 WeakPolarHBondContact O-CA 3.49Å; D340-C344 PolarHBondContact O-N 3.36Å
345	D	70	Confident	65.4	Low	98 Å²	98	101.2 Å²	101.2	52%	0.524	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.8	-177.8	-103.5	-40.2	0	0	0	112.3	D340 K343	D340-D345 PolarHBondContact N-O 2.88Å; D340-D345 PolarHBondContact O-N 3.26Å; K343-D345 HydrophobicContact CB-CB 4.2Å; K343-D345 PolarHBondContact O-N 3.43Å
346	V	71.6	Confident	65.4	Low	75 Å²	75	99 Å²	99	46%	0.455	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	94.6	177.6	-176.7	0	0	0	0	109.8	M337 I339	M337-V346 HydrophobicContact CE-CG1 3.59Å; I339-V346 HydrophobicContact CG1-CG1 4.48Å; I339-V346 HydrophobicContact CG1-CG2 4.41Å
347	I	66.5	Low	65.3	Low	89 Å²	89	96.8 Å²	96.8	46%	0.456	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.8	179.4	-53.1	178.7	0	0	0	108.8	C338 E349	C338-I347 PolarHBondContact N-O 3.07Å; C338-I347 PolarHBondContact O-N 2.8Å; I347-E349 HydrophobicContact CG2-CG 4.2Å; I347-E349 PolarHBondContact O-N 3.13Å
348	K	64	Low	64.9	Low	153 Å²	153	98 Å²	98	67%	0.665	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	101.6	170.2	-66.2	-179.8	-176.5	174.7	0	108.7	D350	K348-D350 PolarHBondContact O-N 3.15Å; K348-D350 VanDerWaalsContact O-N 3.14Å
349	E	61.4	Low	64.5	Low	99 Å²	99	97.9 Å²	97.9	46%	0.463	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	89.7	173.5	-71.9	-170.8	138.2	0	0	109.3	R336 C338 I347 T351	R336-E349 HydrophobicContact CB-CB 4.33Å; R336-E349 PolarHBondContact O-N 2.57Å; C338-E349 PolarHBondContact SG-OE2 2.77Å; I347-E349 HydrophobicContact CG2-CG 4.2Å; I347-E349 PolarHBondContact O-N 3.13Å; E349-T351 VanDerWaalsContact C-N 3.26Å; E349-T351 PolarHBondContact O-N 3.46Å
350	D	57	Low	63.5	Low	66 Å²	66	100 Å²	100	35%	0.353	51%	0.51	S	S	.	.			trans	-78	72.9	179.7	-117.7	-36.6	0	0	0	111.1	K348 R352	K348-D350 PolarHBondContact O-N 3.15Å; K348-D350 VanDerWaalsContact O-N 3.14Å; D350-R352 PolarHBondContact O-N 3.29Å; D350-R352 IonicContact OD1-CZ 3.91Å; D350-R352 VanDerWaalsContact OD1-CZ 3.25Å; D350-R352 IonicContact OD1-NE 2.95Å; D350-R352 PolarHBondContact OD1-NE 2.85Å; D350-R352 IonicContact OD1-NH2 3.86Å; D350-R352 PolarHBondContact OD1-NH2 3.43Å; D350-R352 IonicContact OD2-CZ 3.61Å; D350-R352 IonicContact OD2-NE 3.7Å; D350-R352 IonicContact OD2-NH2 3.09Å; D350-R352 PolarHBondContact OD2-NH2 3.33Å
351	T	59.7	Low	62.6	Low	34 Å²	34	102.8 Å²	102.8	21%	0.209	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-3.5	-179.6	70.8	0	0	0	0	114.1	H330 R336 E349 D353 E354	H330-T351 PolarHBondContact CE1-O 2.86Å; H330-T351 PolarHBondContact CE1-OG1 3.01Å; H330-T351 PolarHBondContact NE2-OG1 3.34Å; R336-T351 HydrophobicContact CG-CG2 4.5Å; E349-T351 VanDerWaalsContact C-N 3.26Å; E349-T351 PolarHBondContact O-N 3.46Å; T351-D353 PolarHBondContact O-N 3.02Å; T351-E354 PolarHBondContact O-N 2.72Å
352	R	55.1	Low	61.5	Low	133 Å²	133	99 Å²	99	50%	0.502	51%	0.508	S	S	.	.	H	α-helix	trans	-47.7	-39.9	174	-73.3	-169.5	-81.5	150.4	-0.5	112.1	D350 A356	D350-R352 PolarHBondContact O-N 3.29Å; D350-R352 IonicContact OD1-CZ 3.91Å; D350-R352 VanDerWaalsContact OD1-CZ 3.25Å; D350-R352 IonicContact OD1-NE 2.95Å; D350-R352 PolarHBondContact OD1-NE 2.85Å; D350-R352 IonicContact OD1-NH2 3.86Å; D350-R352 PolarHBondContact OD1-NH2 3.43Å; D350-R352 IonicContact OD2-CZ 3.61Å; D350-R352 IonicContact OD2-NE 3.7Å; D350-R352 IonicContact OD2-NH2 3.09Å; D350-R352 PolarHBondContact OD2-NH2 3.33Å; R352-A356 PolarHBondContact O-N 2.84Å
353	D	55.6	Low	60.4	Low	112 Å²	112	93.4 Å²	93.4	60%	0.599	48%	0.482	S	S	*	.	H	α-helix	trans	-77.2	-36.7	-172.6	-64	-9.5	0	0	0	112.4	T351 A355 A356 V357	T351-D353 PolarHBondContact O-N 3.02Å; D353-A355 PolarHBondContact O-N 3.08Å; D353-A356 PolarHBondContact O-N 3.14Å; D353-V357 WeakPolarHBondContact O-CB 2.96Å; D353-V357 VanDerWaalsContact O-CG2 3.26Å; D353-V357 WeakPolarHBondContact O-CG2 3.34Å; D353-V357 PolarHBondContact O-N 2.93Å
354	E	58.6	Low	59.6	Low	128 Å²	128	93.7 Å²	93.7	60%	0.598	49%	0.485	S	S	*	.	H	α-helix	trans	-62.9	-42.1	178.5	-67.3	-157.7	154.5	0	0	112.8	T351 A356 K358	T351-E354 PolarHBondContact O-N 2.72Å; E354-A356 VanDerWaalsContact C-N 3.34Å; E354-K358 WeakPolarHBondContact O-CG 3.39Å; E354-K358 PolarHBondContact O-N 3.26Å
355	A	55.6	Low	58.8	Low	35 Å²	35	95.4 Å²	95.4	29%	0.289	48%	0.481	S	S	.	.	H	α-helix	trans	-70.6	-32	178.8	0	0	0	0	0	111.9	H330 D353	H330-A355 HydrophobicContact CB-CB 4.44Å; H330-A355 WeakPolarHBondContact ND1-CB 3.36Å; D353-A355 PolarHBondContact O-N 3.08Å
356	A	57.9	Low	58.2	Low	42 Å²	42	93.7 Å²	93.7	35%	0.347	47%	0.47	S	S	.	.	H	α-helix	trans	-72	-45.7	173.1	0	0	0	0	0	111.8	R352 D353 E354 K358 L359 Y360	R352-A356 PolarHBondContact O-N 2.84Å; D353-A356 PolarHBondContact O-N 3.14Å; E354-A356 VanDerWaalsContact C-N 3.34Å; A356-K358 VanDerWaalsContact C-N 3.33Å; A356-K358 PolarHBondContact O-N 3.42Å; A356-L359 WeakPolarHBondContact O-CA 3.07Å; A356-L359 VanDerWaalsContact O-CB 3.3Å; A356-L359 WeakPolarHBondContact O-CB 3.47Å; A356-L359 PolarHBondContact O-N 2.94Å; A356-Y360 VanDerWaalsContact O-CD2 3.32Å; A356-Y360 WeakPolarHBondContact O-CD2 3.44Å; A356-Y360 PolarHBondContact O-N 3.44Å; A356-Y360 VanDerWaalsContact O-N 3.12Å
357	V	57.4	Low	57.4	Low	89 Å²	89	95.1 Å²	95.1	54%	0.539	47%	0.473	S	S	.	.	H	α-helix	trans	-59.1	-42	-179.1	165.4	0	0	0	0	111.9	D353 L359 Y360 N361	D353-V357 WeakPolarHBondContact O-CB 2.96Å; D353-V357 VanDerWaalsContact O-CG2 3.26Å; D353-V357 WeakPolarHBondContact O-CG2 3.34Å; D353-V357 PolarHBondContact O-N 2.93Å; V357-L359 PolarHBondContact O-N 2.86Å; V357-Y360 PolarHBondContact O-N 3.32Å; V357-N361 PolarHBondContact O-N 2.83Å
358	K	58.9	Low	56.9	Low	145 Å²	145	95 Å²	95	63%	0.63	47%	0.473	S	S	*	.	H	α-helix	trans	-65.6	-23.6	174.2	-71.6	169.4	-178.3	162.2	0	113.6	E354 A356	E354-K358 WeakPolarHBondContact O-CG 3.39Å; E354-K358 PolarHBondContact O-N 3.26Å; A356-K358 VanDerWaalsContact C-N 3.33Å; A356-K358 PolarHBondContact O-N 3.42Å
359	L	54.4	Low	56.6	Low	47 Å²	47	94.5 Å²	94.5	25%	0.246	47%	0.474	C	S	.	.	H	α-helix	trans	-80.4	-38.2	178.1	-144.2	89.2	0	0	0	112.5	L323 R327 A356 V357	L323-L359 HydrophobicContact CB-CD1 4.32Å; L323-L359 HydrophobicContact CD2-CD1 3.83Å; R327-L359 HydrophobicContact CG-CD1 4.36Å; R327-L359 HydrophobicContact CG-CD2 4.04Å; A356-L359 WeakPolarHBondContact O-CA 3.07Å; A356-L359 VanDerWaalsContact O-CB 3.3Å; A356-L359 WeakPolarHBondContact O-CB 3.47Å; A356-L359 PolarHBondContact O-N 2.94Å; V357-L359 PolarHBondContact O-N 2.86Å
360	Y	54.5	Low	56.1	Low	160 Å²	160	94.3 Å²	94.3	63%	0.627	48%	0.475	S	S	*	.	H	α-helix	trans	-95.6	-13.2	-176.3	-69.6	-76.2	0	0	0	114.1	A356 V357	A356-Y360 VanDerWaalsContact O-CD2 3.32Å; A356-Y360 WeakPolarHBondContact O-CD2 3.44Å; A356-Y360 PolarHBondContact O-N 3.44Å; A356-Y360 VanDerWaalsContact O-N 3.12Å; V357-Y360 PolarHBondContact O-N 3.32Å
361	N	56.3	Low	55.9	Low	93 Å²	93	101.1 Å²	101.1	50%	0.497	50%	0.496	S	S	.	.	S	Bend	trans	-130.2	85.9	166.4	-66	-76.8	0	0	0	109.9	R287 V357	R287-N361 PolarHBondContact NH1-OD1 3.36Å; V357-N361 PolarHBondContact O-N 2.83Å
362	P	56.5	Low	55	Low	64 Å²	64	106.9 Å²	106.9	42%	0.416	52%	0.52	S	S	.	.			trans	-53.9	151.5	163.7	-22	33.3	0	0	0	110.7	E366 M367	P362-E366 WeakPolarHBondContact CA-OE2 3.49Å; P362-E366 HydrophobicContact CB-CB 4.35Å; P362-M367 HydrophobicContact CB-CG 4.45Å
363	S	53.8	Low	54.4	Low	43 Å²	43	103.4 Å²	103.4	30%	0.301	52%	0.517	S	S	.	.			trans	-66.9	157	172.3	91.7	0	0	0	0	110.5	E365 E366 M367	S363-E365 PolarHBondContact O-N 3.28Å; S363-E365 WeakPolarHBondContact OG-CB 3.34Å; S363-E365 PolarHBondContact OG-N 3.03Å; S363-E366 PolarHBondContact N-OE2 3.07Å; S363-E366 PolarHBondContact O-N 3.37Å; S363-E366 PolarHBondContact OG-N 3.2Å; S363-M367 PolarHBondContact O-N 2.94Å
364	Q	54.3	Low	53.6	Low	145 Å²	145	102.2 Å²	102.2	68%	0.678	52%	0.515	S	S	*	.	H	α-helix	trans	-64.2	-29.5	176	-167.3	164.2	-14.3	0	0	111.4	M367 D368	Q364-M367 HydrophobicContact CG-CE 4.29Å; Q364-M367 PolarHBondContact O-N 3.32Å; Q364-D368 PolarHBondContact O-N 3.13Å; Q364-D368 VanDerWaalsContact O-N 3.13Å
365	E	56.2	Low	52.4	Low	153 Å²	153	102.9 Å²	102.9	72%	0.715	53%	0.528	S	S	*	.	H	α-helix	trans	-65.9	-43.3	173.7	-56.8	161.5	146.7	0	0	111.2	S363 M367 D368 E369	S363-E365 PolarHBondContact O-N 3.28Å; S363-E365 WeakPolarHBondContact OG-CB 3.34Å; S363-E365 PolarHBondContact OG-N 3.03Å; E365-M367 VanDerWaalsContact C-N 3.29Å; E365-M367 PolarHBondContact O-N 2.94Å; E365-D368 PolarHBondContact O-N 3.02Å; E365-E369 PolarHBondContact O-N 3.39Å
366	E	57.6	Low	51.5	Low	63 Å²	63	108.2 Å²	108.2	29%	0.294	55%	0.55	S	S	.	*	H	α-helix	trans	-63.1	-33.1	175.1	-71.3	-177.8	107.7	0	0	112.8	R319 P362 S363 L370	R319-E366 IonicContact CZ-OE1 3.89Å; R319-E366 IonicContact NH2-OE1 3.97Å; R319-E366 PolarHBondContact NH2-OE1 3.45Å; P362-E366 WeakPolarHBondContact CA-OE2 3.49Å; P362-E366 HydrophobicContact CB-CB 4.35Å; S363-E366 PolarHBondContact N-OE2 3.07Å; S363-E366 PolarHBondContact O-N 3.37Å; S363-E366 PolarHBondContact OG-N 3.2Å; E366-L370 VanDerWaalsContact O-CG 3.31Å; E366-L370 WeakPolarHBondContact O-CG 3.36Å; E366-L370 PolarHBondContact O-N 3.22Å
367	M	54.8	Low	50.2	Low	104 Å²	104	111 Å²	111	51%	0.512	57%	0.567	S	S	.	*	H	α-helix	trans	-71	-35.4	174.6	-66.2	-160.9	-58.6	0	0	112.6	P362 S363 Q364 E365 R371	P362-M367 HydrophobicContact CB-CG 4.45Å; S363-M367 PolarHBondContact O-N 2.94Å; Q364-M367 HydrophobicContact CG-CE 4.29Å; Q364-M367 PolarHBondContact O-N 3.32Å; E365-M367 VanDerWaalsContact C-N 3.29Å; E365-M367 PolarHBondContact O-N 2.94Å; M367-R371 PolarHBondContact O-N 3.09Å
368	D	54.8	Low	49.1	Very low	86 Å²	86	114.3 Å²	114.3	46%	0.46	58%	0.582	S	S	.	*	H	α-helix	trans	-78.4	-37.3	179.5	-74.7	-32.8	0	0	0	111.6	Q364 E365 L370 R371 E372	Q364-D368 PolarHBondContact O-N 3.13Å; Q364-D368 VanDerWaalsContact O-N 3.13Å; E365-D368 PolarHBondContact O-N 3.02Å; D368-L370 VanDerWaalsContact C-N 3.28Å; D368-L370 PolarHBondContact O-N 3.07Å; D368-R371 WeakPolarHBondContact O-CB 3.26Å; D368-R371 PolarHBondContact O-N 3.05Å; D368-E372 PolarHBondContact O-N 2.8Å
369	E	58	Low	47.8	Very low	143 Å²	143	112.4 Å²	112.4	67%	0.668	58%	0.582	S	S	*	*	H	α-helix	trans	-58.2	-38	169.9	-76.2	-169	164.6	0	0	112.4	E365 R371 E372	E365-E369 PolarHBondContact O-N 3.39Å; E369-R371 PolarHBondContact O-N 2.97Å; E369-E372 PolarHBondContact O-N 2.99Å
370	L	52.2	Low	46.9	Very low	95 Å²	95	117.2 Å²	117.2	50%	0.497	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	-16.9	175.8	-73.7	172.2	0	0	0	113.5	E366 D368	E366-L370 VanDerWaalsContact O-CG 3.31Å; E366-L370 WeakPolarHBondContact O-CG 3.36Å; E366-L370 PolarHBondContact O-N 3.22Å; D368-L370 VanDerWaalsContact C-N 3.28Å; D368-L370 PolarHBondContact O-N 3.07Å
371	R	52.1	Low	46.1	Very low	209 Å²	209	117.5 Å²	117.5	79%	0.789	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-18.8	171.9	-80.9	179.8	153.3	-144	-6.3	113.4	M367 D368 E369 S373	M367-R371 PolarHBondContact O-N 3.09Å; D368-R371 WeakPolarHBondContact O-CB 3.26Å; D368-R371 PolarHBondContact O-N 3.05Å; E369-R371 PolarHBondContact O-N 2.97Å; R371-S373 PolarHBondContact O-N 3.3Å
372	E	41.5	Very low	45.1	Very low	155 Å²	155	117.8 Å²	117.8	72%	0.724	63%	0.625	S	S	*	*			trans	-76.2	88.3	-179.9	-63.1	-145.1	147.5	0	0	112.4	R315 D368 E369	R315-E372 PolarHBondContact NH1-O 3.25Å; D368-E372 PolarHBondContact O-N 2.8Å; E369-E372 PolarHBondContact O-N 2.99Å
373	S	41.3	Very low	43.9	Very low	61 Å²	61	123.7 Å²	123.7	43%	0.427	64%	0.644	S	S	.	*			trans	-105.9	136.6	166.1	-62.4	0	0	0	0	109.7	V312 R371	V312-S373 VanDerWaalsContact CG2-OG 3.23Å; V312-S373 WeakPolarHBondContact CG2-OG 3.48Å; R371-S373 PolarHBondContact O-N 3.3Å
374	P	40	Very low	42.9	Very low	86 Å²	86	131.5 Å²	131.5	56%	0.558	67%	0.667	S	S	*	*			trans	-69	141.6	-158.8	25.4	-35.1	0	0	0	114	I376	P374-I376 PolarHBondContact O-N 2.83Å
375	T	31.5	Very low	42	Very low	142 Å²	142	131.6 Å²	131.6	87%	0.871	67%	0.672	S	S	*	*			trans	-65.8	94.3	172.2	40	0	0	0	0	111.3	S377	T375-S377 PolarHBondContact O-N 2.8Å
376	I	38.1	Very low	41.1	Very low	148 Å²	148	129.9 Å²	129.9	76%	0.759	68%	0.677	S	S	*	*			trans	-68.9	98.3	170.9	-60.2	179	0	0	0	108.8	P374	P374-I376 PolarHBondContact O-N 2.83Å
377	S	30.4	Very low	40.2	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	70%	0.699	S	S	*	*			trans	-62.6	130.5	169.7	56.5	0	0	0	0	110.6	T375	T375-S377 PolarHBondContact O-N 2.8Å
378	N	33.5	Very low	39.1	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	71%	0.711	S	S	*	*			trans	-135.8	133.8	158.8	-110.9	-38	0	0	0	110.7
379	V	32.4	Very low	38	Very low	105 Å²	105	140.1 Å²	140.1	64%	0.636	73%	0.727	S	S	*	*			trans	-105.4	137.1	-166.9	172.2	0	0	0	0	110.1	Q381	V379-Q381 HydrophobicContact CG1-CG 4.43Å
380	N	36.3	Very low	36.7	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	73%	0.732	S	S	*	*			trans	-167.5	110.6	144.5	-85.5	-38.6	0	0	0	106.1
381	Q	36.7	Very low	35.8	Very low	166 Å²	166	141.7 Å²	141.7	78%	0.776	74%	0.744	S	S	*	*				47.3	124.2	83.8	-60	-170.3	17.1	0	0	112.6	V379	V379-Q381 HydrophobicContact CG1-CG 4.43Å
382	S	35.2	Very low	34.8	Very low	100 Å²	100	136.7 Å²	136.7	70%	0.699	74%	0.742	S	S	*	*			cis	-163.8	166.1	-7.2	52.2	0	0	0	0	106.5
383	F	32.1	Very low	34.3	Very low	187 Å²	187	136.2 Å²	136.2	82%	0.82	74%	0.744	S	S	*	*			cis	-158	-173.8	45.3	-139.9	-96.1	0	0	0	110.6
384	R	32.5	Very low	34.3	Very low	208 Å²	208	141.7 Å²	141.7	79%	0.785	77%	0.767	S	S	*	*			trans	-63.4	154.9	179.1	-57.3	177	-175.5	172.4	0.9	111.6
385	D	34.4	Very low	34	Very low	147 Å²	147	141.4 Å²	141.4	79%	0.786	77%	0.767	S	S	*	*				-166.1	177.6	55.7	-126	-36.4	0	0	0	116.7
386	S	36.8	Very low	34.4	Very low	117 Å²	117	143 Å²	143	82%	0.818	77%	0.765	S	S	*	*			trans	75.7	150.4	171	-63.2	0	0	0	0	118.9
387	Q	39.6	Very low	34.5	Very low	161 Å²	161	143.5 Å²	143.5	75%	0.752	77%	0.767	S	S	*	*			trans	-120.3	144.2	-165.3	-57.5	-176.2	14.5	0	0	113.6
388	K	32.1	Very low	34.7	Very low	179 Å²	179	144.5 Å²	144.5	78%	0.778	77%	0.769	S	S	*	*			trans	52.8	118.6	141.6	-68.1	171.1	-177.3	172.7	0	118.4
389	T	31.3	Very low	35.3	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	77%	0.765	S	S	*	*			cis	-156.6	114	0.1	40.9	0	0	0	0	109.5
390	V	30.6	Very low	35.9	Very low	128 Å²	128	145.1 Å²	145.1	78%	0.776	78%	0.775	S	S	*	*			trans	-147.1	123.6	176	179.2	0	0	0	0	111.1
391	N	32.3	Very low	36.3	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	77%	0.771	S	S	*	*			trans	48.8	144.4	152.6	-56.8	-7	0	0	0	123.5
