A0A3Q0KPA3_SCHMA Loading...

ATP-dependent DNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KPA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 677 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	37.2	Very low	76.7	Confident	155 Å²	155	47.5 Å²	47.5	76%	0.764	24%	0.239	S	C	*	.				0	132.6	0	-81.5	-171.9	-168.6	0	0	108.4	P142 F208	M1-P142 WeakPolarHBondContact O-CD 3.24Å; M1-P142 WeakPolarHBondContact O-CG 3.33Å; M1-F208 HydrophobicContact CB-CE2 4.29Å; M1-F208 HydrophobicContact CB-CZ 4.15Å; M1-F208 HydrophobicContact CE-CD2 3.91Å; M1-F208 HydrophobicContact CE-CE2 3.42Å; M1-F208 VanDerWaalsContact CE-CE2 3.42Å; M1-F208 HydrophobicContact CE-CZ 3.86Å; M1-F208 HydrophobicContact CG-CE2 3.67Å; M1-F208 HydrophobicContact CG-CZ 3.87Å; M1-F208 HydrophobicContact SD-CD2 4.43Å; M1-F208 HydrophobicContact SD-CE1 4.25Å; M1-F208 HydrophobicContact SD-CE2 3.42Å; M1-F208 WeakPolarHBondContact SD-CE2 3.2Å; M1-F208 HydrophobicContact SD-CZ 3.3Å; M1-F208 WeakPolarHBondContact SD-CZ 3.49Å
2	T	48.4	Very low	77.7	Confident	95 Å²	95	44.8 Å²	44.8	58%	0.583	23%	0.225	S	C	*	.			trans	-63.4	143.1	168.5	28.7	0	0	0	0	110.7	S4 E139	T2-S4 PolarHBondContact O-N 3.38Å; T2-E139 WeakPolarHBondContact CA-OE2 3.36Å; T2-E139 WeakPolarHBondContact CB-OE2 3.16Å; T2-E139 VanDerWaalsContact CG2-OE2 3.28Å; T2-E139 WeakPolarHBondContact CG2-OE2 3.43Å
3	L	68.5	Low	78.2	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	23%	0.225	C	C	.	.			trans	-89.2	56.4	-179.2	-159	99.5	0	0	0	110.6	S33 A34 F104 F105 T108 E139 V140 P142	L3-S33 WeakPolarHBondContact O-CA 3.17Å; L3-A34 HydrophobicContact CD2-CB 3.59Å; L3-A34 PolarHBondContact O-N 3.04Å; L3-F104 HydrophobicContact CD1-CE1 4.17Å; L3-F105 HydrophobicContact CD2-CD2 3.72Å; L3-F105 HydrophobicContact CD2-CE2 3.9Å; L3-F105 HydrophobicContact CG-CD2 3.93Å; L3-F105 HydrophobicContact CG-CE2 4.4Å; L3-F105 WeakPolarHBondContact O-CE2 3.46Å; L3-T108 HydrophobicContact CD1-CG2 3.47Å; L3-T108 VanDerWaalsContact CD1-CG2 3.47Å; L3-T108 HydrophobicContact CD2-CG2 4.09Å; L3-T108 HydrophobicContact CG-CG2 4.45Å; L3-E139 PolarHBondContact N-OE2 2.58Å; L3-V140 VanDerWaalsContact CB-O 3.23Å; L3-V140 WeakPolarHBondContact CB-O 3.37Å; L3-P142 HydrophobicContact CD1-CB 4.29Å
4	S	79	Confident	78.5	Confident	34 Å²	34	43.5 Å²	43.5	24%	0.238	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.7	-176.7	52.7	0	0	0	0	112.5	T2 I32	T2-S4 PolarHBondContact O-N 3.38Å; S4-I32 CarbonylContact C-O 3.5Å; S4-I32 VanDerWaalsContact CA-O 3.28Å; S4-I32 WeakPolarHBondContact CA-O 2.95Å
5	L	84.9	Confident	78.2	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.8	172.5	-55.4	174.1	0	0	0	108.9	Q31 I32 K101 L102 F105	L5-Q31 CarbonylContact O-C 3.48Å; L5-Q31 VanDerWaalsContact O-CA 3.26Å; L5-Q31 WeakPolarHBondContact O-CA 3.39Å; L5-I32 HydrophobicContact CB-CG2 3.71Å; L5-I32 HydrophobicContact CD1-CG2 4.11Å; L5-I32 HydrophobicContact CG-CG2 4.28Å; L5-I32 PolarHBondContact N-O 2.86Å; L5-I32 PolarHBondContact O-N 3.09Å; L5-K101 HydrophobicContact CD2-CB 3.56Å; L5-L102 HydrophobicContact CD1-CD1 3.81Å; L5-F105 HydrophobicContact CD1-CB 3.53Å; L5-F105 HydrophobicContact CD1-CD1 3.65Å; L5-F105 HydrophobicContact CD1-CD2 3.86Å; L5-F105 HydrophobicContact CD1-CE1 4.31Å; L5-F105 HydrophobicContact CD1-CE2 4.48Å; L5-F105 HydrophobicContact CD1-CG 3.41Å; L5-F105 VanDerWaalsContact CD1-CG 3.41Å; L5-F105 HydrophobicContact CD2-CB 3.99Å; L5-F105 HydrophobicContact CD2-CG 4.46Å; L5-F105 HydrophobicContact CG-CB 3.88Å; L5-F105 HydrophobicContact CG-CD1 4.48Å; L5-F105 HydrophobicContact CG-CD2 3.78Å; L5-F105 HydrophobicContact CG-CE2 4.45Å; L5-F105 HydrophobicContact CG-CG 3.81Å