392	S	32.8	Very low	36.8	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	76%	0.764	S	S	*	*			trans	50.2	120.4	140.4	-56.8	0	0	0	0	121.2
393	N	30.9	Very low	37.6	Very low	145 Å²	145	144.3 Å²	144.3	78%	0.775	77%	0.765	S	S	*	*				-172.5	90.6	120.2	-90.9	-18.5	0	0	0	111
394	I	40.6	Very low	38.4	Very low	175 Å²	175	138.7 Å²	138.7	90%	0.897	75%	0.747	S	S	*	*			trans	-103.2	98.7	149.2	-64.6	178.4	0	0	0	104.7
395	S	34.4	Very low	39.1	Very low	81 Å²	81	137.2 Å²	137.2	57%	0.566	75%	0.749	S	S	*	*			trans	-83.6	132.8	-174.9	-55.7	0	0	0	0	111.2
396	E	38.4	Very low	39.2	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	75%	0.746	S	S	*	*			trans	51.1	65.4	150.6	-58.1	-174.6	131.2	0	0	117.7
397	I	41.4	Very low	39.2	Very low	159 Å²	159	137.4 Å²	137.4	82%	0.815	75%	0.746	S	S	*	*			trans	-100.3	94.2	137.9	-58.2	-179.9	0	0	0	107	L399	I397-L399 PolarHBondContact O-N 3.3Å; I397-L399 VanDerWaalsContact O-N 3.11Å
398	T	35.1	Very low	39	Very low	119 Å²	119	137 Å²	137	73%	0.73	75%	0.749	S	S	*	*			trans	-70	103.8	175	24.4	0	0	0	0	109.9
399	L	45.1	Very low	39.1	Very low	145 Å²	145	133.5 Å²	133.5	76%	0.759	75%	0.747	S	S	*	*			trans	-47.8	133.8	165.8	-75.9	162.5	0	0	0	109.5	I397 T401	I397-L399 PolarHBondContact O-N 3.3Å; I397-L399 VanDerWaalsContact O-N 3.11Å; L399-T401 PolarHBondContact O-N 2.91Å; L399-T401 PolarHBondContact O-OG1 3.46Å
400	P	45.6	Very low	39.3	Very low	132 Å²	132	135.8 Å²	135.8	86%	0.857	75%	0.746	S	S	*	*			trans	-60	100.6	-172.6	22.9	-33.4	0	0	0	110.3	F402	P400-F402 PolarHBondContact O-N 3.48Å
401	T	43.5	Very low	39.4	Very low	114 Å²	114	136.9 Å²	136.9	70%	0.699	75%	0.747	S	S	*	*			trans	-82.1	120.5	-173.3	-64	0	0	0	0	108.2	L399 I403	L399-T401 PolarHBondContact O-N 2.91Å; L399-T401 PolarHBondContact O-OG1 3.46Å; T401-I403 PolarHBondContact O-N 2.88Å
402	F	49.1	Very low	39.6	Very low	144 Å²	144	141.2 Å²	141.2	63%	0.632	76%	0.755	S	S	*	*			trans	-60.7	108.8	178.9	177.2	-98.7	0	0	0	110.4	P400 P404	P400-F402 PolarHBondContact O-N 3.48Å; F402-P404 HydrophobicContact CD1-CG 4.12Å; F402-P404 HydrophobicContact CE1-CB 4.04Å; F402-P404 HydrophobicContact CE1-CG 3.92Å; F402-P404 WeakPolarHBondContact O-CD 3.39Å
403	I	52	Low	39.9	Very low	140 Å²	140	142.9 Å²	142.9	72%	0.718	76%	0.761	S	S	*	*			trans	-86.4	112.5	170.8	-57.3	175.6	0	0	0	107.2	T401 Q405	T401-I403 PolarHBondContact O-N 2.88Å; I403-Q405 PolarHBondContact O-N 3.05Å
404	P	47.5	Very low	39.9	Very low	68 Å²	68	140.6 Å²	140.6	44%	0.442	76%	0.762	S	S	.	*			trans	-65.1	126.2	173.9	-15.5	30.2	0	0	0	109.1	F402 S406	F402-P404 HydrophobicContact CD1-CG 4.12Å; F402-P404 HydrophobicContact CE1-CB 4.04Å; F402-P404 HydrophobicContact CE1-CG 3.92Å; F402-P404 WeakPolarHBondContact O-CD 3.39Å; P404-S406 PolarHBondContact O-N 3.23Å
405	Q	46.7	Very low	39.7	Very low	177 Å²	177	139.9 Å²	139.9	83%	0.827	76%	0.76	S	S	*	*			trans	-63.9	110.9	173.1	-72.8	-174.6	-14.9	0	0	109.5	I403 M407	I403-Q405 PolarHBondContact O-N 3.05Å; Q405-M407 PolarHBondContact O-N 3.05Å
406	S	37.1	Very low	40.3	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	77%	0.767	S	S	*	*			trans	-72.2	97	179	57	0	0	0	0	110.5	P404 D408	P404-S406 PolarHBondContact O-N 3.23Å; S406-D408 PolarHBondContact O-N 3.28Å
407	M	36.4	Very low	40.7	Very low	166 Å²	166	142.4 Å²	142.4	82%	0.818	77%	0.773	S	S	*	*			trans	-75.8	123	169.2	-68.4	-166.9	172.1	0	0	110.3	Q405	Q405-M407 PolarHBondContact O-N 3.05Å
408	D	36.8	Very low	41.4	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	76%	0.757	S	S	*	*			trans	49.5	89.2	170.3	-65	-37.2	0	0	0	118.4	S406 K410	S406-D408 PolarHBondContact O-N 3.28Å; D408-K410 PolarHBondContact O-N 3.45Å
409	S	32.6	Very low	42.3	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	75%	0.747	S	S	*	*			trans	-60.6	87.9	169.7	-56.8	0	0	0	0	113.7
410	K	35.5	Very low	42.8	Very low	175 Å²	175	135.9 Å²	135.9	76%	0.761	74%	0.737	S	S	*	*			trans	-150.3	143.1	154.8	-91.4	118.5	-174.6	178.6	0	110.9	D408	D408-K410 PolarHBondContact O-N 3.45Å
411	N	33.6	Very low	43.1	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	72%	0.722	S	S	*	*	S	Bend	trans	74.1	42.5	161.7	-50.6	-15.4	0	0	0	119.7
412	Y	37.1	Very low	43.8	Very low	233 Å²	233	131.4 Å²	131.4	91%	0.914	71%	0.707	S	S	*	*			trans	-132.4	122	155.3	-77.9	-73.1	0	0	0	112.9
413	T	37.8	Very low	44	Very low	141 Å²	141	130.4 Å²	130.4	87%	0.865	71%	0.705	S	S	*	*			trans	-79.8	135.6	172.3	42.9	0	0	0	0	110.2	N415	T413-N415 PolarHBondContact O-N 3.04Å
414	A	32.7	Very low	44.1	Very low	96 Å²	96	125.6 Å²	125.6	79%	0.793	69%	0.687	S	S	*	*	S	Bend	trans	-66.5	123.1	-177.6	0	0	0	0	0	112
415	N	36.1	Very low	44.3	Very low	161 Å²	161	129 Å²	129	86%	0.861	70%	0.701	S	S	*	*			trans	-179.4	76.5	159.6	-97.1	-39.1	0	0	0	111.2	T413	T413-N415 PolarHBondContact O-N 3.04Å
416	N	46.5	Very low	44.6	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	70%	0.695	S	S	*	*			trans	-165.9	114.3	159.5	-126.8	-32.6	0	0	0	112.9	Q418	N416-Q418 VanDerWaalsContact C-N 3.28Å; N416-Q418 HydrophobicContact CB-CG 4.41Å; N416-Q418 PolarHBondContact O-N 3.41Å
417	D	46.8	Very low	45.3	Very low	177 Å²	177	126.6 Å²	126.6	95%	0.947	68%	0.682	S	S	*	*			trans	-79	73.6	169.8	-65	-50.8	0	0	0	110.4
418	Q	56.4	Low	45.7	Very low	104 Å²	104	122.8 Å²	122.8	49%	0.486	67%	0.672	S	S	.	*			trans	-110.4	130.4	172.3	-62.4	-148.2	13.7	0	0	111.6	N416	N416-Q418 VanDerWaalsContact C-N 3.28Å; N416-Q418 HydrophobicContact CB-CG 4.41Å; N416-Q418 PolarHBondContact O-N 3.41Å
419	N	53.8	Low	46.4	Very low	96 Å²	96	121.1 Å²	121.1	51%	0.513	67%	0.667	S	S	.	*			trans	-59.1	125.3	-179.9	179.2	-20.1	0	0	0	109.8	V421 V422 M423	N419-V421 PolarHBondContact O-N 2.94Å; N419-V421 VanDerWaalsContact O-N 3.07Å; N419-V421 WeakPolarHBondContact OD1-CB 3.47Å; N419-V421 WeakPolarHBondContact OD1-CG2 3.44Å; N419-V421 PolarHBondContact OD1-N 2.83Å; N419-V421 VanDerWaalsContact OD1-N 3.13Å; N419-V422 HydrophobicContact CB-CG2 4.22Å; N419-V422 WeakPolarHBondContact O-CB 3.44Å; N419-V422 PolarHBondContact O-N 2.82Å; N419-M423 PolarHBondContact O-N 3.25Å
420	P	54.5	Low	47.1	Very low	86 Å²	86	120.5 Å²	120.5	56%	0.558	66%	0.663	S	S	*	*	H	α-helix	trans	-57.8	-27.9	-174.3	21.4	-33.7	0	0	0	113.6	V422 M423 A424	P420-V422 VanDerWaalsContact C-N 3.27Å; P420-V422 PolarHBondContact O-N 2.86Å; P420-M423 PolarHBondContact O-N 3.43Å; P420-M423 VanDerWaalsContact O-N 3.15Å; P420-A424 PolarHBondContact O-N 2.94Å
421	V	53	Low	47.6	Very low	88 Å²	88	118.2 Å²	118.2	53%	0.533	66%	0.659	S	S	.	*	H	α-helix	trans	-59.1	-38.3	173.8	-178.6	0	0	0	0	111.6	N419 A424 L425	N419-V421 PolarHBondContact O-N 2.94Å; N419-V421 VanDerWaalsContact O-N 3.07Å; N419-V421 WeakPolarHBondContact OD1-CB 3.47Å; N419-V421 WeakPolarHBondContact OD1-CG2 3.44Å; N419-V421 PolarHBondContact OD1-N 2.83Å; N419-V421 VanDerWaalsContact OD1-N 3.13Å; V421-A424 PolarHBondContact O-N 3.2Å; V421-L425 HydrophobicContact CG1-CD1 4.06Å; V421-L425 WeakPolarHBondContact O-CB 3.32Å; V421-L425 WeakPolarHBondContact O-CG 3.19Å; V421-L425 PolarHBondContact O-N 3.13Å
422	V	57.3	Low	48.2	Very low	64 Å²	64	116.9 Å²	116.9	39%	0.388	65%	0.651	S	S	.	*	H	α-helix	trans	-73.1	-31.9	178.8	-177.5	0	0	0	0	111.1	N419 P420 N426	N419-V422 HydrophobicContact CB-CG2 4.22Å; N419-V422 WeakPolarHBondContact O-CB 3.44Å; N419-V422 PolarHBondContact O-N 2.82Å; P420-V422 VanDerWaalsContact C-N 3.27Å; P420-V422 PolarHBondContact O-N 2.86Å; V422-N426 PolarHBondContact O-N 3.04Å; V422-N426 PolarHBondContact O-ND2 3.34Å
423	M	54.2	Low	48.6	Very low	122 Å²	122	116.6 Å²	116.6	60%	0.601	65%	0.648	S	S	*	*	H	α-helix	trans	-70.9	-40.1	172.8	-64	-166.3	74.6	0	0	111.6	N419 P420 N426 Q427	N419-M423 PolarHBondContact O-N 3.25Å; P420-M423 PolarHBondContact O-N 3.43Å; P420-M423 VanDerWaalsContact O-N 3.15Å; M423-N426 PolarHBondContact O-N 2.88Å; M423-Q427 PolarHBondContact O-N 2.89Å
424	A	53.9	Low	49.2	Very low	40 Å²	40	114.4 Å²	114.4	33%	0.331	63%	0.63	S	S	.	*	H	α-helix	trans	-62.9	-45.9	176	0	0	0	0	0	112.4	P420 V421 N426 Q427	P420-A424 PolarHBondContact O-N 2.94Å; V421-A424 PolarHBondContact O-N 3.2Å; A424-N426 PolarHBondContact O-N 3.3Å; A424-Q427 WeakPolarHBondContact O-CB 3.44Å; A424-Q427 PolarHBondContact O-N 3.03Å; A424-Q427 VanDerWaalsContact O-N 3.07Å
425	L	51.5	Low	49.9	Very low	139 Å²	139	117 Å²	117	73%	0.728	63%	0.625	S	S	*	*	H	α-helix	trans	-64.1	-20.8	177.2	-74.3	167.5	0	0	0	114.1	V421	V421-L425 HydrophobicContact CG1-CD1 4.06Å; V421-L425 WeakPolarHBondContact O-CB 3.32Å; V421-L425 WeakPolarHBondContact O-CG 3.19Å; V421-L425 PolarHBondContact O-N 3.13Å
426	N	52.6	Low	50.9	Low	131 Å²	131	114.5 Å²	114.5	70%	0.701	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	0.4	175.7	-77.2	-68.4	0	0	0	113.5	V422 M423 A424	V422-N426 PolarHBondContact O-N 3.04Å; V422-N426 PolarHBondContact O-ND2 3.34Å; M423-N426 PolarHBondContact O-N 2.88Å; A424-N426 PolarHBondContact O-N 3.3Å
427	Q	51.9	Low	51.5	Low	99 Å²	99	111.4 Å²	111.4	46%	0.463	60%	0.596	S	S	.	*	S	Bend	trans	-69.8	139.5	170.7	-68	-171.3	1.2	0	0	110.4	M423 A424 T429	M423-Q427 PolarHBondContact O-N 2.89Å; A424-Q427 WeakPolarHBondContact O-CB 3.44Å; A424-Q427 PolarHBondContact O-N 3.03Å; A424-Q427 VanDerWaalsContact O-N 3.07Å; Q427-T429 PolarHBondContact O-N 2.72Å
428	S	46.2	Very low	52.4	Low	86 Å²	86	110.2 Å²	110.2	60%	0.601	58%	0.584	S	S	*	*			trans	-57.6	131.5	174.4	49.5	0	0	0	0	110.7	S430	S428-S430 PolarHBondContact O-N 3.23Å; S428-S430 PolarHBondContact O-OG 2.76Å
429	T	50.3	Low	52.7	Low	116 Å²	116	107.3 Å²	107.3	71%	0.712	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-59.2	-4.4	-169.7	51.2	0	0	0	0	116.2	Q427 L431 L432	Q427-T429 PolarHBondContact O-N 2.72Å; T429-L431 PolarHBondContact O-N 2.9Å; T429-L431 VanDerWaalsContact O-N 3.12Å; T429-L432 HydrophobicContact CG2-CD1 4.44Å; T429-L432 PolarHBondContact O-N 3.13Å
430	S	48.1	Very low	53.2	Low	94 Å²	94	105.3 Å²	105.3	66%	0.657	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-65.5	-4.8	175.6	54.8	0	0	0	0	115.7	S428	S428-S430 PolarHBondContact O-N 3.23Å; S428-S430 PolarHBondContact O-OG 2.76Å
431	L	45.5	Very low	53.7	Low	127 Å²	127	104.6 Å²	104.6	67%	0.665	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-110.7	-3.9	176.5	-62.9	-179.8	0	0	0	113.8	T429 R433	T429-L431 PolarHBondContact O-N 2.9Å; T429-L431 VanDerWaalsContact O-N 3.12Å; L431-R433 PolarHBondContact O-N 3.04Å
432	L	45.7	Very low	54.3	Low	122 Å²	122	107.7 Å²	107.7	64%	0.639	56%	0.563	S	S	*	*			trans	-79.2	106.2	173.1	-65.6	176.8	0	0	0	109	T429 I434	T429-L432 HydrophobicContact CG2-CD1 4.44Å; T429-L432 PolarHBondContact O-N 3.13Å; L432-I434 HydrophobicContact CB-CG1 4.38Å; L432-I434 PolarHBondContact O-N 2.83Å
433	R	46.2	Very low	55.2	Low	228 Å²	228	108.5 Å²	108.5	86%	0.86	57%	0.568	S	S	*	*			trans	-75.3	65.7	179.8	-170.1	178.6	179.1	159.2	-2.6	111	L431 Q435	L431-R433 PolarHBondContact O-N 3.04Å; R433-Q435 PolarHBondContact O-N 3.32Å
434	I	50.4	Low	56.7	Low	94 Å²	94	103.5 Å²	103.5	48%	0.482	54%	0.543	S	S	.	.			trans	-65.8	115	175.5	-62.9	171.7	0	0	0	108.4	L432 R440	L432-I434 HydrophobicContact CB-CG1 4.38Å; L432-I434 PolarHBondContact O-N 2.83Å; I434-R440 PolarHBondContact O-NE 3.21Å
435	Q	47.6	Very low	58.1	Low	150 Å²	150	105.4 Å²	105.4	70%	0.701	55%	0.546	S	S	*	.			trans	-82	-22.4	-172	-74.3	-178.7	-123.4	0	0	113.4	R433 D437 R440	R433-Q435 PolarHBondContact O-N 3.32Å; Q435-D437 PolarHBondContact O-N 3.36Å; Q435-R440 PolarHBondContact O-NH2 3.35Å
436	D	56.3	Low	60	Low	110 Å²	110	98.8 Å²	98.8	59%	0.588	51%	0.511	S	S	*	.			trans	-64.4	105.5	-175.1	-44.9	-41.8	0	0	0	111.9	E438 S439 R440	D436-E438 VanDerWaalsContact C-N 3.33Å; D436-E438 PolarHBondContact O-N 2.9Å; D436-S439 PolarHBondContact O-N 2.69Å; D436-S439 PolarHBondContact O-OG 3.18Å; D436-R440 PolarHBondContact O-N 3.31Å
437	D	59	Low	61.9	Low	66 Å²	66	95.5 Å²	95.5	35%	0.353	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-36.2	-179.4	-80.2	-58.9	0	0	0	112.2	Q435 S439 R440 Q441 R476	Q435-D437 PolarHBondContact O-N 3.36Å; D437-S439 VanDerWaalsContact C-N 3.32Å; D437-S439 PolarHBondContact O-N 3.19Å; D437-R440 CarbonylContact O-C 3.58Å; D437-R440 PolarHBondContact O-N 2.85Å; D437-R440 VanDerWaalsContact O-N 3.09Å; D437-R440 IonicContact OD1-CZ 3.14Å; D437-R440 IonicContact OD1-NH1 2.65Å; D437-R440 PolarHBondContact OD1-NH1 2.9Å; D437-R440 IonicContact OD1-NH2 2.74Å; D437-R440 PolarHBondContact OD1-NH2 3.41Å; D437-R440 IonicContact OD2-NH2 3.76Å; D437-Q441 WeakPolarHBondContact O-CG 3.48Å; D437-Q441 PolarHBondContact O-N 3.05Å; D437-R476 HydrophobicContact CB-CB 4.25Å; D437-R476 HydrophobicContact CB-CG 4.18Å; D437-R476 WeakPolarHBondContact OD1-CG 3.42Å
438	E	66	Low	64	Low	152 Å²	152	90.8 Å²	90.8	71%	0.71	47%	0.467	S	S	*	.	H	α-helix	trans	-58.7	-41.8	175.5	-60.2	-168	151.4	0	0	112.2	D436 R440 Q441 L442	D436-E438 VanDerWaalsContact C-N 3.33Å; D436-E438 PolarHBondContact O-N 2.9Å; E438-R440 PolarHBondContact O-N 3.47Å; E438-Q441 WeakPolarHBondContact O-CB 3.4Å; E438-Q441 PolarHBondContact O-N 3.28Å; E438-Q441 VanDerWaalsContact O-N 3.15Å; E438-L442 WeakPolarHBondContact O-CG 3.43Å; E438-L442 PolarHBondContact O-N 3.01Å; E438-L442 VanDerWaalsContact O-N 3.17Å
439	S	62.4	Low	66.3	Low	44 Å²	44	86.9 Å²	86.9	31%	0.308	44%	0.44	S	S	.	.	H	α-helix	trans	-61	-34.9	177.4	79.5	0	0	0	0	112	D436 D437 V443	D436-S439 PolarHBondContact O-N 2.69Å; D436-S439 PolarHBondContact O-OG 3.18Å; D437-S439 VanDerWaalsContact C-N 3.32Å; D437-S439 PolarHBondContact O-N 3.19Å; S439-V443 PolarHBondContact O-N 3.12Å
440	R	64	Low	68.4	Low	54 Å²	54	81.6 Å²	81.6	20%	0.204	41%	0.408	C	S	.	.	H	α-helix	trans	-80.7	-24.3	179.3	-66.4	-174.9	-86.7	108.4	-1.9	112.5	I434 Q435 D436 D437 E438 P474	I434-R440 PolarHBondContact O-NE 3.21Å; Q435-R440 PolarHBondContact O-NH2 3.35Å; D436-R440 PolarHBondContact O-N 3.31Å; D437-R440 CarbonylContact O-C 3.58Å; D437-R440 PolarHBondContact O-N 2.85Å; D437-R440 VanDerWaalsContact O-N 3.09Å; D437-R440 IonicContact OD1-CZ 3.14Å; D437-R440 IonicContact OD1-NH1 2.65Å; D437-R440 PolarHBondContact OD1-NH1 2.9Å; D437-R440 IonicContact OD1-NH2 2.74Å; D437-R440 PolarHBondContact OD1-NH2 3.41Å; D437-R440 IonicContact OD2-NH2 3.76Å; E438-R440 PolarHBondContact O-N 3.47Å; R440-P474 PolarHBondContact NH1-O 2.95Å; R440-P474 VanDerWaalsContact NH1-O 3.14Å
441	Q	65.3	Low	70.6	Confident	70 Å²	70	77.2 Å²	77.2	33%	0.327	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-40.4	168.2	-68.4	177.2	33.2	0	0	112.5	D437 E438 R476 C478	D437-Q441 WeakPolarHBondContact O-CG 3.48Å; D437-Q441 PolarHBondContact O-N 3.05Å; E438-Q441 WeakPolarHBondContact O-CB 3.4Å; E438-Q441 PolarHBondContact O-N 3.28Å; E438-Q441 VanDerWaalsContact O-N 3.15Å; Q441-R476 HydrophobicContact CG-CB 4.35Å; Q441-C478 PolarHBondContact O-SG 3.05Å
442	L	66.4	Low	72.9	Confident	153 Å²	153	75.2 Å²	75.2	80%	0.801	36%	0.364	S	S	*	.	H	α-helix	trans	-71.5	-26.8	-178.4	-66.5	170.6	0	0	0	114.2	E438	E438-L442 WeakPolarHBondContact O-CG 3.43Å; E438-L442 PolarHBondContact O-N 3.01Å; E438-L442 VanDerWaalsContact O-N 3.17Å
443	V	75.9	Confident	75.2	Confident	82 Å²	82	69.7 Å²	69.7	50%	0.497	34%	0.335	S	S	.	.			trans	-104.9	102.4	-173.8	-175	0	0	0	0	112.1	S439 E445	S439-V443 PolarHBondContact O-N 3.12Å; V443-E445 VanDerWaalsContact C-N 3.35Å; V443-E445 HydrophobicContact CG1-CG 3.91Å; V443-E445 PolarHBondContact O-N 3.34Å
444	D	85.1	Confident	77.4	Confident	16 Å²	16	58.8 Å²	58.8	9%	0.086	29%	0.294	C	S	.	.			trans	-68.5	88.6	167.9	164.2	40.3	0	0	0	111.5	G446 C478 W480 H577 K581	D444-G446 VanDerWaalsContact C-N 3.29Å; D444-G446 PolarHBondContact O-N 2.94Å; D444-G446 PolarHBondContact OD1-N 3.2Å; D444-C478 HydrophobicContact CB-CB 3.81Å; D444-W480 PolarHBondContact OD1-NE1 3.36Å; D444-H577 PolarHBondContact O-CE1 2.68Å; D444-H577 VanDerWaalsContact O-CE1 3.25Å; D444-H577 IonicContact OD1-CD2 3.6Å; D444-H577 IonicContact OD1-CE1 2.79Å; D444-H577 IonicContact OD1-NE2 3.22Å; D444-H577 PolarHBondContact OD1-NE2 3.31Å; D444-H577 IonicContact OD2-CD2 2.73Å; D444-H577 IonicContact OD2-CE1 2.71Å; D444-H577 IonicContact OD2-NE2 2.72Å; D444-H577 PolarHBondContact OD2-NE2 2.87Å; D444-K581 VanDerWaalsContact OD2-CD 3.28Å; D444-K581 WeakPolarHBondContact OD2-CD 3.34Å; D444-K581 WeakPolarHBondContact OD2-CE 3.33Å; D444-K581 IonicContact OD2-NZ 2.95Å; D444-K581 PolarHBondContact OD2-NZ 3.43Å
445	E	83.7	Confident	79.4	Confident	80 Å²	80	58.4 Å²	58.4	37%	0.374	29%	0.286	S	S	.	.			trans	-77.3	-4.3	176.4	-77.6	-153.6	-115.2	0	0	114.8	V443 Y447 K571	V443-E445 VanDerWaalsContact C-N 3.35Å; V443-E445 HydrophobicContact CG1-CG 3.91Å; V443-E445 PolarHBondContact O-N 3.34Å; E445-Y447 HydrophobicContact CB-CD2 3.76Å; E445-Y447 HydrophobicContact CB-CE2 3.77Å; E445-Y447 HydrophobicContact CG-CE2 4.43Å; E445-K571 WeakPolarHBondContact O-CE 3.4Å; E445-K571 IonicContact OE2-NZ 3.42Å; E445-K571 PolarHBondContact OE2-NZ 3.39Å
446	G	90.9	Very high	81.6	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.01	25%	0.253	C	S	.	.			trans	74.1	34.6	-177.5	0	0	0	0	0	114.3	D444 L572 H577	D444-G446 VanDerWaalsContact C-N 3.29Å; D444-G446 PolarHBondContact O-N 2.94Å; D444-G446 PolarHBondContact OD1-N 3.2Å; G446-L572 WeakPolarHBondContact O-CB 3.14Å; G446-L572 WeakPolarHBondContact O-CG 3.2Å; G446-L572 PolarHBondContact O-N 2.99Å; G446-H577 VanDerWaalsContact CA-CD2 3.49Å; G446-H577 WeakPolarHBondContact CA-CD2 3.27Å; G446-H577 WeakPolarHBondContact CA-NE2 3.32Å; G446-H577 PolarHBondContact N-CE1 2.89Å; G446-H577 PolarHBondContact N-NE2 3.21Å
447	Y	93.5	Very high	83.4	Confident	61 Å²	61	46.2 Å²	46.2	24%	0.239	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	144.7	166.4	-77.3	-75.2	0	0	0	110.8	E445 Y475 W480 I569 Y570 K571	E445-Y447 HydrophobicContact CB-CD2 3.76Å; E445-Y447 HydrophobicContact CB-CE2 3.77Å; E445-Y447 HydrophobicContact CG-CE2 4.43Å; Y447-Y475 HydrophobicContact CD2-CD2 4.37Å; Y447-Y475 AromaticContact CD2-CE2 3.57Å; Y447-Y475 HydrophobicContact CD2-CE2 3.57Å; Y447-Y475 AromaticContact CD2-CZ 3.89Å; Y447-Y475 HydrophobicContact CE2-CE2 4.12Å; Y447-Y475 HydrophobicContact CG-CE2 4.15Å; Y447-W480 WeakPolarHBondContact O-CB 3.46Å; Y447-W480 VanDerWaalsContact O-CD1 3.27Å; Y447-W480 PolarHBondContact O-N 3.38Å; Y447-I569 HydrophobicContact CD1-CG2 3.6Å; Y447-I569 HydrophobicContact CE1-CG2 4.49Å; Y447-I569 HydrophobicContact CG-CG2 4.12Å; Y447-Y570 CarbonylContact C-O 3.33Å; Y447-K571 HydrophobicContact CE1-CB 4.48Å; Y447-K571 HydrophobicContact CE1-CD 4.41Å
448	C	94.8	Very high	84.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.9	-176.3	-171.1	0	0	0	0	111.4	W480 I569 Y570 L572	C448-W480 CarbonylContact C-O 3.46Å; C448-W480 WeakPolarHBondContact CA-O 3.39Å; C448-W480 HydrophobicContact CB-CB 3.94Å; C448-W480 PolarHBondContact SG-O 3.36Å; C448-I569 WeakPolarHBondContact O-CA 3.36Å; C448-Y570 HydrophobicContact CB-CD2 4.24Å; C448-Y570 HydrophobicContact CB-CE1 4.39Å; C448-Y570 HydrophobicContact CB-CE2 3.78Å; C448-Y570 PolarHBondContact N-O 3.39Å; C448-Y570 WeakPolarHBondContact O-CD1 3.35Å; C448-Y570 PolarHBondContact O-N 3.17Å; C448-Y570 PolarHBondContact SG-OH 3.43Å; C448-Y570 VanDerWaalsContact SG-OH 3.34Å; C448-L572 HydrophobicContact CB-CD1 4.42Å; C448-L572 HydrophobicContact CB-CD2 3.6Å; C448-L572 HydrophobicContact CB-CG 3.77Å
449	L	95	Very high	86.2	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.8	170.2	-179.6	61.9	0	0	0	109.6	W471 L479 W480 A482 F549 I569	L449-W471 HydrophobicContact CD1-CH2 4.34Å; L449-W471 HydrophobicContact CD1-CZ2 4.04Å; L449-L479 HydrophobicContact CB-CD1 4.1Å; L449-L479 HydrophobicContact CB-CD2 3.79Å; L449-L479 HydrophobicContact CB-CG 4.22Å; L449-L479 HydrophobicContact CD2-CD2 4.11Å; L449-W480 PolarHBondContact N-O 2.86Å; L449-A482 PolarHBondContact O-N 3.41Å; L449-F549 HydrophobicContact CD2-CD2 4.35Å; L449-F549 HydrophobicContact CD2-CE2 4.17Å; L449-I569 HydrophobicContact CB-CG1 4.31Å; L449-I569 HydrophobicContact CD1-CG1 4.34Å
450	S	95.1	Very high	87.6	Confident	6 Å²	6	34.1 Å²	34.1	4%	0.042	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.4	172.1	-56.9	0	0	0	0	111.8	R469 A482 G565 K566 Y570	S450-R469 PolarHBondContact O-NH2 3.21Å; S450-A482 CarbonylContact C-O 3.6Å; S450-A482 WeakPolarHBondContact CA-O 3.09Å; S450-G565 WeakPolarHBondContact OG-CA 3.19Å; S450-K566 PolarHBondContact OG-N 3.17Å; S450-Y570 WeakPolarHBondContact OG-CE1 3.23Å; S450-Y570 PolarHBondContact OG-OH 2.75Å; S450-Y570 VanDerWaalsContact OG-OH 3.05Å
451	L	94.1	Very high	88.9	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.8	-177.9	-78.3	169.1	0	0	0	111.3	A456 L459 E467 I481 A482 S483 T484	L451-A456 HydrophobicContact CB-CB 3.49Å; L451-A456 VanDerWaalsContact CB-CB 3.49Å; L451-L459 HydrophobicContact CD1-CB 4.45Å; L451-L459 HydrophobicContact CD1-CD2 3.36Å; L451-E467 HydrophobicContact CD2-CG 3.78Å; L451-E467 WeakPolarHBondContact CD2-OE1 3.35Å; L451-I481 HydrophobicContact CD1-CD1 3.99Å; L451-I481 HydrophobicContact CD1-CG2 3.81Å; L451-A482 PolarHBondContact N-O 3.05Å; L451-S483 CarbonylContact O-C 3.51Å; L451-S483 WeakPolarHBondContact O-CA 3.5Å; L451-T484 PolarHBondContact O-N 3.3Å; L451-T484 PolarHBondContact O-OG1 3.37Å
452	H	93.5	Very high	90	Very high	85 Å²	85	33.3 Å²	33.3	39%	0.394	16%	0.164	S	C	.	.			trans	-76.7	150.6	172.6	-68.8	-115.4	0	0	0	109.7	W455 A456 H486	H452-W455 WeakPolarHBondContact O-CB 3.26Å; H452-W455 PolarHBondContact O-N 3.2Å; H452-A456 PolarHBondContact O-N 3.49Å; H452-H486 AromaticContact CE1-CD2 3.91Å; H452-H486 AromaticContact CE1-CG 3.88Å; H452-H486 VanDerWaalsContact ND1-CB 3.28Å; H452-H486 WeakPolarHBondContact ND1-CB 3.39Å; H452-H486 AromaticContact ND1-CD2 3.64Å; H452-H486 AromaticContact ND1-CG 3.26Å; H452-H486 VanDerWaalsContact ND1-CG 3.26Å; H452-H486 AromaticContact ND1-ND1 3.73Å
453	Q	93.7	Very high	91	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.023	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	154.2	168	-67	-66.8	20.3	0	0	109.9	W455 S457 T488 P515	Q453-W455 VanDerWaalsContact C-N 3.31Å; Q453-S457 PolarHBondContact NE2-OG 3.39Å; Q453-S457 VanDerWaalsContact OE1-N 3.1Å; Q453-S457 PolarHBondContact OE1-OG 3.4Å; Q453-T488 WeakPolarHBondContact O-CB 3.41Å; Q453-T488 WeakPolarHBondContact O-CG2 3.45Å; Q453-T488 PolarHBondContact O-OG1 2.85Å; Q453-P515 PolarHBondContact NE2-O 3.38Å
454	P	93.2	Very high	91.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	cis	-75.4	-10.6	-3.4	31.9	-36.1	0	0	0	114.5	A456 S457 L458 I493 I496 Y514	P454-A456 VanDerWaalsContact C-N 3.3Å; P454-A456 PolarHBondContact O-N 3.22Å; P454-S457 PolarHBondContact O-N 3.24Å; P454-S457 VanDerWaalsContact O-N 3.13Å; P454-L458 HydrophobicContact CB-CD1 4.06Å; P454-L458 HydrophobicContact CB-CG 4.46Å; P454-L458 HydrophobicContact CG-CD1 4.2Å; P454-L458 WeakPolarHBondContact O-CG 3.32Å; P454-L458 PolarHBondContact O-N 2.85Å; P454-L458 VanDerWaalsContact O-N 3.1Å; P454-I493 HydrophobicContact CB-CG1 4.33Å; P454-I493 HydrophobicContact CG-CG1 4.37Å; P454-I496 HydrophobicContact CG-CB 4.1Å; P454-I496 HydrophobicContact CG-CD1 3.54Å; P454-I496 HydrophobicContact CG-CG1 4.42Å; P454-I496 HydrophobicContact CG-CG2 3.95Å; P454-Y514 HydrophobicContact CB-CD1 3.73Å; P454-Y514 HydrophobicContact CB-CE1 3.22Å
455	W	92.5	Very high	91.8	Very high	85 Å²	85	27.8 Å²	27.8	32%	0.322	13%	0.13	S	C	.	.	H	α-helix	trans	-56.3	-37.5	-171.4	-52.3	115.7	0	0	0	114.3	H452 Q453 S457 L458 L459 K464 I496 Y500	H452-W455 WeakPolarHBondContact O-CB 3.26Å; H452-W455 PolarHBondContact O-N 3.2Å; Q453-W455 VanDerWaalsContact C-N 3.31Å; W455-S457 PolarHBondContact O-N 3Å; W455-L458 HydrophobicContact CE3-CD1 4Å; W455-L458 HydrophobicContact CZ3-CD1 4.33Å; W455-L458 PolarHBondContact O-N 3.43Å; W455-L459 WeakPolarHBondContact O-CB 3.33Å; W455-L459 PolarHBondContact O-N 3.41Å; W455-K464 HydrophobicContact CE3-CD 3.65Å; W455-K464 HydrophobicContact CZ3-CD 3.97Å; W455-I496 HydrophobicContact CH2-CD1 4.11Å; W455-I496 HydrophobicContact CH2-CG1 4.3Å; W455-I496 HydrophobicContact CH2-CG2 4.1Å; W455-I496 HydrophobicContact CZ2-CD1 3.67Å; W455-I496 HydrophobicContact CZ2-CG1 4.3Å; W455-I496 HydrophobicContact CZ3-CG2 4.05Å; W455-Y500 HydrophobicContact CZ3-CE2 4.05Å
456	A	94	Very high	92.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-44.2	177.6	0	0	0	0	0	112.8	L451 H452 P454 V460 L520	L451-A456 HydrophobicContact CB-CB 3.49Å; L451-A456 VanDerWaalsContact CB-CB 3.49Å; H452-A456 PolarHBondContact O-N 3.49Å; P454-A456 VanDerWaalsContact C-N 3.3Å; P454-A456 PolarHBondContact O-N 3.22Å; A456-V460 WeakPolarHBondContact O-CG2 3.46Å; A456-V460 PolarHBondContact O-N 2.95Å; A456-L520 HydrophobicContact CB-CD1 3.66Å
457	S	92.8	Very high	92.1	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-73.9	-37.5	175.9	-66.4	0	0	0	0	112.5	Q453 P454 W455 V460 R461	Q453-S457 PolarHBondContact NE2-OG 3.39Å; Q453-S457 VanDerWaalsContact OE1-N 3.1Å; Q453-S457 PolarHBondContact OE1-OG 3.4Å; P454-S457 PolarHBondContact O-N 3.24Å; P454-S457 VanDerWaalsContact O-N 3.13Å; W455-S457 PolarHBondContact O-N 3Å; S457-V460 PolarHBondContact O-N 2.91Å; S457-R461 WeakPolarHBondContact O-CB 3.49Å; S457-R461 WeakPolarHBondContact O-CG 3.46Å; S457-R461 PolarHBondContact O-N 3.14Å
458	L	92.1	Very high	92	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-37.8	-179.9	-66.5	170.9	0	0	0	112.5	P454 W455 R461 G462 I463 K464 I496 Y500 M510 P511	P454-L458 HydrophobicContact CB-CD1 4.06Å; P454-L458 HydrophobicContact CB-CG 4.46Å; P454-L458 HydrophobicContact CG-CD1 4.2Å; P454-L458 WeakPolarHBondContact O-CG 3.32Å; P454-L458 PolarHBondContact O-N 2.85Å; P454-L458 VanDerWaalsContact O-N 3.1Å; W455-L458 HydrophobicContact CE3-CD1 4Å; W455-L458 HydrophobicContact CZ3-CD1 4.33Å; W455-L458 PolarHBondContact O-N 3.43Å; L458-R461 PolarHBondContact O-N 2.72Å; L458-G462 PolarHBondContact O-N 2.76Å; L458-I463 HydrophobicContact CB-CB 4.47Å; L458-I463 HydrophobicContact CD2-CB 4.21Å; L458-I463 HydrophobicContact CD2-CD1 3.85Å; L458-I463 HydrophobicContact CD2-CG2 4.06Å; L458-I463 PolarHBondContact O-N 2.95Å; L458-K464 HydrophobicContact CB-CB 4.45Å; L458-K464 PolarHBondContact O-N 3.1Å; L458-I496 HydrophobicContact CD1-CG2 3.63Å; L458-Y500 HydrophobicContact CD1-CD2 4.23Å; L458-Y500 HydrophobicContact CD1-CE2 3.92Å; L458-M510 HydrophobicContact CD2-CE 4.13Å; L458-P511 HydrophobicContact CD2-CG 4.45Å
459	L	92.7	Very high	91.8	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-45.9	174.3	176.4	64.9	0	0	0	111.8	L451 W455 R461 G462 K464 I481 V523 C551 P554	L451-L459 HydrophobicContact CD1-CB 4.45Å; L451-L459 HydrophobicContact CD1-CD2 3.36Å; W455-L459 WeakPolarHBondContact O-CB 3.33Å; W455-L459 PolarHBondContact O-N 3.41Å; L459-R461 PolarHBondContact O-N 2.87Å; L459-G462 PolarHBondContact O-N 3.11Å; L459-K464 WeakPolarHBondContact CA-O 3.3Å; L459-K464 WeakPolarHBondContact CD1-O 3.46Å; L459-I481 HydrophobicContact CD2-CD1 3.74Å; L459-I481 HydrophobicContact CD2-CG1 4.02Å; L459-V523 HydrophobicContact CD1-CG1 4.25Å; L459-V523 HydrophobicContact CD2-CG1 4.4Å; L459-V523 HydrophobicContact CG-CG1 3.99Å; L459-C551 HydrophobicContact CD1-CB 3.85Å; L459-P554 WeakPolarHBondContact O-CB 3.32Å
460	V	92.2	Very high	91.7	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-19.8	179.7	170	0	0	0	0	112.8	A456 S457 I481 L520 E556	A456-V460 WeakPolarHBondContact O-CG2 3.46Å; A456-V460 PolarHBondContact O-N 2.95Å; S457-V460 PolarHBondContact O-N 2.91Å; V460-I481 HydrophobicContact CG2-CB 3.58Å; V460-I481 HydrophobicContact CG2-CG1 4.03Å; V460-I481 HydrophobicContact CG2-CG2 3.59Å; V460-L520 HydrophobicContact CB-CB 4.5Å; V460-L520 HydrophobicContact CG1-CB 4.35Å; V460-L520 HydrophobicContact CG2-CB 4.09Å; V460-E556 VanDerWaalsContact CG1-CA 3.49Å; V460-E556 HydrophobicContact CG1-CB 3.72Å; V460-E556 HydrophobicContact CG1-CG 3.92Å
461	R	89.9	Confident	91.5	Very high	85 Å²	85	33 Å²	33	32%	0.321	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.6	169.2	-73.5	-69.3	175.5	99.9	-5.9	114.6	S457 L458 L459 I463 D509 M510 P511 E556	S457-R461 WeakPolarHBondContact O-CB 3.49Å; S457-R461 WeakPolarHBondContact O-CG 3.46Å; S457-R461 PolarHBondContact O-N 3.14Å; L458-R461 PolarHBondContact O-N 2.72Å; L459-R461 PolarHBondContact O-N 2.87Å; R461-I463 VanDerWaalsContact C-N 3.25Å; R461-I463 HydrophobicContact CB-CD1 3.77Å; R461-I463 HydrophobicContact CB-CG1 4.03Å; R461-I463 PolarHBondContact O-N 3.3Å; R461-D509 PolarHBondContact NH1-O 3.14Å; R461-M510 PolarHBondContact NH1-O 2.71Å; R461-P511 HydrophobicContact CG-CB 4.37Å; R461-E556 IonicContact CZ-OE2 3.3Å; R461-E556 VanDerWaalsContact CZ-OE2 3.25Å; R461-E556 IonicContact NE-OE2 3.34Å; R461-E556 PolarHBondContact NE-OE2 2.95Å; R461-E556 IonicContact NH2-OE1 3.05Å; R461-E556 IonicContact NH2-OE2 2.73Å; R461-E556 PolarHBondContact NH2-OE2 2.94Å
462	G	89.1	Confident	91.4	Very high	23 Å²	23	38.1 Å²	38.1	24%	0.237	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	9.1	-176.5	0	0	0	0	0	115.4	L458 L459	L458-G462 PolarHBondContact O-N 2.76Å; L459-G462 PolarHBondContact O-N 3.11Å
463	I	87.9	Confident	91.2	Very high	28 Å²	28	34.8 Å²	34.8	14%	0.144	17%	0.17	C	C	.	.	S	Bend	trans	-74.8	-29.9	179.9	-63.5	163	0	0	0	111.1	L458 R461 Y500 V505 M510	L458-I463 HydrophobicContact CB-CB 4.47Å; L458-I463 HydrophobicContact CD2-CB 4.21Å; L458-I463 HydrophobicContact CD2-CD1 3.85Å; L458-I463 HydrophobicContact CD2-CG2 4.06Å; L458-I463 PolarHBondContact O-N 2.95Å; R461-I463 VanDerWaalsContact C-N 3.25Å; R461-I463 HydrophobicContact CB-CD1 3.77Å; R461-I463 HydrophobicContact CB-CG1 4.03Å; R461-I463 PolarHBondContact O-N 3.3Å; I463-Y500 HydrophobicContact CG2-CD1 3.49Å; I463-Y500 VanDerWaalsContact CG2-CD1 3.49Å; I463-Y500 HydrophobicContact CG2-CD2 4.19Å; I463-Y500 HydrophobicContact CG2-CE1 3.87Å; I463-Y500 HydrophobicContact CG2-CG 3.68Å; I463-Y500 WeakPolarHBondContact O-CE1 3.32Å; I463-V505 HydrophobicContact CD1-CG1 4.38Å; I463-V505 HydrophobicContact CG1-CG1 4.18Å; I463-V505 HydrophobicContact CG2-CG1 4.38Å; I463-V505 HydrophobicContact CG2-CG2 4.22Å; I463-M510 HydrophobicContact CD1-SD 3.81Å
464	K	88.2	Confident	90.9	Very high	29 Å²	29	38.5 Å²	38.5	13%	0.126	19%	0.194	C	C	.	.			trans	-128.1	107.9	172.4	-173.5	-158.6	-172.3	-160.9	0	108.3	W455 L458 L459 E466 E467	W455-K464 HydrophobicContact CE3-CD 3.65Å; W455-K464 HydrophobicContact CZ3-CD 3.97Å; L458-K464 HydrophobicContact CB-CB 4.45Å; L458-K464 PolarHBondContact O-N 3.1Å; L459-K464 WeakPolarHBondContact CA-O 3.3Å; L459-K464 WeakPolarHBondContact CD1-O 3.46Å; K464-E466 VanDerWaalsContact CD-O 3.27Å; K464-E466 WeakPolarHBondContact CD-O 3.47Å; K464-E466 WeakPolarHBondContact CE-O 3.45Å; K464-E466 WeakPolarHBondContact CG-O 3.46Å; K464-E466 PolarHBondContact NZ-O 3.38Å; K464-E467 IonicContact NZ-OE2 2.72Å; K464-E467 PolarHBondContact NZ-OE2 3.44Å
465	L	87.9	Confident	90.7	Very high	77 Å²	77	39.7 Å²	39.7	40%	0.403	20%	0.199	S	C	.	.			trans	-88.7	-12.2	-177.6	-63.9	178.6	0	0	0	113.8	C551 P554	L465-C551 WeakPolarHBondContact O-CA 3.31Å; L465-C551 VanDerWaalsContact O-CB 3.28Å; L465-C551 WeakPolarHBondContact O-CB 3.38Å; L465-C551 PolarHBondContact O-N 3.28Å; L465-P554 HydrophobicContact CD2-CG 4.32Å
466	E	90.9	Very high	90.6	Very high	38 Å²	38	36.5 Å²	36.5	18%	0.178	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	144	178.1	-65.8	127	-135.8	0	0	111.8	K464 Y534 Q538 V548 F549	K464-E466 VanDerWaalsContact CD-O 3.27Å; K464-E466 WeakPolarHBondContact CD-O 3.47Å; K464-E466 WeakPolarHBondContact CE-O 3.45Å; K464-E466 WeakPolarHBondContact CG-O 3.46Å; K464-E466 PolarHBondContact NZ-O 3.38Å; E466-Y534 HydrophobicContact CG-CE2 3.92Å; E466-Y534 WeakPolarHBondContact OE2-CE2 3.38Å; E466-Y534 PolarHBondContact OE2-OH 3.47Å; E466-Q538 PolarHBondContact OE1-NE2 2.91Å; E466-Q538 PolarHBondContact OE1-OE1 3.13Å; E466-Q538 PolarHBondContact OE2-OE1 3.15Å; E466-Q538 VanDerWaalsContact OE2-OE1 3.08Å; E466-V548 HydrophobicContact CB-CG1 3.75Å; E466-V548 HydrophobicContact CG-CG1 4.09Å; E466-F549 WeakPolarHBondContact CA-O 3.33Å
467	E	91.3	Very high	90.4	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.7	172	172.2	60.4	179.7	0	0	112.8	L451 K464 R469 F549	L451-E467 HydrophobicContact CD2-CG 3.78Å; L451-E467 WeakPolarHBondContact CD2-OE1 3.35Å; K464-E467 IonicContact NZ-OE2 2.72Å; K464-E467 PolarHBondContact NZ-OE2 3.44Å; E467-R469 IonicContact OE1-CZ 3.72Å; E467-R469 IonicContact OE1-NE 3.56Å; E467-R469 PolarHBondContact OE1-NE 3.03Å; E467-R469 VanDerWaalsContact OE1-NE 3.09Å; E467-R469 IonicContact OE1-NH2 4Å; E467-F549 PolarHBondContact N-O 3Å; E467-F549 PolarHBondContact O-N 2.61Å
468	G	90.7	Very high	90.3	Very high	12 Å²	12	36.4 Å²	36.4	12%	0.124	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133	-178.4	0	0	0	0	0	113.2	S545 Y547	G468-S545 VanDerWaalsContact C-CB 3.4Å; G468-S545 VanDerWaalsContact CA-CB 3.42Å; G468-Y547 CarbonylContact C-O 3.58Å; G468-Y547 WeakPolarHBondContact CA-O 3.46Å
469	R	91.6	Very high	90.4	Very high	42 Å²	42	36.5 Å²	36.5	16%	0.158	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.7	174.5	-64.4	-61.8	176.5	137.9	15.6	112.4	S450 E467 W471 S545 Y547 F549	S450-R469 PolarHBondContact O-NH2 3.21Å; E467-R469 IonicContact OE1-CZ 3.72Å; E467-R469 IonicContact OE1-NE 3.56Å; E467-R469 PolarHBondContact OE1-NE 3.03Å; E467-R469 VanDerWaalsContact OE1-NE 3.09Å; E467-R469 IonicContact OE1-NH2 4Å; R469-W471 VanDerWaalsContact C-N 3.27Å; R469-W471 HydrophobicContact CG-CZ2 4.47Å; R469-W471 PolarHBondContact O-N 2.8Å; R469-S545 VanDerWaalsContact N-CB 3.29Å; R469-Y547 PolarHBondContact N-O 3.37Å; R469-Y547 PolarHBondContact O-N 3.42Å; R469-Y547 VanDerWaalsContact O-O 3.11Å; R469-F549 HydrophobicContact CB-CE1 3.9Å; R469-F549 HydrophobicContact CB-CZ 3.88Å; R469-F549 HydrophobicContact CG-CD2 4.48Å; R469-F549 HydrophobicContact CG-CE1 4.13Å; R469-F549 HydrophobicContact CG-CE2 3.98Å; R469-F549 HydrophobicContact CG-CZ 3.78Å
470	T	92.1	Very high	90.5	Very high	113 Å²	113	36.3 Å²	36.3	69%	0.693	19%	0.186	S	C	*	.	S	Bend	trans	-84.5	5.7	177.4	51.7	0	0	0	0	113.8
471	W	92.2	Very high	90.6	Very high	35 Å²	35	36.2 Å²	36.2	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-142.4	134	-175.4	54.5	-81.5	0	0	0	110.8	L449 R469 Y547 F549 K568 I569	L449-W471 HydrophobicContact CD1-CH2 4.34Å; L449-W471 HydrophobicContact CD1-CZ2 4.04Å; R469-W471 VanDerWaalsContact C-N 3.27Å; R469-W471 HydrophobicContact CG-CZ2 4.47Å; R469-W471 PolarHBondContact O-N 2.8Å; W471-Y547 VanDerWaalsContact C-CD2 3.44Å; W471-F549 HydrophobicContact CH2-CE2 4.14Å; W471-F549 HydrophobicContact CH2-CZ 4.02Å; W471-F549 HydrophobicContact CZ2-CE2 4.37Å; W471-F549 HydrophobicContact CZ2-CZ 4.19Å; W471-F549 HydrophobicContact CZ3-CZ 4.23Å; W471-K568 HydrophobicContact CD2-CD 4.15Å; W471-K568 HydrophobicContact CD2-CG 4.05Å; W471-K568 HydrophobicContact CE3-CD 4.11Å; W471-K568 HydrophobicContact CE3-CG 4.26Å; W471-K568 HydrophobicContact CH2-CB 3.9Å; W471-K568 HydrophobicContact CH2-CG 4.34Å; W471-K568 HydrophobicContact CZ2-CB 3.98Å; W471-K568 HydrophobicContact CZ2-CG 4.1Å; W471-K568 HydrophobicContact CZ3-CB 4.14Å; W471-K568 HydrophobicContact CZ3-CD 4.49Å; W471-K568 HydrophobicContact CZ3-CG 4.39Å; W471-I569 HydrophobicContact CH2-CB 4.49Å; W471-I569 HydrophobicContact CH2-CD1 4.07Å; W471-I569 HydrophobicContact CH2-CG1 4Å; W471-I569 HydrophobicContact CZ3-CD1 4.39Å
472	Y	91.2	Very high	90.9	Very high	110 Å²	110	32.1 Å²	32.1	43%	0.431	17%	0.169	S	C	.	.			trans	-67.2	152.3	176.3	-177.8	-109.4	0	0	0	112.2	P474 R476 V528 Y547	Y472-P474 HydrophobicContact CE1-CB 4.04Å; Y472-R476 PolarHBondContact OH-NH2 3.43Å; Y472-V528 HydrophobicContact CD2-CG1 3.7Å; Y472-V528 HydrophobicContact CE2-CB 4.04Å; Y472-V528 HydrophobicContact CE2-CG1 3.72Å; Y472-Y547 AromaticContact CD2-CD1 3.77Å; Y472-Y547 HydrophobicContact CD2-CD1 3.77Å; Y472-Y547 AromaticContact CD2-CE1 3.98Å; Y472-Y547 HydrophobicContact CD2-CE1 3.98Å; Y472-Y547 HydrophobicContact CG-CD1 4.34Å; Y472-Y547 HydrophobicContact CG-CE1 4.24Å
473	T	89.4	Confident	91.2	Very high	15 Å²	15	31 Å²	31	9%	0.092	16%	0.158	C	C	.	.			trans	-137.8	132.6	163.7	-167.8	0	0	0	0	112	Y475 R476 V528 F549 I569	T473-Y475 PolarHBondContact O-N 3.18Å; T473-Y475 WeakPolarHBondContact OG1-CB 3.25Å; T473-Y475 PolarHBondContact OG1-N 3.3Å; T473-R476 PolarHBondContact O-NH1 3.45Å; T473-V528 HydrophobicContact CG2-CG1 4.48Å; T473-V528 HydrophobicContact CG2-CG2 3.79Å; T473-F549 HydrophobicContact CG2-CD2 4.5Å; T473-F549 HydrophobicContact CG2-CE1 4.08Å; T473-F549 HydrophobicContact CG2-CE2 3.88Å; T473-F549 HydrophobicContact CG2-CZ 3.64Å; T473-I569 HydrophobicContact CG2-CD1 3.98Å
474	P	88	Confident	91.5	Very high	83 Å²	83	30.8 Å²	30.8	54%	0.539	16%	0.158	S	C	.	.			trans	-81.1	9.6	168.8	36.2	-36.4	0	0	0	112	R440 Y472	R440-P474 PolarHBondContact NH1-O 2.95Å; R440-P474 VanDerWaalsContact NH1-O 3.14Å; Y472-P474 HydrophobicContact CE1-CB 4.04Å
475	Y	88.4	Confident	91.8	Very high	24 Å²	24	33.2 Å²	33.2	9%	0.094	18%	0.183	C	C	.	.			trans	-70.7	133.7	173.3	-167.5	-106.1	0	0	0	109.7	Y447 T473 C478 L479 I569	Y447-Y475 HydrophobicContact CD2-CD2 4.37Å; Y447-Y475 AromaticContact CD2-CE2 3.57Å; Y447-Y475 HydrophobicContact CD2-CE2 3.57Å; Y447-Y475 AromaticContact CD2-CZ 3.89Å; Y447-Y475 HydrophobicContact CE2-CE2 4.12Å; Y447-Y475 HydrophobicContact CG-CE2 4.15Å; T473-Y475 PolarHBondContact O-N 3.18Å; T473-Y475 WeakPolarHBondContact OG1-CB 3.25Å; T473-Y475 PolarHBondContact OG1-N 3.3Å; Y475-C478 PolarHBondContact OH-N 3.29Å; Y475-C478 PolarHBondContact OH-O 3.04Å; Y475-L479 HydrophobicContact CE1-CB 4.24Å; Y475-I569 HydrophobicContact CD1-CD1 4.48Å
476	R	89	Confident	92	Very high	18 Å²	18	33.9 Å²	33.9	7%	0.068	18%	0.184	C	C	.	.			trans	-135.1	145	172.3	-60.5	-61.7	-176.7	-85.4	2.6	106.3	D437 Q441 Y472 T473 V526 D527	D437-R476 HydrophobicContact CB-CB 4.25Å; D437-R476 HydrophobicContact CB-CG 4.18Å; D437-R476 WeakPolarHBondContact OD1-CG 3.42Å; Q441-R476 HydrophobicContact CG-CB 4.35Å; Y472-R476 PolarHBondContact OH-NH2 3.43Å; T473-R476 PolarHBondContact O-NH1 3.45Å; R476-V526 WeakPolarHBondContact CD-O 3.46Å; R476-D527 IonicContact CZ-OD1 2.67Å; R476-D527 IonicContact NE-OD1 3.62Å; R476-D527 PolarHBondContact NE-OD1 3.39Å; R476-D527 IonicContact NH2-OD1 2.63Å; R476-D527 PolarHBondContact NH2-OD1 2.9Å
477	G	90	Very high	91.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.5	-155.1	-176.9	0	0	0	0	0	116.3	L479 N524 I525	G477-L479 PolarHBondContact O-N 2.79Å; G477-N524 VanDerWaalsContact C-OD1 3.3Å; G477-N524 WeakPolarHBondContact CA-OD1 3.43Å; G477-N524 PolarHBondContact O-OD1 2.96Å; G477-I525 PolarHBondContact N-O 3.39Å; G477-I525 PolarHBondContact O-N 3.11Å
478	C	91.1	Very high	91.8	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	95.5	-162.6	-63.7	0	0	0	0	114.3	Q441 D444 Y475 R522	Q441-C478 PolarHBondContact O-SG 3.05Å; D444-C478 HydrophobicContact CB-CB 3.81Å; Y475-C478 PolarHBondContact OH-N 3.29Å; Y475-C478 PolarHBondContact OH-O 3.04Å; C478-R522 VanDerWaalsContact SG-CZ 3.54Å; C478-R522 PolarHBondContact SG-NH2 3.49Å
479	L	93.7	Very high	91.9	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.3	178.2	-175.2	65.3	0	0	0	112.1	L449 Y475 G477 I481 R522 V523 I525 I569	L449-L479 HydrophobicContact CB-CD1 4.1Å; L449-L479 HydrophobicContact CB-CD2 3.79Å; L449-L479 HydrophobicContact CB-CG 4.22Å; L449-L479 HydrophobicContact CD2-CD2 4.11Å; Y475-L479 HydrophobicContact CE1-CB 4.24Å; G477-L479 PolarHBondContact O-N 2.79Å; L479-I481 HydrophobicContact CD2-CD1 4.26Å; L479-I481 HydrophobicContact CG-CD1 4.35Å; L479-R522 WeakPolarHBondContact O-CA 2.98Å; L479-V523 HydrophobicContact CB-CG2 4.17Å; L479-V523 PolarHBondContact N-O 3.16Å; L479-V523 PolarHBondContact O-N 3.13Å; L479-V523 VanDerWaalsContact O-O 3.11Å; L479-I525 HydrophobicContact CB-CD1 4.38Å; L479-I525 HydrophobicContact CB-CG1 4.29Å; L479-I525 HydrophobicContact CD2-CD1 3.48Å; L479-I525 VanDerWaalsContact CD2-CD1 3.48Å; L479-I525 HydrophobicContact CD2-CG1 4.08Å; L479-I569 HydrophobicContact CD1-CD1 4.42Å; L479-I569 HydrophobicContact CD1-CG1 4.02Å; L479-I569 HydrophobicContact CD1-CG2 4.43Å
480	W	95.1	Very high	91.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	144.8	171.7	-67.9	81.9	0	0	0	111.8	D444 Y447 C448 L449 L519 R522 T557 L572 H577 A580 K581 L584	D444-W480 PolarHBondContact OD1-NE1 3.36Å; Y447-W480 WeakPolarHBondContact O-CB 3.46Å; Y447-W480 VanDerWaalsContact O-CD1 3.27Å; Y447-W480 PolarHBondContact O-N 3.38Å; C448-W480 CarbonylContact C-O 3.46Å; C448-W480 WeakPolarHBondContact CA-O 3.39Å; C448-W480 HydrophobicContact CB-CB 3.94Å; C448-W480 PolarHBondContact SG-O 3.36Å; L449-W480 PolarHBondContact N-O 2.86Å; W480-L519 HydrophobicContact CB-CD1 4.23Å; W480-L519 HydrophobicContact CE3-CD2 4.13Å; W480-L519 HydrophobicContact CE3-CG 4.46Å; W480-R522 HydrophobicContact CD2-CB 4.2Å; W480-R522 HydrophobicContact CE3-CB 4.08Å; W480-R522 HydrophobicContact CH2-CB 4.46Å; W480-R522 HydrophobicContact CZ3-CB 4.2Å; W480-T557 HydrophobicContact CZ3-CG2 3.89Å; W480-L572 HydrophobicContact CB-CD1 3.92Å; W480-L572 HydrophobicContact CD2-CD1 4.11Å; W480-L572 HydrophobicContact CG-CD1 3.7Å; W480-H577 AromaticContact CE2-CD2 3.85Å; W480-H577 AromaticContact NE1-CD2 3.55Å; W480-H577 AromaticContact NE1-NE2 3.69Å; W480-A580 HydrophobicContact CE3-CB 4.09Å; W480-A580 VanDerWaalsContact CH2-C 3.48Å; W480-A580 HydrophobicContact CH2-CB 3.65Å; W480-A580 HydrophobicContact CZ2-CB 4.45Å; W480-A580 HydrophobicContact CZ3-CB 3.44Å; W480-A580 VanDerWaalsContact CZ3-CB 3.44Å; W480-K581 HydrophobicContact CH2-CB 4.43Å; W480-K581 HydrophobicContact CZ2-CB 4.25Å; W480-L584 HydrophobicContact CH2-CD1 3.7Å; W480-L584 HydrophobicContact CH2-CD2 3.79Å; W480-L584 HydrophobicContact CH2-CG 3.76Å; W480-L584 HydrophobicContact CZ2-CD1 4.16Å; W480-L584 HydrophobicContact CZ3-CD2 3.87Å; W480-L584 HydrophobicContact CZ3-CG 4.3Å
481	I	95.7	Very high	91.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	-176.6	-60.5	-56.8	0	0	0	110.6	L451 L459 V460 L479 L520 G521 V523	L451-I481 HydrophobicContact CD1-CD1 3.99Å; L451-I481 HydrophobicContact CD1-CG2 3.81Å; L459-I481 HydrophobicContact CD2-CD1 3.74Å; L459-I481 HydrophobicContact CD2-CG1 4.02Å; V460-I481 HydrophobicContact CG2-CB 3.58Å; V460-I481 HydrophobicContact CG2-CG1 4.03Å; V460-I481 HydrophobicContact CG2-CG2 3.59Å; L479-I481 HydrophobicContact CD2-CD1 4.26Å; L479-I481 HydrophobicContact CG-CD1 4.35Å; I481-L520 PolarHBondContact O-N 3.24Å; I481-G521 PolarHBondContact N-O 2.66Å; I481-G521 PolarHBondContact O-N 3.05Å; I481-V523 HydrophobicContact CD1-CG2 3.99Å; I481-V523 HydrophobicContact CG1-CG1 4.1Å; I481-V523 HydrophobicContact CG1-CG2 4Å
482	A	95.8	Very high	91.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.9	171.7	0	0	0	0	0	111.5	L449 S450 L451 C518 L519 I563	L449-A482 PolarHBondContact O-N 3.41Å; S450-A482 CarbonylContact C-O 3.6Å; S450-A482 WeakPolarHBondContact CA-O 3.09Å; L451-A482 PolarHBondContact N-O 3.05Å; A482-C518 CarbonylContact C-O 3.52Å; A482-C518 VanDerWaalsContact CA-O 3.26Å; A482-C518 WeakPolarHBondContact CA-O 3.37Å; A482-L519 HydrophobicContact CB-CD1 4.12Å; A482-I563 HydrophobicContact CB-CG2 3.66Å
483	S	95	Very high	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.9	165.7	55.6	0	0	0	0	111.2	L451 P515 T516 S517 C518	L451-S483 CarbonylContact O-C 3.51Å; L451-S483 WeakPolarHBondContact O-CA 3.5Å; S483-P515 WeakPolarHBondContact CB-O 3.42Å; S483-P515 PolarHBondContact OG-O 3.18Å; S483-T516 VanDerWaalsContact OG-C 3.29Å; S483-T516 WeakPolarHBondContact OG-CA 3.48Å; S483-S517 WeakPolarHBondContact O-CA 3.28Å; S483-S517 PolarHBondContact O-N 3.26Å; S483-S517 PolarHBondContact OG-N 3.24Å; S483-S517 VanDerWaalsContact OG-N 3.13Å; S483-C518 PolarHBondContact N-O 3.26Å; S483-C518 PolarHBondContact OG-N 3.34Å; S483-C518 PolarHBondContact OG-O 2.73Å
484	T	94.6	Very high	92	Very high	22 Å²	22	50.7 Å²	50.7	14%	0.135	27%	0.273	C	S	.	.			trans	-67.4	173.2	168.3	59.6	0	0	0	0	110.6	L451 H486 T516 S517	L451-T484 PolarHBondContact O-N 3.3Å; L451-T484 PolarHBondContact O-OG1 3.37Å; T484-H486 PolarHBondContact O-N 2.88Å; T484-H486 WeakPolarHBondContact OG1-CB 3.18Å; T484-H486 PolarHBondContact OG1-N 3.25Å; T484-T516 WeakPolarHBondContact O-CB 3.43Å; T484-S517 PolarHBondContact O-N 3.09Å
485	A	93.3	Very high	92.2	Very high	80 Å²	80	52 Å²	52	66%	0.661	27%	0.272	S	S	*	.	S	Bend	trans	-77.8	4.3	170.9	0	0	0	0	0	113.3	K487	A485-K487 PolarHBondContact O-N 3.38Å
486	H	92.3	Very high	92.3	Very high	91 Å²	91	51.6 Å²	51.6	42%	0.421	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-68	123.3	179	-169.3	-93.9	0	0	0	110.3	H452 T484 T488 T516	H452-H486 AromaticContact CE1-CD2 3.91Å; H452-H486 AromaticContact CE1-CG 3.88Å; H452-H486 VanDerWaalsContact ND1-CB 3.28Å; H452-H486 WeakPolarHBondContact ND1-CB 3.39Å; H452-H486 AromaticContact ND1-CD2 3.64Å; H452-H486 AromaticContact ND1-CG 3.26Å; H452-H486 VanDerWaalsContact ND1-CG 3.26Å; H452-H486 AromaticContact ND1-ND1 3.73Å; T484-H486 PolarHBondContact O-N 2.88Å; T484-H486 WeakPolarHBondContact OG1-CB 3.18Å; T484-H486 PolarHBondContact OG1-N 3.25Å; H486-T488 PolarHBondContact ND1-OG1 3.45Å; H486-T516 WeakPolarHBondContact O-CG2 3.32Å
487	K	88.3	Confident	92.3	Very high	174 Å²	174	53.3 Å²	53.3	76%	0.757	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-85.5	118	163.7	-64.8	-176.5	-179.4	-177.3	0	106.9	A485	A485-K487 PolarHBondContact O-N 3.38Å
488	T	89.7	Confident	92.3	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.123	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-95.6	141.1	175.7	-51.5	0	0	0	0	107.9	Q453 H486 E492 I493	Q453-T488 WeakPolarHBondContact O-CB 3.41Å; Q453-T488 WeakPolarHBondContact O-CG2 3.45Å; Q453-T488 PolarHBondContact O-OG1 2.85Å; H486-T488 PolarHBondContact ND1-OG1 3.45Å; T488-E492 HydrophobicContact CG2-CB 4.25Å; T488-E492 WeakPolarHBondContact CG2-OE2 3.42Å; T488-I493 HydrophobicContact CG2-CG1 4.38Å
489	D	92.4	Very high	92.2	Very high	108 Å²	108	62.7 Å²	62.7	58%	0.578	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-68.6	145.1	-172	-73.1	-56	0	0	0	112	E491 E492 I493	D489-E491 PolarHBondContact O-N 2.94Å; D489-E492 PolarHBondContact O-N 2.91Å; D489-I493 WeakPolarHBondContact O-CG1 3.42Å; D489-I493 PolarHBondContact O-N 3.17Å
490	P	90.5	Very high	91.9	Very high	91 Å²	91	63.9 Å²	63.9	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-64	-29.6	-173.3	26	-34.6	0	0	0	112.2	I493 T494	P490-I493 PolarHBondContact O-N 3.24Å; P490-T494 WeakPolarHBondContact O-CG2 2.92Å; P490-T494 PolarHBondContact O-N 3.08Å; P490-T494 PolarHBondContact O-OG1 3.28Å
491	E	92.9	Very high	91.6	Very high	153 Å²	153	66.6 Å²	66.6	72%	0.715	34%	0.343	S	S	*	.	H	α-helix	trans	-64.7	-50.2	176.9	-63	-179.9	-174.7	0	0	110.8	D489 I493 T494 E495	D489-E491 PolarHBondContact O-N 2.94Å; E491-I493 VanDerWaalsContact C-N 3.27Å; E491-I493 PolarHBondContact O-N 3.08Å; E491-T494 PolarHBondContact O-N 3.32Å; E491-T494 VanDerWaalsContact O-N 3.14Å; E491-T494 PolarHBondContact O-OG1 2.83Å; E491-E495 PolarHBondContact O-N 2.63Å
492	E	91.9	Very high	91.2	Very high	103 Å²	103	75.3 Å²	75.3	48%	0.481	38%	0.381	S	S	.	.	H	α-helix	trans	-56.4	-40.7	174	-63.4	-169.3	158.2	0	0	112.3	T488 D489 E495 I496	T488-E492 HydrophobicContact CG2-CB 4.25Å; T488-E492 WeakPolarHBondContact CG2-OE2 3.42Å; D489-E492 PolarHBondContact O-N 2.91Å; E492-E495 PolarHBondContact O-N 2.73Å; E492-I496 WeakPolarHBondContact O-CD1 3.5Å; E492-I496 VanDerWaalsContact O-CG1 3.28Å; E492-I496 WeakPolarHBondContact O-CG1 3.33Å; E492-I496 PolarHBondContact O-N 3.49Å
493	I	92.2	Very high	90.6	Very high	24 Å²	24	79.1 Å²	79.1	12%	0.123	41%	0.412	C	S	.	.	H	α-helix	trans	-61.8	-52.5	176.3	-66	171	0	0	0	109.8	P454 T488 D489 P490 E491 E495 I496 E497 Y514	P454-I493 HydrophobicContact CB-CG1 4.33Å; P454-I493 HydrophobicContact CG-CG1 4.37Å; T488-I493 HydrophobicContact CG2-CG1 4.38Å; D489-I493 WeakPolarHBondContact O-CG1 3.42Å; D489-I493 PolarHBondContact O-N 3.17Å; P490-I493 PolarHBondContact O-N 3.24Å; E491-I493 VanDerWaalsContact C-N 3.27Å; E491-I493 PolarHBondContact O-N 3.08Å; I493-E495 VanDerWaalsContact C-N 3.29Å; I493-E495 PolarHBondContact O-N 3.22Å; I493-I496 PolarHBondContact O-N 3.19Å; I493-I496 VanDerWaalsContact O-N 3.1Å; I493-E497 HydrophobicContact CG2-CG 4.35Å; I493-E497 WeakPolarHBondContact O-CG 3.03Å; I493-E497 PolarHBondContact O-N 3.21Å; I493-Y514 HydrophobicContact CD1-CD2 4.37Å; I493-Y514 HydrophobicContact CG2-CD2 3.8Å; I493-Y514 HydrophobicContact CG2-CE2 3.38Å
494	T	91.2	Very high	90	Very high	68 Å²	68	82.1 Å²	82.1	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-32.4	179.1	60.6	0	0	0	0	113	P490 E491 N498	P490-T494 WeakPolarHBondContact O-CG2 2.92Å; P490-T494 PolarHBondContact O-N 3.08Å; P490-T494 PolarHBondContact O-OG1 3.28Å; E491-T494 PolarHBondContact O-N 3.32Å; E491-T494 VanDerWaalsContact O-N 3.14Å; E491-T494 PolarHBondContact O-OG1 2.83Å; T494-N498 VanDerWaalsContact O-CB 3.26Å; T494-N498 WeakPolarHBondContact O-CB 3.2Å; T494-N498 VanDerWaalsContact O-CG 3.28Å; T494-N498 PolarHBondContact O-N 3.12Å; T494-N498 PolarHBondContact O-ND2 2.83Å
495	E	92.6	Very high	89.3	Confident	110 Å²	110	82.5 Å²	82.5	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-45.8	171.3	-90.4	-157.7	-151.9	0	0	112	E491 E492 I493 N498 K499	E491-E495 PolarHBondContact O-N 2.63Å; E492-E495 PolarHBondContact O-N 2.73Å; I493-E495 VanDerWaalsContact C-N 3.29Å; I493-E495 PolarHBondContact O-N 3.22Å; E495-N498 PolarHBondContact O-N 2.99Å; E495-K499 WeakPolarHBondContact O-CD 3.5Å; E495-K499 WeakPolarHBondContact O-CG 3.36Å; E495-K499 PolarHBondContact O-N 2.81Å; E495-K499 WeakPolarHBondContact OE2-CE 3.43Å; E495-K499 IonicContact OE2-NZ 3.27Å; E495-K499 PolarHBondContact OE2-NZ 2.79Å
496	I	90.2	Very high	88.9	Confident	16 Å²	16	81.9 Å²	81.9	8%	0.082	44%	0.435	C	S	.	.	H	α-helix	trans	-69.3	-42	-179.6	-67.5	164.5	0	0	0	110.4	P454 W455 L458 E492 I493 N498 K499 Y500	P454-I496 HydrophobicContact CG-CB 4.1Å; P454-I496 HydrophobicContact CG-CD1 3.54Å; P454-I496 HydrophobicContact CG-CG1 4.42Å; P454-I496 HydrophobicContact CG-CG2 3.95Å; W455-I496 HydrophobicContact CH2-CD1 4.11Å; W455-I496 HydrophobicContact CH2-CG1 4.3Å; W455-I496 HydrophobicContact CH2-CG2 4.1Å; W455-I496 HydrophobicContact CZ2-CD1 3.67Å; W455-I496 HydrophobicContact CZ2-CG1 4.3Å; W455-I496 HydrophobicContact CZ3-CG2 4.05Å; L458-I496 HydrophobicContact CD1-CG2 3.63Å; E492-I496 WeakPolarHBondContact O-CD1 3.5Å; E492-I496 VanDerWaalsContact O-CG1 3.28Å; E492-I496 WeakPolarHBondContact O-CG1 3.33Å; E492-I496 PolarHBondContact O-N 3.49Å; I493-I496 PolarHBondContact O-N 3.19Å; I493-I496 VanDerWaalsContact O-N 3.1Å; I496-N498 PolarHBondContact O-N 3.44Å; I496-K499 PolarHBondContact O-N 2.92Å; I496-Y500 HydrophobicContact CG2-CD2 3.94Å; I496-Y500 HydrophobicContact CG2-CE2 3.83Å; I496-Y500 WeakPolarHBondContact O-CD2 3.24Å; I496-Y500 PolarHBondContact O-N 3.31Å; I496-Y500 VanDerWaalsContact O-N 3.12Å
497	E	90.5	Very high	88.3	Confident	53 Å²	53	85.9 Å²	85.9	25%	0.248	45%	0.451	C	S	.	.	H	α-helix	trans	-55.8	-49.4	170.6	-68.9	-173.8	161.3	0	0	111.3	I493 K499 Y500 L501 M510	I493-E497 HydrophobicContact CG2-CG 4.35Å; I493-E497 WeakPolarHBondContact O-CG 3.03Å; I493-E497 PolarHBondContact O-N 3.21Å; E497-K499 VanDerWaalsContact C-N 3.27Å; E497-K499 PolarHBondContact O-N 3.35Å; E497-Y500 PolarHBondContact O-N 3.2Å; E497-L501 WeakPolarHBondContact O-CB 3.37Å; E497-L501 VanDerWaalsContact O-CG 3.25Å; E497-L501 WeakPolarHBondContact O-CG 3.04Å; E497-L501 PolarHBondContact O-N 3.47Å; E497-M510 HydrophobicContact CB-CE 3.9Å; E497-M510 HydrophobicContact CG-CE 3.67Å
498	N	90.2	Very high	88	Confident	83 Å²	83	82 Å²	82	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-29	178.9	-80	-55.1	0	0	0	113.3	T494 E495 I496 K502	T494-N498 VanDerWaalsContact O-CB 3.26Å; T494-N498 WeakPolarHBondContact O-CB 3.2Å; T494-N498 VanDerWaalsContact O-CG 3.28Å; T494-N498 PolarHBondContact O-N 3.12Å; T494-N498 PolarHBondContact O-ND2 2.83Å; E495-N498 PolarHBondContact O-N 2.99Å; I496-N498 PolarHBondContact O-N 3.44Å; N498-K502 WeakPolarHBondContact O-CB 3.17Å; N498-K502 WeakPolarHBondContact O-CD 3.34Å; N498-K502 WeakPolarHBondContact O-CG 3.46Å; N498-K502 PolarHBondContact O-N 2.85Å
499	K	88.8	Confident	87.7	Confident	117 Å²	117	84.9 Å²	84.9	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-68.5	-45.2	173.6	-71.4	157.4	-163.5	168.8	0	110.9	E495 I496 E497 K502 A503	E495-K499 WeakPolarHBondContact O-CD 3.5Å; E495-K499 WeakPolarHBondContact O-CG 3.36Å; E495-K499 PolarHBondContact O-N 2.81Å; E495-K499 WeakPolarHBondContact OE2-CE 3.43Å; E495-K499 IonicContact OE2-NZ 3.27Å; E495-K499 PolarHBondContact OE2-NZ 2.79Å; I496-K499 PolarHBondContact O-N 2.92Å; E497-K499 VanDerWaalsContact C-N 3.27Å; E497-K499 PolarHBondContact O-N 3.35Å; K499-K502 PolarHBondContact O-N 3.1Å; K499-A503 PolarHBondContact O-N 3.01Å
500	Y	86.6	Confident	87.3	Confident	27 Å²	27	80.4 Å²	80.4	11%	0.106	44%	0.436	C	S	.	.	H	α-helix	trans	-73	-36.3	177.1	-76.1	-71.5	0	0	0	114	W455 L458 I463 I496 E497 K502 A503 G504 V505	W455-Y500 HydrophobicContact CZ3-CE2 4.05Å; L458-Y500 HydrophobicContact CD1-CD2 4.23Å; L458-Y500 HydrophobicContact CD1-CE2 3.92Å; I463-Y500 HydrophobicContact CG2-CD1 3.49Å; I463-Y500 VanDerWaalsContact CG2-CD1 3.49Å; I463-Y500 HydrophobicContact CG2-CD2 4.19Å; I463-Y500 HydrophobicContact CG2-CE1 3.87Å; I463-Y500 HydrophobicContact CG2-CG 3.68Å; I463-Y500 WeakPolarHBondContact O-CE1 3.32Å; I496-Y500 HydrophobicContact CG2-CD2 3.94Å; I496-Y500 HydrophobicContact CG2-CE2 3.83Å; I496-Y500 WeakPolarHBondContact O-CD2 3.24Å; I496-Y500 PolarHBondContact O-N 3.31Å; I496-Y500 VanDerWaalsContact O-N 3.12Å; E497-Y500 PolarHBondContact O-N 3.2Å; Y500-K502 VanDerWaalsContact C-N 3.3Å; Y500-K502 PolarHBondContact O-N 2.98Å; Y500-A503 WeakPolarHBondContact O-CB 3.45Å; Y500-A503 PolarHBondContact O-N 2.79Å; Y500-A503 VanDerWaalsContact O-N 3.08Å; Y500-G504 PolarHBondContact O-N 3.39Å; Y500-V505 HydrophobicContact CD1-CG2 4.32Å; Y500-V505 WeakPolarHBondContact O-CB 3.44Å; Y500-V505 WeakPolarHBondContact O-CG2 3.43Å; Y500-V505 PolarHBondContact O-N 3.34Å
501	L	88.4	Confident	87	Confident	57 Å²	57	76.2 Å²	76.2	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-38.1	173.4	-70.9	167.5	0	0	0	111.6	E497 A503 G504 K507 M510	E497-L501 WeakPolarHBondContact O-CB 3.37Å; E497-L501 VanDerWaalsContact O-CG 3.25Å; E497-L501 WeakPolarHBondContact O-CG 3.04Å; E497-L501 PolarHBondContact O-N 3.47Å; L501-A503 VanDerWaalsContact C-N 3.31Å; L501-A503 PolarHBondContact O-N 3.39Å; L501-G504 PolarHBondContact O-N 2.92Å; L501-K507 HydrophobicContact CD2-CB 4.01Å; L501-K507 HydrophobicContact CD2-CG 4.42Å; L501-M510 HydrophobicContact CD2-CG 4.31Å
502	K	87.6	Confident	86.7	Confident	185 Å²	185	75.9 Å²	75.9	80%	0.804	42%	0.417	S	S	*	.	H	α-helix	trans	-68.3	-27.1	172.9	-75.4	172.2	-177.1	179.6	0	113.4	N498 K499 Y500 G504	N498-K502 WeakPolarHBondContact O-CB 3.17Å; N498-K502 WeakPolarHBondContact O-CD 3.34Å; N498-K502 WeakPolarHBondContact O-CG 3.46Å; N498-K502 PolarHBondContact O-N 2.85Å; K499-K502 PolarHBondContact O-N 3.1Å; Y500-K502 VanDerWaalsContact C-N 3.3Å; Y500-K502 PolarHBondContact O-N 2.98Å; K502-G504 PolarHBondContact O-N 2.86Å
503	A	84.5	Confident	86.5	Confident	79 Å²	79	74.2 Å²	74.2	65%	0.653	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	1.9	173.5	0	0	0	0	0	113.6	K499 Y500 L501	K499-A503 PolarHBondContact O-N 3.01Å; Y500-A503 WeakPolarHBondContact O-CB 3.45Å; Y500-A503 PolarHBondContact O-N 2.79Å; Y500-A503 VanDerWaalsContact O-N 3.08Å; L501-A503 VanDerWaalsContact C-N 3.31Å; L501-A503 PolarHBondContact O-N 3.39Å
504	G	80.9	Confident	86.6	Confident	63 Å²	63	75 Å²	75	65%	0.649	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	5.3	175.3	0	0	0	0	0	115.5	Y500 L501 K502	Y500-G504 PolarHBondContact O-N 3.39Å; L501-G504 PolarHBondContact O-N 2.92Å; K502-G504 PolarHBondContact O-N 2.86Å
505	V	81.4	Confident	86.6	Confident	31 Å²	31	73.3 Å²	73.3	19%	0.188	41%	0.409	C	S	.	.			trans	-65.9	126.6	175.2	-179	0	0	0	0	109.5	I463 Y500 M510	I463-V505 HydrophobicContact CD1-CG1 4.38Å; I463-V505 HydrophobicContact CG1-CG1 4.18Å; I463-V505 HydrophobicContact CG2-CG1 4.38Å; I463-V505 HydrophobicContact CG2-CG2 4.22Å; Y500-V505 HydrophobicContact CD1-CG2 4.32Å; Y500-V505 WeakPolarHBondContact O-CB 3.44Å; Y500-V505 WeakPolarHBondContact O-CG2 3.43Å; Y500-V505 PolarHBondContact O-N 3.34Å; V505-M510 HydrophobicContact CG1-SD 3.9Å
506	P	83.8	Confident	86.7	Confident	66 Å²	66	70.2 Å²	70.2	43%	0.429	40%	0.398	S	S	.	.			trans	-72.5	142.3	-178.4	30.7	-35.8	0	0	0	111.3	S508 D509	P506-S508 PolarHBondContact O-N 3.42Å; P506-D509 HydrophobicContact CG-CB 4.35Å; P506-D509 WeakPolarHBondContact CG-OD2 3.28Å; P506-D509 PolarHBondContact O-N 2.86Å
507	K	80.8	Confident	86.8	Confident	175 Å²	175	71.8 Å²	71.8	76%	0.761	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.3	-176.2	-169.8	168.1	-179.6	173.2	0	114.1	L501 D509	L501-K507 HydrophobicContact CD2-CB 4.01Å; L501-K507 HydrophobicContact CD2-CG 4.42Å; K507-D509 VanDerWaalsContact C-N 3.33Å
508	S	81.5	Confident	87	Confident	92 Å²	92	70.3 Å²	70.3	64%	0.643	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-35.6	171.7	44.3	0	0	0	0	113.4	P506	P506-S508 PolarHBondContact O-N 3.42Å
509	D	82.1	Confident	87.2	Confident	81 Å²	81	66.4 Å²	66.4	43%	0.433	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-19.6	-164.9	-59.2	12.1	0	0	0	110.8	R461 P506 K507	R461-D509 PolarHBondContact NH1-O 3.14Å; P506-D509 HydrophobicContact CG-CB 4.35Å; P506-D509 WeakPolarHBondContact CG-OD2 3.28Å; P506-D509 PolarHBondContact O-N 2.86Å; K507-D509 VanDerWaalsContact C-N 3.33Å
510	M	84.1	Confident	87.4	Confident	15 Å²	15	60.9 Å²	60.9	7%	0.074	36%	0.361	C	S	.	.	S	Bend	trans	-56.7	138.2	173.2	-61.7	-59.2	-67	0	0	111.6	L458 R461 I463 E497 L501 V505 T512	L458-M510 HydrophobicContact CD2-CE 4.13Å; R461-M510 PolarHBondContact NH1-O 2.71Å; I463-M510 HydrophobicContact CD1-SD 3.81Å; E497-M510 HydrophobicContact CB-CE 3.9Å; E497-M510 HydrophobicContact CG-CE 3.67Å; L501-M510 HydrophobicContact CD2-CG 4.31Å; V505-M510 HydrophobicContact CG1-SD 3.9Å; M510-T512 PolarHBondContact O-N 2.94Å
511	P	85.7	Confident	87.8	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.019	36%	0.356	C	S	.	.			trans	-74.4	115.6	-177.5	29.9	-34.7	0	0	0	111.7	L458 R461 S513 Y514	L458-P511 HydrophobicContact CD2-CG 4.45Å; R461-P511 HydrophobicContact CG-CB 4.37Å; P511-S513 PolarHBondContact O-N 3.29Å; P511-Y514 HydrophobicContact CG-CD1 4.36Å; P511-Y514 HydrophobicContact CG-CE1 3.54Å; P511-Y514 HydrophobicContact CG-CE2 4.34Å
512	T	85.3	Confident	88	Confident	145 Å²	145	59.3 Å²	59.3	89%	0.89	35%	0.351	S	S	*	.	S	Bend	trans	-61.7	-9.2	-179.1	-27.4	0	0	0	0	114.7	M510	M510-T512 PolarHBondContact O-N 2.94Å
513	S	89.4	Confident	88.3	Confident	68 Å²	68	50.6 Å²	50.6	48%	0.476	31%	0.313	S	S	.	.			trans	-157	146.3	175.8	56.6	0	0	0	0	112.2	P511 P515	P511-S513 PolarHBondContact O-N 3.29Å; S513-P515 VanDerWaalsContact C-CD 3.41Å; S513-P515 WeakPolarHBondContact O-CD 3.2Å
514	Y	92.5	Very high	88.6	Confident	40 Å²	40	47.8 Å²	47.8	16%	0.157	29%	0.287	C	S	.	.			trans	-113.9	72.9	-179.6	-66.8	-81.8	0	0	0	111.5	P454 I493 P511	P454-Y514 HydrophobicContact CB-CD1 3.73Å; P454-Y514 HydrophobicContact CB-CE1 3.22Å; I493-Y514 HydrophobicContact CD1-CD2 4.37Å; I493-Y514 HydrophobicContact CG2-CD2 3.8Å; I493-Y514 HydrophobicContact CG2-CE2 3.38Å; P511-Y514 HydrophobicContact CG-CD1 4.36Å; P511-Y514 HydrophobicContact CG-CE1 3.54Å; P511-Y514 HydrophobicContact CG-CE2 4.34Å
515	P	92.7	Very high	89.1	Confident	34 Å²	34	44.8 Å²	44.8	22%	0.221	26%	0.256	C	S	.	.			trans	-69.1	142	-179.5	28.1	-33.9	0	0	0	111.9	Q453 S483 S513 L520 K560	Q453-P515 PolarHBondContact NE2-O 3.38Å; S483-P515 WeakPolarHBondContact CB-O 3.42Å; S483-P515 PolarHBondContact OG-O 3.18Å; S513-P515 VanDerWaalsContact C-CD 3.41Å; S513-P515 WeakPolarHBondContact O-CD 3.2Å; P515-L520 HydrophobicContact CG-CD2 3.94Å; P515-K560 HydrophobicContact CG-CD 3.8Å
516	T	93.5	Very high	89.5	Confident	45 Å²	45	46.7 Å²	46.7	28%	0.276	27%	0.267	S	S	.	.	S	Bend	trans	-99.1	153.7	177.1	56.7	0	0	0	0	111.6	S483 T484 H486 C518	S483-T516 VanDerWaalsContact OG-C 3.29Å; S483-T516 WeakPolarHBondContact OG-CA 3.48Å; T484-T516 WeakPolarHBondContact O-CB 3.43Å; H486-T516 WeakPolarHBondContact O-CG2 3.32Å; T516-C518 VanDerWaalsContact C-N 3.27Å; T516-C518 PolarHBondContact O-N 2.86Å
517	S	93.7	Very high	89.8	Confident	48 Å²	48	46 Å²	46	34%	0.336	26%	0.26	S	S	.	.	S	Bend	trans	53.9	36.9	-179.2	59.8	0	0	0	0	114.9	S483 T484 I563	S483-S517 WeakPolarHBondContact O-CA 3.28Å; S483-S517 PolarHBondContact O-N 3.26Å; S483-S517 PolarHBondContact OG-N 3.24Å; S483-S517 VanDerWaalsContact OG-N 3.13Å; T484-S517 PolarHBondContact O-N 3.09Å; S517-I563 CarbonylContact C-O 3.53Å; S517-I563 PolarHBondContact O-N 3.49Å
518	C	93.9	Very high	90.3	Very high	23 Å²	23	38 Å²	38	16%	0.155	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.4	177.2	-66.4	0	0	0	0	111.2	A482 S483 T516 L520 K560 F561	A482-C518 CarbonylContact C-O 3.52Å; A482-C518 VanDerWaalsContact CA-O 3.26Å; A482-C518 WeakPolarHBondContact CA-O 3.37Å; S483-C518 PolarHBondContact N-O 3.26Å; S483-C518 PolarHBondContact OG-N 3.34Å; S483-C518 PolarHBondContact OG-O 2.73Å; T516-C518 VanDerWaalsContact C-N 3.27Å; T516-C518 PolarHBondContact O-N 2.86Å; C518-L520 HydrophobicContact CB-CD2 4.09Å; C518-K560 HydrophobicContact CB-CB 4.25Å; C518-F561 CarbonylContact C-O 3.51Å; C518-F561 WeakPolarHBondContact CA-O 3.43Å
519	L	94.6	Very high	90.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.1	160.6	-163.3	70.3	0	0	0	107.8	W480 A482 K560 F561 I563 L572 A580	W480-L519 HydrophobicContact CB-CD1 4.23Å; W480-L519 HydrophobicContact CE3-CD2 4.13Å; W480-L519 HydrophobicContact CE3-CG 4.46Å; A482-L519 HydrophobicContact CB-CD1 4.12Å; L519-K560 WeakPolarHBondContact O-CA 3.35Å; L519-F561 HydrophobicContact CB-CB 4.09Å; L519-F561 HydrophobicContact CD2-CD2 4.29Å; L519-F561 PolarHBondContact N-O 3Å; L519-F561 PolarHBondContact O-N 3.3Å; L519-I563 HydrophobicContact CB-CG2 4.21Å; L519-L572 HydrophobicContact CD1-CD1 4.49Å; L519-L572 HydrophobicContact CD1-CD2 4.23Å; L519-L572 HydrophobicContact CD2-CD1 4.39Å; L519-A580 HydrophobicContact CD2-CB 3.58Å
520	L	93.3	Very high	91.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-34.3	-172.4	-57	-176.9	0	0	0	112.8	A456 V460 I481 P515 C518 E556 T557 K560	A456-L520 HydrophobicContact CB-CD1 3.66Å; V460-L520 HydrophobicContact CB-CB 4.5Å; V460-L520 HydrophobicContact CG1-CB 4.35Å; V460-L520 HydrophobicContact CG2-CB 4.09Å; I481-L520 PolarHBondContact O-N 3.24Å; P515-L520 HydrophobicContact CG-CD2 3.94Å; C518-L520 HydrophobicContact CB-CD2 4.09Å; L520-E556 WeakPolarHBondContact O-CA 3.44Å; L520-E556 WeakPolarHBondContact O-CG 3.24Å; L520-T557 PolarHBondContact O-N 3.44Å; L520-T557 PolarHBondContact O-OG1 3.32Å; L520-T557 VanDerWaalsContact O-OG1 3.05Å; L520-K560 HydrophobicContact CD2-CD 4.15Å
521	G	93.6	Very high	91.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-167.5	-169.1	0	0	0	0	0	114.3	I481 R555	I481-G521 PolarHBondContact N-O 2.66Å; I481-G521 PolarHBondContact O-N 3.05Å; G521-R555 CarbonylContact C-O 3.48Å; G521-R555 WeakPolarHBondContact CA-O 3.44Å
522	R	93.1	Very high	91.5	Very high	52 Å²	52	39.9 Å²	39.9	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.8	175.5	171.2	179.7	156.6	-146	-9.5	109.8	C478 L479 W480 R555 L584	C478-R522 VanDerWaalsContact SG-CZ 3.54Å; C478-R522 PolarHBondContact SG-NH2 3.49Å; L479-R522 WeakPolarHBondContact O-CA 2.98Å; W480-R522 HydrophobicContact CD2-CB 4.2Å; W480-R522 HydrophobicContact CE3-CB 4.08Å; W480-R522 HydrophobicContact CH2-CB 4.46Å; W480-R522 HydrophobicContact CZ3-CB 4.2Å; R522-R555 PolarHBondContact N-O 2.8Å; R522-R555 PolarHBondContact O-N 2.8Å; R522-L584 HydrophobicContact CB-CD2 4.01Å
523	V	93.3	Very high	91.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	172.8	165	-59.3	0	0	0	0	109.5	L459 L479 I481 C551 P554	L459-V523 HydrophobicContact CD1-CG1 4.25Å; L459-V523 HydrophobicContact CD2-CG1 4.4Å; L459-V523 HydrophobicContact CG-CG1 3.99Å; L479-V523 HydrophobicContact CB-CG2 4.17Å; L479-V523 PolarHBondContact N-O 3.16Å; L479-V523 PolarHBondContact O-N 3.13Å; L479-V523 VanDerWaalsContact O-O 3.11Å; I481-V523 HydrophobicContact CD1-CG2 3.99Å; I481-V523 HydrophobicContact CG1-CG1 4.1Å; I481-V523 HydrophobicContact CG1-CG2 4Å; V523-C551 HydrophobicContact CB-CB 4.15Å; V523-C551 HydrophobicContact CG2-CB 4.17Å; V523-P554 HydrophobicContact CG1-CB 4.3Å
524	N	91.7	Very high	91.6	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.112	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.7	172.8	-170.9	14.8	0	0	0	109	G477 V526 C551 A552 D553	G477-N524 VanDerWaalsContact C-OD1 3.3Å; G477-N524 WeakPolarHBondContact CA-OD1 3.43Å; G477-N524 PolarHBondContact O-OD1 2.96Å; N524-V526 PolarHBondContact O-N 3.35Å; N524-C551 CarbonylContact O-C 3.54Å; N524-C551 VanDerWaalsContact O-CA 3.32Å; N524-C551 WeakPolarHBondContact O-CA 3.27Å; N524-A552 PolarHBondContact N-O 3.44Å; N524-A552 PolarHBondContact O-N 3.23Å; N524-D553 HydrophobicContact CB-CB 4.14Å; N524-D553 PolarHBondContact ND2-OD2 3.35Å
525	I	91.5	Very high	91.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.3	172.7	-69.1	-174.8	0	0	0	108.2	G477 L479 V528 F549	G477-I525 PolarHBondContact N-O 3.39Å; G477-I525 PolarHBondContact O-N 3.11Å; L479-I525 HydrophobicContact CB-CD1 4.38Å; L479-I525 HydrophobicContact CB-CG1 4.29Å; L479-I525 HydrophobicContact CD2-CD1 3.48Å; L479-I525 VanDerWaalsContact CD2-CD1 3.48Å; L479-I525 HydrophobicContact CD2-CG1 4.08Å; I525-V528 HydrophobicContact CG2-CG2 3.78Å; I525-F549 HydrophobicContact CD1-CB 4.44Å; I525-F549 HydrophobicContact CD1-CD2 3.92Å; I525-F549 HydrophobicContact CD1-CG 4.46Å
526	V	89.6	Confident	91.1	Very high	70 Å²	70	45.2 Å²	45.2	42%	0.424	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-45.9	176.1	-178.5	0	0	0	0	110.1	R476 N524 I550 A552	R476-V526 WeakPolarHBondContact CD-O 3.46Å; N524-V526 PolarHBondContact O-N 3.35Å; V526-I550 HydrophobicContact CB-CG2 4.49Å; V526-I550 PolarHBondContact N-O 3.31Å; V526-A552 HydrophobicContact CG2-CB 3.56Å
527	D	89.4	Confident	90.7	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.283	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.4	177.3	-156.2	10.3	0	0	0	113.4	R476 I529 I550	R476-D527 IonicContact CZ-OD1 2.67Å; R476-D527 IonicContact NE-OD1 3.62Å; R476-D527 PolarHBondContact NE-OD1 3.39Å; R476-D527 IonicContact NH2-OD1 2.63Å; R476-D527 PolarHBondContact NH2-OD1 2.9Å; D527-I529 HydrophobicContact CB-CD1 4.33Å; D527-I529 HydrophobicContact CB-CG1 4.09Å; D527-I529 WeakPolarHBondContact OD2-CD1 3.2Å; D527-I529 VanDerWaalsContact OD2-CG1 3.28Å; D527-I529 WeakPolarHBondContact OD2-CG1 3.32Å; D527-I550 PolarHBondContact O-N 2.84Å
528	V	91.3	Very high	90	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	106.9	174.5	175.7	0	0	0	0	107.8	Y472 T473 I525 V548 F549	Y472-V528 HydrophobicContact CD2-CG1 3.7Å; Y472-V528 HydrophobicContact CE2-CB 4.04Å; Y472-V528 HydrophobicContact CE2-CG1 3.72Å; T473-V528 HydrophobicContact CG2-CG1 4.48Å; T473-V528 HydrophobicContact CG2-CG2 3.79Å; I525-V528 HydrophobicContact CG2-CG2 3.78Å; V528-V548 WeakPolarHBondContact CA-O 3.39Å; V528-F549 HydrophobicContact CB-CD1 4.29Å; V528-F549 HydrophobicContact CG1-CD1 3.57Å; V528-F549 HydrophobicContact CG1-CE1 3.68Å; V528-F549 HydrophobicContact CG2-CB 4.4Å; V528-F549 HydrophobicContact CG2-CD1 3.87Å; V528-F549 HydrophobicContact CG2-CE1 4.36Å; V528-F549 HydrophobicContact CG2-CG 4.09Å
529	I	90.8	Very high	89.1	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.5	-164.4	-59.7	-166.4	0	0	0	109.5	D527 E533 K537 Y547 V548 I550	D527-I529 HydrophobicContact CB-CD1 4.33Å; D527-I529 HydrophobicContact CB-CG1 4.09Å; D527-I529 WeakPolarHBondContact OD2-CD1 3.2Å; D527-I529 VanDerWaalsContact OD2-CG1 3.28Å; D527-I529 WeakPolarHBondContact OD2-CG1 3.32Å; I529-E533 HydrophobicContact CG2-CB 3.32Å; I529-E533 HydrophobicContact CG2-CG 4.34Å; I529-K537 HydrophobicContact CD1-CD 3.8Å; I529-Y547 CarbonylContact O-C 3.51Å; I529-Y547 VanDerWaalsContact O-CA 3.29Å; I529-Y547 WeakPolarHBondContact O-CA 3.26Å; I529-V548 PolarHBondContact N-O 2.98Å; I529-V548 PolarHBondContact O-N 3.15Å; I529-I550 HydrophobicContact CD1-CD1 3.48Å; I529-I550 VanDerWaalsContact CD1-CD1 3.48Å; I529-I550 HydrophobicContact CD1-CG1 4.43Å; I529-I550 HydrophobicContact CG1-CD1 4.18Å
530	T	92.5	Very high	88.1	Confident	47 Å²	47	61.8 Å²	61.8	29%	0.288	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	161.5	173	65.6	0	0	0	0	112.1	E532 E533 Y534 Y547	T530-E532 PolarHBondContact O-N 3.09Å; T530-E532 VanDerWaalsContact O-N 3.16Å; T530-E533 VanDerWaalsContact CB-OE2 3.27Å; T530-E533 WeakPolarHBondContact CB-OE2 3.42Å; T530-E533 VanDerWaalsContact CG2-OE2 3.32Å; T530-E533 WeakPolarHBondContact CG2-OE2 3.48Å; T530-E533 PolarHBondContact N-OE2 2.85Å; T530-E533 WeakPolarHBondContact OG1-CG 3.28Å; T530-E533 PolarHBondContact OG1-N 3.05Å; T530-E533 PolarHBondContact OG1-OE2 2.86Å; T530-Y534 VanDerWaalsContact O-CB 3.22Å; T530-Y534 WeakPolarHBondContact O-CB 3.07Å; T530-Y534 PolarHBondContact O-N 3.07Å; T530-Y547 HydrophobicContact CG2-CD1 4.35Å; T530-Y547 HydrophobicContact CG2-CE1 4.17Å
531	Q	88.6	Confident	87	Confident	25 Å²	25	62.9 Å²	62.9	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-23.4	175.5	-178.9	59.5	83.1	0	0	113.9	R535 S543 S545 S546	Q531-R535 WeakPolarHBondContact O-CD 3.28Å; Q531-R535 WeakPolarHBondContact O-CG 3.37Å; Q531-S543 PolarHBondContact NE2-O 2.8Å; Q531-S543 VanDerWaalsContact NE2-O 3.11Å; Q531-S543 PolarHBondContact OE1-O 3.39Å; Q531-S545 PolarHBondContact OE1-O 3.05Å; Q531-S545 VanDerWaalsContact OE1-O 3.06Å; Q531-S546 PolarHBondContact N-O 3.33Å
532	E	88.1	Confident	86	Confident	153 Å²	153	69.5 Å²	69.5	72%	0.715	35%	0.349	S	S	*	.	H	α-helix	trans	-79.4	-61.5	-179	-67.5	171.1	-175.9	0	0	109.8	T530 Y534 R535 E536	T530-E532 PolarHBondContact O-N 3.09Å; T530-E532 VanDerWaalsContact O-N 3.16Å; E532-Y534 PolarHBondContact O-N 2.92Å; E532-Y534 VanDerWaalsContact O-N 3.15Å; E532-R535 WeakPolarHBondContact O-CB 3.4Å; E532-R535 PolarHBondContact O-N 3.33Å; E532-E536 PolarHBondContact O-N 3.36Å
533	E	88.7	Confident	85.2	Confident	82 Å²	82	67.5 Å²	67.5	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-54.3	-33.4	173.8	-63	163.4	116.3	0	0	113	I529 T530 E536 K537	I529-E533 HydrophobicContact CG2-CB 3.32Å; I529-E533 HydrophobicContact CG2-CG 4.34Å; T530-E533 VanDerWaalsContact CB-OE2 3.27Å; T530-E533 WeakPolarHBondContact CB-OE2 3.42Å; T530-E533 VanDerWaalsContact CG2-OE2 3.32Å; T530-E533 WeakPolarHBondContact CG2-OE2 3.48Å; T530-E533 PolarHBondContact N-OE2 2.85Å; T530-E533 WeakPolarHBondContact OG1-CG 3.28Å; T530-E533 PolarHBondContact OG1-N 3.05Å; T530-E533 PolarHBondContact OG1-OE2 2.86Å; E533-E536 PolarHBondContact O-N 2.91Å; E533-K537 WeakPolarHBondContact O-CG 3.14Å; E533-K537 PolarHBondContact O-N 2.95Å
534	Y	87.3	Confident	84.6	Confident	3 Å²	3	75.9 Å²	75.9	1%	0.012	38%	0.382	C	S	.	.	H	α-helix	trans	-65.2	-38.3	175.5	171	-103.5	0	0	0	112.1	E466 T530 E532 E536 K537 Q538 G541 L542 S543 V548	E466-Y534 HydrophobicContact CG-CE2 3.92Å; E466-Y534 WeakPolarHBondContact OE2-CE2 3.38Å; E466-Y534 PolarHBondContact OE2-OH 3.47Å; T530-Y534 VanDerWaalsContact O-CB 3.22Å; T530-Y534 WeakPolarHBondContact O-CB 3.07Å; T530-Y534 PolarHBondContact O-N 3.07Å; E532-Y534 PolarHBondContact O-N 2.92Å; E532-Y534 VanDerWaalsContact O-N 3.15Å; Y534-E536 VanDerWaalsContact C-N 3.35Å; Y534-K537 PolarHBondContact O-N 3.4Å; Y534-Q538 HydrophobicContact CE2-CB 4.39Å; Y534-Q538 PolarHBondContact O-N 3.49Å; Y534-Q538 PolarHBondContact OH-OE1 2.84Å; Y534-G541 VanDerWaalsContact OH-CA 3.25Å; Y534-G541 WeakPolarHBondContact OH-CA 3.48Å; Y534-L542 PolarHBondContact OH-N 2.98Å; Y534-S543 PolarHBondContact OH-N 3.17Å; Y534-S543 PolarHBondContact OH-OG 3.01Å; Y534-V548 HydrophobicContact CD1-CG2 3.98Å; Y534-V548 HydrophobicContact CD2-CB 4.08Å; Y534-V548 HydrophobicContact CD2-CG1 3.85Å; Y534-V548 HydrophobicContact CD2-CG2 4.17Å; Y534-V548 HydrophobicContact CE1-CG2 4.39Å; Y534-V548 HydrophobicContact CE2-CG1 3.86Å; Y534-V548 HydrophobicContact CG-CB 4.18Å; Y534-V548 HydrophobicContact CG-CG1 4.37Å; Y534-V548 HydrophobicContact CG-CG2 3.84Å
535	R	86.4	Confident	84.5	Confident	153 Å²	153	76.7 Å²	76.7	58%	0.577	39%	0.389	S	S	*	.	H	α-helix	trans	-71.5	-30.2	176.1	-72.7	169.4	178.4	-176.2	-1.4	112.4	Q531 E532 Q538 P539	Q531-R535 WeakPolarHBondContact O-CD 3.28Å; Q531-R535 WeakPolarHBondContact O-CG 3.37Å; E532-R535 WeakPolarHBondContact O-CB 3.4Å; E532-R535 PolarHBondContact O-N 3.33Å; R535-Q538 CarbonylContact O-C 3.59Å; R535-P539 WeakPolarHBondContact O-CA 3.47Å
536	E	88	Confident	84.4	Confident	160 Å²	160	79.8 Å²	79.8	75%	0.748	41%	0.411	S	S	*	.	H	α-helix	trans	-68.9	-41.1	172.6	-63	-179	156.6	0	0	111.4	E532 E533 Y534	E532-E536 PolarHBondContact O-N 3.36Å; E533-E536 PolarHBondContact O-N 2.91Å; Y534-E536 VanDerWaalsContact C-N 3.35Å
537	K	85	Confident	84.5	Confident	132 Å²	132	80 Å²	80	57%	0.574	41%	0.405	S	S	*	.	H	α-helix	trans	-77	-29.3	177.7	-69.8	175.3	-179.7	178.4	0	113.4	I529 E533 Y534	I529-K537 HydrophobicContact CD1-CD 3.8Å; E533-K537 WeakPolarHBondContact O-CG 3.14Å; E533-K537 PolarHBondContact O-N 2.95Å; Y534-K537 PolarHBondContact O-N 3.4Å
538	Q	79.7	Confident	84.7	Confident	68 Å²	68	77.5 Å²	77.5	32%	0.318	39%	0.391	S	S	.	.			trans	-144	94.1	178	-69.8	-175.3	0.2	0	0	110.8	E466 Y534 R535 D540 G541	E466-Q538 PolarHBondContact OE1-NE2 2.91Å; E466-Q538 PolarHBondContact OE1-OE1 3.13Å; E466-Q538 PolarHBondContact OE2-OE1 3.15Å; E466-Q538 VanDerWaalsContact OE2-OE1 3.08Å; Y534-Q538 HydrophobicContact CE2-CB 4.39Å; Y534-Q538 PolarHBondContact O-N 3.49Å; Y534-Q538 PolarHBondContact OH-OE1 2.84Å; R535-Q538 CarbonylContact O-C 3.59Å; Q538-D540 VanDerWaalsContact C-N 3.29Å; Q538-D540 PolarHBondContact O-N 3.47Å; Q538-G541 PolarHBondContact O-N 2.74Å; Q538-G541 VanDerWaalsContact O-N 3.11Å
539	P	74.4	Confident	84.8	Confident	109 Å²	109	77.2 Å²	77.2	71%	0.708	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-31.8	179.7	24.4	-33.7	0	0	0	113.2	R535 G541	R535-P539 WeakPolarHBondContact O-CA 3.47Å; P539-G541 VanDerWaalsContact C-N 3.25Å; P539-G541 PolarHBondContact O-N 3.02Å
540	D	73.8	Confident	84.8	Confident	156 Å²	156	79.4 Å²	79.4	83%	0.834	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	12.6	176.1	-60.4	-48.4	0	0	0	113.3	Q538 L542	Q538-D540 VanDerWaalsContact C-N 3.29Å; Q538-D540 PolarHBondContact O-N 3.47Å; D540-L542 PolarHBondContact O-N 2.93Å
541	G	70.1	Confident	84.8	Confident	23 Å²	23	77.5 Å²	77.5	24%	0.237	39%	0.389	C	S	.	.			trans	-61.5	124.1	-173.6	0	0	0	0	0	113.9	Y534 Q538 P539 S543	Y534-G541 VanDerWaalsContact OH-CA 3.25Å; Y534-G541 WeakPolarHBondContact OH-CA 3.48Å; Q538-G541 PolarHBondContact O-N 2.74Å; Q538-G541 VanDerWaalsContact O-N 3.11Å; P539-G541 VanDerWaalsContact C-N 3.25Å; P539-G541 PolarHBondContact O-N 3.02Å; G541-S543 PolarHBondContact O-N 2.94Å
542	L	73	Confident	84.9	Confident	140 Å²	140	77.8 Å²	77.8	73%	0.733	40%	0.396	S	S	*	.			trans	-69.6	-13.9	-177.3	-72.1	165.7	0	0	0	114.1	Y534 D540	Y534-L542 PolarHBondContact OH-N 2.98Å; D540-L542 PolarHBondContact O-N 2.93Å
543	S	76.4	Confident	84.9	Confident	10 Å²	10	74.9 Å²	74.9	7%	0.07	39%	0.385	C	S	.	.			trans	-83.9	128.3	-174.9	-59.8	0	0	0	0	112.9	Q531 Y534 G541	Q531-S543 PolarHBondContact NE2-O 2.8Å; Q531-S543 VanDerWaalsContact NE2-O 3.11Å; Q531-S543 PolarHBondContact OE1-O 3.39Å; Y534-S543 PolarHBondContact OH-N 3.17Å; Y534-S543 PolarHBondContact OH-OG 3.01Å; G541-S543 PolarHBondContact O-N 2.94Å
544	Q	81.1	Confident	85.1	Confident	177 Å²	177	73.2 Å²	73.2	83%	0.827	38%	0.382	S	S	*	.			trans	-112.7	17	177.9	-59.7	-174.3	-3.7	0	0	113.7
545	S	88.2	Confident	85.3	Confident	37 Å²	37	78 Å²	78	26%	0.259	40%	0.4	S	S	.	.	S	Bend	trans	-100.1	144.5	-177.6	-61.7	0	0	0	0	112.4	G468 R469 Q531 Y547	G468-S545 VanDerWaalsContact C-CB 3.4Å; G468-S545 VanDerWaalsContact CA-CB 3.42Å; R469-S545 VanDerWaalsContact N-CB 3.29Å; Q531-S545 PolarHBondContact OE1-O 3.05Å; Q531-S545 VanDerWaalsContact OE1-O 3.06Å; S545-Y547 PolarHBondContact O-N 3.11Å
546	S	90	Very high	85.5	Confident	66 Å²	66	72.5 Å²	72.5	46%	0.462	38%	0.381	S	S	.	.	S	Bend	trans	-47.3	-33.7	-175.1	-46	0	0	0	0	115.5	Q531	Q531-S546 PolarHBondContact N-O 3.33Å
547	Y	92.4	Very high	85.7	Confident	74 Å²	74	65 Å²	65	29%	0.29	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.3	172.7	-54.9	-85.1	0	0	0	109.9	G468 R469 W471 Y472 I529 T530 S545	G468-Y547 CarbonylContact C-O 3.58Å; G468-Y547 WeakPolarHBondContact CA-O 3.46Å; R469-Y547 PolarHBondContact N-O 3.37Å; R469-Y547 PolarHBondContact O-N 3.42Å; R469-Y547 VanDerWaalsContact O-O 3.11Å; W471-Y547 VanDerWaalsContact C-CD2 3.44Å; Y472-Y547 AromaticContact CD2-CD1 3.77Å; Y472-Y547 HydrophobicContact CD2-CD1 3.77Å; Y472-Y547 AromaticContact CD2-CE1 3.98Å; Y472-Y547 HydrophobicContact CD2-CE1 3.98Å; Y472-Y547 HydrophobicContact CG-CD1 4.34Å; Y472-Y547 HydrophobicContact CG-CE1 4.24Å; I529-Y547 CarbonylContact O-C 3.51Å; I529-Y547 VanDerWaalsContact O-CA 3.29Å; I529-Y547 WeakPolarHBondContact O-CA 3.26Å; T530-Y547 HydrophobicContact CG2-CD1 4.35Å; T530-Y547 HydrophobicContact CG2-CE1 4.17Å; S545-Y547 PolarHBondContact O-N 3.11Å
548	V	92.2	Very high	85.9	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.6	179.5	-174.5	0	0	0	0	109.2	E466 V528 I529 Y534	E466-V548 HydrophobicContact CB-CG1 3.75Å; E466-V548 HydrophobicContact CG-CG1 4.09Å; V528-V548 WeakPolarHBondContact CA-O 3.39Å; I529-V548 PolarHBondContact N-O 2.98Å; I529-V548 PolarHBondContact O-N 3.15Å; Y534-V548 HydrophobicContact CD1-CG2 3.98Å; Y534-V548 HydrophobicContact CD2-CB 4.08Å; Y534-V548 HydrophobicContact CD2-CG1 3.85Å; Y534-V548 HydrophobicContact CD2-CG2 4.17Å; Y534-V548 HydrophobicContact CE1-CG2 4.39Å; Y534-V548 HydrophobicContact CE2-CG1 3.86Å; Y534-V548 HydrophobicContact CG-CB 4.18Å; Y534-V548 HydrophobicContact CG-CG1 4.37Å; Y534-V548 HydrophobicContact CG-CG2 3.84Å
549	F	93.6	Very high	86.4	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.009	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.4	-178.3	-62.1	9.6	0	0	0	108	L449 E466 E467 R469 W471 T473 I525 V528	L449-F549 HydrophobicContact CD2-CD2 4.35Å; L449-F549 HydrophobicContact CD2-CE2 4.17Å; E466-F549 WeakPolarHBondContact CA-O 3.33Å; E467-F549 PolarHBondContact N-O 3Å; E467-F549 PolarHBondContact O-N 2.61Å; R469-F549 HydrophobicContact CB-CE1 3.9Å; R469-F549 HydrophobicContact CB-CZ 3.88Å; R469-F549 HydrophobicContact CG-CD2 4.48Å; R469-F549 HydrophobicContact CG-CE1 4.13Å; R469-F549 HydrophobicContact CG-CE2 3.98Å; R469-F549 HydrophobicContact CG-CZ 3.78Å; W471-F549 HydrophobicContact CH2-CE2 4.14Å; W471-F549 HydrophobicContact CH2-CZ 4.02Å; W471-F549 HydrophobicContact CZ2-CE2 4.37Å; W471-F549 HydrophobicContact CZ2-CZ 4.19Å; W471-F549 HydrophobicContact CZ3-CZ 4.23Å; T473-F549 HydrophobicContact CG2-CD2 4.5Å; T473-F549 HydrophobicContact CG2-CE1 4.08Å; T473-F549 HydrophobicContact CG2-CE2 3.88Å; T473-F549 HydrophobicContact CG2-CZ 3.64Å; I525-F549 HydrophobicContact CD1-CB 4.44Å; I525-F549 HydrophobicContact CD1-CD2 3.92Å; I525-F549 HydrophobicContact CD1-CG 4.46Å; V528-F549 HydrophobicContact CB-CD1 4.29Å; V528-F549 HydrophobicContact CG1-CD1 3.57Å; V528-F549 HydrophobicContact CG1-CE1 3.68Å; V528-F549 HydrophobicContact CG2-CB 4.4Å; V528-F549 HydrophobicContact CG2-CD1 3.87Å; V528-F549 HydrophobicContact CG2-CE1 4.36Å; V528-F549 HydrophobicContact CG2-CG 4.09Å
550	I	91.9	Very high	87.2	Confident	51 Å²	51	64 Å²	64	26%	0.262	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.3	177.8	-63.3	-174.5	0	0	0	108.9	V526 D527 I529	V526-I550 HydrophobicContact CB-CG2 4.49Å; V526-I550 PolarHBondContact N-O 3.31Å; D527-I550 PolarHBondContact O-N 2.84Å; I529-I550 HydrophobicContact CD1-CD1 3.48Å; I529-I550 VanDerWaalsContact CD1-CD1 3.48Å; I529-I550 HydrophobicContact CD1-CG1 4.43Å; I529-I550 HydrophobicContact CG1-CD1 4.18Å
551	C	92.1	Very high	88.1	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.4	-175.1	-57.6	0	0	0	0	111.4	L459 L465 V523 N524	L459-C551 HydrophobicContact CD1-CB 3.85Å; L465-C551 WeakPolarHBondContact O-CA 3.31Å; L465-C551 VanDerWaalsContact O-CB 3.28Å; L465-C551 WeakPolarHBondContact O-CB 3.38Å; L465-C551 PolarHBondContact O-N 3.28Å; V523-C551 HydrophobicContact CB-CB 4.15Å; V523-C551 HydrophobicContact CG2-CB 4.17Å; N524-C551 CarbonylContact O-C 3.54Å; N524-C551 VanDerWaalsContact O-CA 3.32Å; N524-C551 WeakPolarHBondContact O-CA 3.27Å
552	A	91	Very high	89.2	Confident	32 Å²	32	62.2 Å²	62.2	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-179.2	172.1	0	0	0	0	0	110.9	N524 V526 P554	N524-A552 PolarHBondContact N-O 3.44Å; N524-A552 PolarHBondContact O-N 3.23Å; V526-A552 HydrophobicContact CG2-CB 3.56Å; A552-P554 VanDerWaalsContact C-CD 3.48Å
553	D	88.5	Confident	90.2	Very high	91 Å²	91	56.4 Å²	56.4	49%	0.487	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.1	52.4	177.6	-56.8	-38.6	0	0	0	115.9	N524 R555	N524-D553 HydrophobicContact CB-CB 4.14Å; N524-D553 PolarHBondContact ND2-OD2 3.35Å; D553-R555 PolarHBondContact O-N 2.65Å
554	P	92.3	Very high	90.9	Very high	47 Å²	47	66.7 Å²	66.7	31%	0.305	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.9	178.4	30	-35.1	0	0	0	111.5	L459 L465 V523 A552	L459-P554 WeakPolarHBondContact O-CB 3.32Å; L465-P554 HydrophobicContact CD2-CG 4.32Å; V523-P554 HydrophobicContact CG1-CB 4.3Å; A552-P554 VanDerWaalsContact C-CD 3.48Å
555	R	91.1	Very high	91.2	Very high	103 Å²	103	60 Å²	60	39%	0.389	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	119.2	-180	-65.6	176.6	-178.2	-113.2	2.1	111	G521 R522 D553 L584 T585	G521-R555 CarbonylContact C-O 3.48Å; G521-R555 WeakPolarHBondContact CA-O 3.44Å; R522-R555 PolarHBondContact N-O 2.8Å; R522-R555 PolarHBondContact O-N 2.8Å; D553-R555 PolarHBondContact O-N 2.65Å; R555-L584 HydrophobicContact CB-CD2 4.11Å; R555-T585 WeakPolarHBondContact CD-O 3.46Å; R555-T585 PolarHBondContact NH1-O 3.06Å; R555-T585 PolarHBondContact NH1-OXT 2.96Å
556	E	91.6	Very high	91.3	Very high	39 Å²	39	63.6 Å²	63.6	18%	0.182	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.3	171.6	-162.6	170.2	-169	0	0	110.7	V460 R461 L520 K560	V460-E556 VanDerWaalsContact CG1-CA 3.49Å; V460-E556 HydrophobicContact CG1-CB 3.72Å; V460-E556 HydrophobicContact CG1-CG 3.92Å; R461-E556 IonicContact CZ-OE2 3.3Å; R461-E556 VanDerWaalsContact CZ-OE2 3.25Å; R461-E556 IonicContact NE-OE2 3.34Å; R461-E556 PolarHBondContact NE-OE2 2.95Å; R461-E556 IonicContact NH2-OE1 3.05Å; R461-E556 IonicContact NH2-OE2 2.73Å; R461-E556 PolarHBondContact NH2-OE2 2.94Å; L520-E556 WeakPolarHBondContact O-CA 3.44Å; L520-E556 WeakPolarHBondContact O-CG 3.24Å; E556-K560 WeakPolarHBondContact OE1-CE 3.47Å; E556-K560 IonicContact OE1-NZ 2.92Å; E556-K560 PolarHBondContact OE1-NZ 3Å
557	T	91.2	Very high	91.1	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.5	169.9	46.2	0	0	0	0	111	W480 L520 I559 A580 N583 L584	W480-T557 HydrophobicContact CZ3-CG2 3.89Å; L520-T557 PolarHBondContact O-N 3.44Å; L520-T557 PolarHBondContact O-OG1 3.32Å; L520-T557 VanDerWaalsContact O-OG1 3.05Å; T557-I559 WeakPolarHBondContact CB-O 3.28Å; T557-I559 PolarHBondContact O-N 2.63Å; T557-I559 VanDerWaalsContact O-N 3.1Å; T557-I559 PolarHBondContact OG1-O 2.67Å; T557-A580 HydrophobicContact CG2-CB 4.42Å; T557-N583 CarbonylContact C-O 3.42Å; T557-N583 VanDerWaalsContact CA-O 3.28Å; T557-N583 WeakPolarHBondContact CA-O 3.49Å; T557-L584 HydrophobicContact CG2-CD2 4Å
558	L	89.2	Confident	91.1	Very high	129 Å²	129	69.5 Å²	69.5	68%	0.675	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.5	-32.7	175.9	-67.3	174.1	0	0	0	113.4	N583 T585	L558-N583 PolarHBondContact N-O 3.42Å; L558-T585 HydrophobicContact CD1-CG2 4.47Å; L558-T585 HydrophobicContact CD2-CG2 3.65Å; L558-T585 HydrophobicContact CG-CG2 3.94Å
559	I	90.4	Very high	91.1	Very high	94 Å²	94	71.2 Å²	71.2	48%	0.482	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.5	177.3	-57.7	-179.1	0	0	0	107.9	T557 F561 N583	T557-I559 WeakPolarHBondContact CB-O 3.28Å; T557-I559 PolarHBondContact O-N 2.63Å; T557-I559 VanDerWaalsContact O-N 3.1Å; T557-I559 PolarHBondContact OG1-O 2.67Å; I559-F561 HydrophobicContact CB-CE2 4.33Å; I559-F561 HydrophobicContact CB-CZ 4.13Å; I559-F561 HydrophobicContact CG2-CE1 4.28Å; I559-F561 HydrophobicContact CG2-CZ 4.26Å; I559-F561 WeakPolarHBondContact O-CD2 3.43Å; I559-F561 WeakPolarHBondContact O-CE2 3.44Å; I559-N583 WeakPolarHBondContact CD1-OD1 3.36Å
560	K	91.2	Very high	91.1	Very high	63 Å²	63	72 Å²	72	27%	0.274	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112	-180	-58.4	-173.8	-178.4	-170	0	109.6	P515 C518 L519 L520 E556	P515-K560 HydrophobicContact CG-CD 3.8Å; C518-K560 HydrophobicContact CB-CB 4.25Å; L519-K560 WeakPolarHBondContact O-CA 3.35Å; L520-K560 HydrophobicContact CD2-CD 4.15Å; E556-K560 WeakPolarHBondContact OE1-CE 3.47Å; E556-K560 IonicContact OE1-NZ 2.92Å; E556-K560 PolarHBondContact OE1-NZ 3Å
561	F	92.4	Very high	91.2	Very high	33 Å²	33	74 Å²	74	15%	0.145	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.3	-172.1	-60.7	-88.8	0	0	0	111.3	C518 L519 I559 I563 M576 A579 A580 N583	C518-F561 CarbonylContact C-O 3.51Å; C518-F561 WeakPolarHBondContact CA-O 3.43Å; L519-F561 HydrophobicContact CB-CB 4.09Å; L519-F561 HydrophobicContact CD2-CD2 4.29Å; L519-F561 PolarHBondContact N-O 3Å; L519-F561 PolarHBondContact O-N 3.3Å; I559-F561 HydrophobicContact CB-CE2 4.33Å; I559-F561 HydrophobicContact CB-CZ 4.13Å; I559-F561 HydrophobicContact CG2-CE1 4.28Å; I559-F561 HydrophobicContact CG2-CZ 4.26Å; I559-F561 WeakPolarHBondContact O-CD2 3.43Å; I559-F561 WeakPolarHBondContact O-CE2 3.44Å; F561-I563 PolarHBondContact O-N 3.36Å; F561-M576 HydrophobicContact CB-CE 3.95Å; F561-A579 HydrophobicContact CE1-CB 3.83Å; F561-A579 HydrophobicContact CZ-CB 4.06Å; F561-A580 HydrophobicContact CD2-CB 4.13Å; F561-A580 HydrophobicContact CE2-CB 3.96Å; F561-N583 HydrophobicContact CE2-CB 4.24Å; F561-N583 HydrophobicContact CZ-CB 4.22Å
562	P	93.5	Very high	91.2	Very high	109 Å²	109	74.4 Å²	74.4	71%	0.708	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.3	178.5	27	-33.8	0	0	0	110.8	M576	P562-M576 WeakPolarHBondContact O-CE 3.31Å
563	I	93.3	Very high	91.3	Very high	19 Å²	19	78.1 Å²	78.1	10%	0.097	38%	0.377	C	S	.	.			trans	-142.6	139.8	-177.4	-162.4	170.7	0	0	0	111.8	A482 S517 L519 F561 G565 Y570 L572 M576	A482-I563 HydrophobicContact CB-CG2 3.66Å; S517-I563 CarbonylContact C-O 3.53Å; S517-I563 PolarHBondContact O-N 3.49Å; L519-I563 HydrophobicContact CB-CG2 4.21Å; F561-I563 PolarHBondContact O-N 3.36Å; I563-G565 PolarHBondContact O-N 3.49Å; I563-Y570 HydrophobicContact CD1-CE2 4.38Å; I563-L572 HydrophobicContact CD1-CD2 3.38Å; I563-M576 HydrophobicContact CB-CE 3.93Å; I563-M576 HydrophobicContact CD1-CE 4.11Å; I563-M576 HydrophobicContact CD1-SD 4.17Å; I563-M576 HydrophobicContact CG1-CE 4.06Å; I563-M576 HydrophobicContact CG1-SD 4.24Å
564	R	91.6	Very high	91.4	Very high	226 Å²	226	81.6 Å²	81.6	85%	0.853	39%	0.388	S	S	*	.			trans	-83.6	108.6	168.6	-66.4	-175.4	179.5	-168	-1.2	109.1
565	G	87.5	Confident	91.3	Very high	35 Å²	35	85.4 Å²	85.4	36%	0.361	40%	0.401	S	S	.	.			trans	-58.4	152.9	174.3	0	0	0	0	0	112.8	S450 I563	S450-G565 WeakPolarHBondContact OG-CA 3.19Å; I563-G565 PolarHBondContact O-N 3.49Å
566	K	91.2	Very high	91.3	Very high	113 Å²	113	81.6 Å²	81.6	49%	0.491	39%	0.388	S	S	.	.			trans	-129.4	166.2	178.9	-52.3	175.5	-174.6	168.8	0	109.9	S450 Y570	S450-K566 PolarHBondContact OG-N 3.17Å; K566-Y570 HydrophobicContact CB-CD1 3.59Å; K566-Y570 HydrophobicContact CB-CD2 4.36Å; K566-Y570 HydrophobicContact CB-CE1 3.95Å; K566-Y570 HydrophobicContact CB-CG 3.8Å; K566-Y570 HydrophobicContact CD-CD2 3.86Å; K566-Y570 HydrophobicContact CD-CE2 4.45Å; K566-Y570 HydrophobicContact CD-CG 3.91Å; K566-Y570 HydrophobicContact CG-CD1 4.32Å; K566-Y570 HydrophobicContact CG-CD2 4.24Å; K566-Y570 HydrophobicContact CG-CE2 4.45Å; K566-Y570 HydrophobicContact CG-CG 4.17Å
567	H	85.8	Confident	91.4	Very high	162 Å²	162	80.9 Å²	80.9	75%	0.75	39%	0.385	S	S	*	.	S	Bend	trans	-79	143.4	-179.2	-164.9	-128.3	0	0	0	111.7
568	K	91.3	Very high	91.4	Very high	103 Å²	103	85 Å²	85	45%	0.448	41%	0.405	S	S	.	.	S	Bend	trans	56	-165.6	-170.1	-57.9	-170.4	174.7	-175.3	0	112.9	W471	W471-K568 HydrophobicContact CD2-CD 4.15Å; W471-K568 HydrophobicContact CD2-CG 4.05Å; W471-K568 HydrophobicContact CE3-CD 4.11Å; W471-K568 HydrophobicContact CE3-CG 4.26Å; W471-K568 HydrophobicContact CH2-CB 3.9Å; W471-K568 HydrophobicContact CH2-CG 4.34Å; W471-K568 HydrophobicContact CZ2-CB 3.98Å; W471-K568 HydrophobicContact CZ2-CG 4.1Å; W471-K568 HydrophobicContact CZ3-CB 4.14Å; W471-K568 HydrophobicContact CZ3-CD 4.49Å; W471-K568 HydrophobicContact CZ3-CG 4.39Å
569	I	92.6	Very high	91.5	Very high	35 Å²	35	80.3 Å²	80.3	18%	0.179	39%	0.386	C	S	.	.	S	Bend	trans	-72.6	134.5	171	-74.9	157.2	0	0	0	109.4	Y447 C448 L449 W471 T473 Y475 L479	Y447-I569 HydrophobicContact CD1-CG2 3.6Å; Y447-I569 HydrophobicContact CE1-CG2 4.49Å; Y447-I569 HydrophobicContact CG-CG2 4.12Å; C448-I569 WeakPolarHBondContact O-CA 3.36Å; L449-I569 HydrophobicContact CB-CG1 4.31Å; L449-I569 HydrophobicContact CD1-CG1 4.34Å; W471-I569 HydrophobicContact CH2-CB 4.49Å; W471-I569 HydrophobicContact CH2-CD1 4.07Å; W471-I569 HydrophobicContact CH2-CG1 4Å; W471-I569 HydrophobicContact CZ3-CD1 4.39Å; T473-I569 HydrophobicContact CG2-CD1 3.98Å; Y475-I569 HydrophobicContact CD1-CD1 4.48Å; L479-I569 HydrophobicContact CD1-CD1 4.42Å; L479-I569 HydrophobicContact CD1-CG1 4.02Å; L479-I569 HydrophobicContact CD1-CG2 4.43Å
570	Y	94.1	Very high	91.6	Very high	19 Å²	19	75.9 Å²	75.9	8%	0.075	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.2	178.8	60	-87.5	0	0	0	111.1	Y447 C448 S450 I563 K566 L572	Y447-Y570 CarbonylContact C-O 3.33Å; C448-Y570 HydrophobicContact CB-CD2 4.24Å; C448-Y570 HydrophobicContact CB-CE1 4.39Å; C448-Y570 HydrophobicContact CB-CE2 3.78Å; C448-Y570 PolarHBondContact N-O 3.39Å; C448-Y570 WeakPolarHBondContact O-CD1 3.35Å; C448-Y570 PolarHBondContact O-N 3.17Å; C448-Y570 PolarHBondContact SG-OH 3.43Å; C448-Y570 VanDerWaalsContact SG-OH 3.34Å; S450-Y570 WeakPolarHBondContact OG-CE1 3.23Å; S450-Y570 PolarHBondContact OG-OH 2.75Å; S450-Y570 VanDerWaalsContact OG-OH 3.05Å; I563-Y570 HydrophobicContact CD1-CE2 4.38Å; K566-Y570 HydrophobicContact CB-CD1 3.59Å; K566-Y570 HydrophobicContact CB-CD2 4.36Å; K566-Y570 HydrophobicContact CB-CE1 3.95Å; K566-Y570 HydrophobicContact CB-CG 3.8Å; K566-Y570 HydrophobicContact CD-CD2 3.86Å; K566-Y570 HydrophobicContact CD-CE2 4.45Å; K566-Y570 HydrophobicContact CD-CG 3.91Å; K566-Y570 HydrophobicContact CG-CD1 4.32Å; K566-Y570 HydrophobicContact CG-CD2 4.24Å; K566-Y570 HydrophobicContact CG-CE2 4.45Å; K566-Y570 HydrophobicContact CG-CG 4.17Å; Y570-L572 HydrophobicContact CE2-CD2 4.3Å
571	K	93.5	Very high	91.5	Very high	94 Å²	94	77.9 Å²	77.9	41%	0.409	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.1	177.1	-150.8	155.1	-164.2	152.1	0	111.5	E445 Y447	E445-K571 WeakPolarHBondContact O-CE 3.4Å; E445-K571 IonicContact OE2-NZ 3.42Å; E445-K571 PolarHBondContact OE2-NZ 3.39Å; Y447-K571 HydrophobicContact CE1-CB 4.48Å; Y447-K571 HydrophobicContact CE1-CD 4.41Å
572	L	93	Very high	91.4	Very high	13 Å²	13	84.2 Å²	84.2	7%	0.068	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-69	158.1	172.5	-68.7	178.1	0	0	0	111.3	G446 C448 W480 L519 I563 Y570 H577	G446-L572 WeakPolarHBondContact O-CB 3.14Å; G446-L572 WeakPolarHBondContact O-CG 3.2Å; G446-L572 PolarHBondContact O-N 2.99Å; C448-L572 HydrophobicContact CB-CD1 4.42Å; C448-L572 HydrophobicContact CB-CD2 3.6Å; C448-L572 HydrophobicContact CB-CG 3.77Å; W480-L572 HydrophobicContact CB-CD1 3.92Å; W480-L572 HydrophobicContact CD2-CD1 4.11Å; W480-L572 HydrophobicContact CG-CD1 3.7Å; L519-L572 HydrophobicContact CD1-CD1 4.49Å; L519-L572 HydrophobicContact CD1-CD2 4.23Å; L519-L572 HydrophobicContact CD2-CD1 4.39Å; I563-L572 HydrophobicContact CD1-CD2 3.38Å; Y570-L572 HydrophobicContact CE2-CD2 4.3Å; L572-H577 HydrophobicContact CB-CB 4.09Å; L572-H577 HydrophobicContact CD1-CB 4.24Å
573	E	92.4	Very high	91.1	Very high	110 Å²	110	80.7 Å²	80.7	51%	0.514	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-72.6	131.2	168.4	-63.7	-174.4	-157.3	0	0	109.5	H575 M576 H577	E573-H575 PolarHBondContact O-N 2.95Å; E573-H575 IonicContact OE2-CE1 3.29Å; E573-H575 PolarHBondContact OE2-CE1 3.08Å; E573-H575 VanDerWaalsContact OE2-CE1 3.27Å; E573-H575 IonicContact OE2-ND1 2.71Å; E573-M576 HydrophobicContact CB-CG 4.31Å; E573-M576 WeakPolarHBondContact O-CA 3.25Å; E573-M576 WeakPolarHBondContact O-CB 3.22Å; E573-M576 PolarHBondContact O-N 3.47Å; E573-H577 PolarHBondContact O-N 3.35Å
574	K	90.8	Very high	90.6	Very high	165 Å²	165	81.5 Å²	81.5	72%	0.717	38%	0.378	S	S	*	.	H	α-helix	trans	-50.3	-37.5	-170.7	-66	-169.5	176.1	-169	0	113.7	I578	K574-I578 WeakPolarHBondContact O-CB 3.37Å; K574-I578 WeakPolarHBondContact O-CD1 3.48Å; K574-I578 VanDerWaalsContact O-CG1 3.24Å; K574-I578 WeakPolarHBondContact O-CG1 3.29Å; K574-I578 PolarHBondContact O-N 3.36Å
575	H	90.8	Very high	89.3	Confident	126 Å²	126	76.2 Å²	76.2	58%	0.583	37%	0.371	S	S	*	.	H	α-helix	trans	-69.8	-37.9	179.5	76.8	-92.9	0	0	0	112.7	E573 A579	E573-H575 PolarHBondContact O-N 2.95Å; E573-H575 IonicContact OE2-CE1 3.29Å; E573-H575 PolarHBondContact OE2-CE1 3.08Å; E573-H575 VanDerWaalsContact OE2-CE1 3.27Å; E573-H575 IonicContact OE2-ND1 2.71Å; H575-A579 WeakPolarHBondContact O-CB 3.48Å; H575-A579 PolarHBondContact O-N 2.92Å
576	M	90.9	Very high	89.4	Confident	23 Å²	23	78.3 Å²	78.3	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-42.6	174.5	-62.2	-169	74.1	0	0	111.1	F561 P562 I563 E573 A579 A580	F561-M576 HydrophobicContact CB-CE 3.95Å; P562-M576 WeakPolarHBondContact O-CE 3.31Å; I563-M576 HydrophobicContact CB-CE 3.93Å; I563-M576 HydrophobicContact CD1-CE 4.11Å; I563-M576 HydrophobicContact CD1-SD 4.17Å; I563-M576 HydrophobicContact CG1-CE 4.06Å; I563-M576 HydrophobicContact CG1-SD 4.24Å; E573-M576 HydrophobicContact CB-CG 4.31Å; E573-M576 WeakPolarHBondContact O-CA 3.25Å; E573-M576 WeakPolarHBondContact O-CB 3.22Å; E573-M576 PolarHBondContact O-N 3.47Å; M576-A579 PolarHBondContact O-N 3.13Å; M576-A580 VanDerWaalsContact O-CB 3.31Å; M576-A580 WeakPolarHBondContact O-CB 3.45Å; M576-A580 PolarHBondContact O-N 3.19Å
577	H	92.3	Very high	89.3	Confident	25 Å²	25	76.4 Å²	76.4	12%	0.116	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-48	177.3	175.5	-135.6	0	0	0	111.9	D444 G446 W480 L572 E573 A579 A580 K581	D444-H577 PolarHBondContact O-CE1 2.68Å; D444-H577 VanDerWaalsContact O-CE1 3.25Å; D444-H577 IonicContact OD1-CD2 3.6Å; D444-H577 IonicContact OD1-CE1 2.79Å; D444-H577 IonicContact OD1-NE2 3.22Å; D444-H577 PolarHBondContact OD1-NE2 3.31Å; D444-H577 IonicContact OD2-CD2 2.73Å; D444-H577 IonicContact OD2-CE1 2.71Å; D444-H577 IonicContact OD2-NE2 2.72Å; D444-H577 PolarHBondContact OD2-NE2 2.87Å; G446-H577 VanDerWaalsContact CA-CD2 3.49Å; G446-H577 WeakPolarHBondContact CA-CD2 3.27Å; G446-H577 WeakPolarHBondContact CA-NE2 3.32Å; G446-H577 PolarHBondContact N-CE1 2.89Å; G446-H577 PolarHBondContact N-NE2 3.21Å; W480-H577 AromaticContact CE2-CD2 3.85Å; W480-H577 AromaticContact NE1-CD2 3.55Å; W480-H577 AromaticContact NE1-NE2 3.69Å; L572-H577 HydrophobicContact CB-CB 4.09Å; L572-H577 HydrophobicContact CD1-CB 4.24Å; E573-H577 PolarHBondContact O-N 3.35Å; H577-A579 VanDerWaalsContact C-N 3.32Å; H577-A579 PolarHBondContact O-N 3.24Å; H577-A580 PolarHBondContact O-N 3.2Å; H577-K581 VanDerWaalsContact O-CB 3.26Å; H577-K581 WeakPolarHBondContact O-CB 3.29Å; H577-K581 PolarHBondContact O-N 3.06Å
578	I	91.4	Very high	89.5	Confident	89 Å²	89	71.7 Å²	71.7	46%	0.456	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-37.4	175.4	-67.4	164.6	0	0	0	111.7	K574 K582	K574-I578 WeakPolarHBondContact O-CB 3.37Å; K574-I578 WeakPolarHBondContact O-CD1 3.48Å; K574-I578 VanDerWaalsContact O-CG1 3.24Å; K574-I578 WeakPolarHBondContact O-CG1 3.29Å; K574-I578 PolarHBondContact O-N 3.36Å; I578-K582 WeakPolarHBondContact O-CG 3.45Å; I578-K582 PolarHBondContact O-N 3.36Å
579	A	91.4	Very high	89.4	Confident	31 Å²	31	69.8 Å²	69.8	26%	0.256	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-46.2	176.5	0	0	0	0	0	111.9	F561 H575 M576 H577 K582 N583	F561-A579 HydrophobicContact CE1-CB 3.83Å; F561-A579 HydrophobicContact CZ-CB 4.06Å; H575-A579 WeakPolarHBondContact O-CB 3.48Å; H575-A579 PolarHBondContact O-N 2.92Å; M576-A579 PolarHBondContact O-N 3.13Å; H577-A579 VanDerWaalsContact C-N 3.32Å; H577-A579 PolarHBondContact O-N 3.24Å; A579-K582 PolarHBondContact O-N 3.2Å; A579-N583 PolarHBondContact O-N 2.94Å; A579-N583 PolarHBondContact O-ND2 2.99Å
580	A	92	Very high	89.2	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-42.4	179.9	0	0	0	0	0	111.9	W480 L519 T557 F561 M576 H577 K582 N583 L584	W480-A580 HydrophobicContact CE3-CB 4.09Å; W480-A580 VanDerWaalsContact CH2-C 3.48Å; W480-A580 HydrophobicContact CH2-CB 3.65Å; W480-A580 HydrophobicContact CZ2-CB 4.45Å; W480-A580 HydrophobicContact CZ3-CB 3.44Å; W480-A580 VanDerWaalsContact CZ3-CB 3.44Å; L519-A580 HydrophobicContact CD2-CB 3.58Å; T557-A580 HydrophobicContact CG2-CB 4.42Å; F561-A580 HydrophobicContact CD2-CB 4.13Å; F561-A580 HydrophobicContact CE2-CB 3.96Å; M576-A580 VanDerWaalsContact O-CB 3.31Å; M576-A580 WeakPolarHBondContact O-CB 3.45Å; M576-A580 PolarHBondContact O-N 3.19Å; H577-A580 PolarHBondContact O-N 3.2Å; A580-K582 PolarHBondContact O-N 3.39Å; A580-N583 CarbonylContact O-C 3.34Å; A580-N583 WeakPolarHBondContact O-CA 3.36Å; A580-N583 PolarHBondContact O-N 3.16Å; A580-L584 PolarHBondContact O-N 3.11Å
581	K	90.7	Very high	88.9	Confident	105 Å²	105	75.5 Å²	75.5	46%	0.457	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-27.8	175.7	-168.6	171.9	-167.4	148	0	113.6	D444 W480 H577	D444-K581 VanDerWaalsContact OD2-CD 3.28Å; D444-K581 WeakPolarHBondContact OD2-CD 3.34Å; D444-K581 WeakPolarHBondContact OD2-CE 3.33Å; D444-K581 IonicContact OD2-NZ 2.95Å; D444-K581 PolarHBondContact OD2-NZ 3.43Å; W480-K581 HydrophobicContact CH2-CB 4.43Å; W480-K581 HydrophobicContact CZ2-CB 4.25Å; H577-K581 VanDerWaalsContact O-CB 3.26Å; H577-K581 WeakPolarHBondContact O-CB 3.29Å; H577-K581 PolarHBondContact O-N 3.06Å
582	K	89.5	Confident	88.5	Confident	167 Å²	167	74.2 Å²	74.2	73%	0.726	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.3	173.5	-71.8	176.8	178	-173.3	0	114.5	I578 A579 A580	I578-K582 WeakPolarHBondContact O-CG 3.45Å; I578-K582 PolarHBondContact O-N 3.36Å; A579-K582 PolarHBondContact O-N 3.2Å; A580-K582 PolarHBondContact O-N 3.39Å
583	N	87.7	Confident	88.2	Confident	35 Å²	35	78.9 Å²	78.9	19%	0.187	39%	0.386	C	S	.	.	S	Bend	trans	-119.4	14.4	-177.5	-73.8	-91.6	0	0	0	112.3	T557 L558 I559 F561 A579 A580	T557-N583 CarbonylContact C-O 3.42Å; T557-N583 VanDerWaalsContact CA-O 3.28Å; T557-N583 WeakPolarHBondContact CA-O 3.49Å; L558-N583 PolarHBondContact N-O 3.42Å; I559-N583 WeakPolarHBondContact CD1-OD1 3.36Å; F561-N583 HydrophobicContact CE2-CB 4.24Å; F561-N583 HydrophobicContact CZ-CB 4.22Å; A579-N583 PolarHBondContact O-N 2.94Å; A579-N583 PolarHBondContact O-ND2 2.99Å; A580-N583 CarbonylContact O-C 3.34Å; A580-N583 WeakPolarHBondContact O-CA 3.36Å; A580-N583 PolarHBondContact O-N 3.16Å
584	L	82.2	Confident	87.8	Confident	35 Å²	35	76.3 Å²	76.3	18%	0.183	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-74	140	164.9	-68.3	171.5	0	0	0	109.6	W480 R522 R555 T557 A580	W480-L584 HydrophobicContact CH2-CD1 3.7Å; W480-L584 HydrophobicContact CH2-CD2 3.79Å; W480-L584 HydrophobicContact CH2-CG 3.76Å; W480-L584 HydrophobicContact CZ2-CD1 4.16Å; W480-L584 HydrophobicContact CZ3-CD2 3.87Å; W480-L584 HydrophobicContact CZ3-CG 4.3Å; R522-L584 HydrophobicContact CB-CD2 4.01Å; R555-L584 HydrophobicContact CB-CD2 4.11Å; T557-L584 HydrophobicContact CG2-CD2 4Å; A580-L584 PolarHBondContact O-N 3.11Å
585	T	64.5	Low	87.6	Confident	115 Å²	115	68.3 Å²	68.3	71%	0.706	34%	0.344	S	S	*	.			trans	-81.1	0	158.7	53.2	0	0	0	0	111	R555 L558	R555-T585 WeakPolarHBondContact CD-O 3.46Å; R555-T585 PolarHBondContact NH1-O 3.06Å; R555-T585 PolarHBondContact NH1-OXT 2.96Å; L558-T585 HydrophobicContact CD1-CG2 4.47Å; L558-T585 HydrophobicContact CD2-CG2 3.65Å; L558-T585 HydrophobicContact CG-CG2 3.94Å

Retrieved 585 of 585 residues in 912.6 ms (Link to these results)

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