6	R	84.7	Confident	77.7	Confident	176 Å²	176	47.3 Å²	47.3	66%	0.664	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.6	159.6	-67.4	-174.6	-178.3	179.1	0.5	108.5	S30	R6-S30 WeakPolarHBondContact CA-O 3.48Å
7	C	87.4	Confident	77.5	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.034	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	169.8	-174.9	51.5	0	0	0	0	110.8	V9 S30 I32 I94 S95 C97	C7-V9 WeakPolarHBondContact SG-CG2 3.45Å; C7-S30 PolarHBondContact N-O 3.34Å; C7-S30 PolarHBondContact O-N 3.39Å; C7-S30 VanDerWaalsContact O-O 3.07Å; C7-S30 PolarHBondContact O-OG 3.29Å; C7-I32 WeakPolarHBondContact SG-CG2 3.43Å; C7-I94 HydrophobicContact CB-CG2 3.83Å; C7-S95 VanDerWaalsContact CB-O 3.27Å; C7-S95 WeakPolarHBondContact CB-O 3.47Å; C7-C97 HydrophobicContact CB-CB 4.02Å
8	S	86.9	Confident	76.9	Confident	13 Å²	13	53.2 Å²	53.2	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.8	164.2	-48.6	0	0	0	0	108.6	L27 R28 S95	S8-L27 CarbonylContact C-O 3.58Å; S8-L27 WeakPolarHBondContact CA-O 3.37Å; S8-R28 WeakPolarHBondContact CA-O 3.35Å; S8-R28 VanDerWaalsContact CB-O 3.26Å; S8-R28 WeakPolarHBondContact CB-O 3.35Å; S8-R28 PolarHBondContact OG-O 2.98Å; S8-S95 WeakPolarHBondContact CB-OG 3.26Å; S8-S95 PolarHBondContact N-O 3.05Å; S8-S95 PolarHBondContact O-N 3.04Å; S8-S95 VanDerWaalsContact O-O 3.13Å; S8-S95 PolarHBondContact O-OG 3.18Å
9	V	89	Confident	76.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.3	-174.2	-176.4	0	0	0	0	110.2	C7 I11 L27 S30 I46 I92 M93	C7-V9 WeakPolarHBondContact SG-CG2 3.45Å; V9-I11 HydrophobicContact CG1-CD1 4.44Å; V9-I11 HydrophobicContact CG1-CG1 3.79Å; V9-L27 PolarHBondContact N-O 3.29Å; V9-L27 PolarHBondContact O-N 3.29Å; V9-S30 VanDerWaalsContact CG2-OG 3.25Å; V9-S30 WeakPolarHBondContact CG2-OG 3.44Å; V9-I46 HydrophobicContact CG1-CD1 4.11Å; V9-I92 HydrophobicContact CG1-CG2 3.53Å; V9-M93 WeakPolarHBondContact CA-O 3.48Å
10	V	89.4	Confident	76.2	Confident	29 Å²	29	56.9 Å²	56.9	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.5	169.5	-178.5	0	0	0	0	108.1	R24 T25 A26 M93	V10-R24 HydrophobicContact CG1-CG 3.94Å; V10-T25 CarbonylContact C-O 3.58Å; V10-T25 WeakPolarHBondContact CA-O 3.4Å; V10-A26 HydrophobicContact CG2-CB 4.1Å; V10-M93 HydrophobicContact CB-CB 4.34Å; V10-M93 HydrophobicContact CB-CE 3.88Å; V10-M93 HydrophobicContact CG1-CE 3.6Å; V10-M93 PolarHBondContact N-O 3.26Å; V10-M93 PolarHBondContact O-N 3.19Å
11	I	88	Confident	76.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.9	-175.1	-48.6	168.3	0	0	0	107.4	V9 R24 T25 I46 M62 Y64 V90	V9-I11 HydrophobicContact CG1-CD1 4.44Å; V9-I11 HydrophobicContact CG1-CG1 3.79Å; I11-R24 CarbonylContact O-C 3.51Å; I11-R24 WeakPolarHBondContact O-CA 3.22Å; I11-T25 PolarHBondContact N-O 3.12Å; I11-T25 PolarHBondContact O-N 2.69Å; I11-I46 HydrophobicContact CD1-CD1 3.6Å; I11-I46 HydrophobicContact CD1-CG2 4.47Å; I11-I46 HydrophobicContact CG1-CD1 4.06Å; I11-M62 HydrophobicContact CD1-CE 3.45Å; I11-M62 VanDerWaalsContact CD1-CE 3.45Å; I11-M62 HydrophobicContact CD1-SD 3.75Å; I11-M62 HydrophobicContact CG2-CE 4.44Å; I11-Y64 HydrophobicContact CD1-CE2 4.37Å; I11-Y64 HydrophobicContact CG2-CE2 3.89Å; I11-Y64 WeakPolarHBondContact CG2-OH 3.48Å; I11-V90 HydrophobicContact CG2-CG1 3.87Å
12	E	89	Confident	78.5	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.075	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.3	175.8	-70.3	174.6	176.1	0	0	108.5	V21 R23 R24 V90 R91 M93	E12-V21 HydrophobicContact CB-CG1 4.08Å; E12-V21 HydrophobicContact CB-CG2 4.42Å; E12-V21 HydrophobicContact CG-CG1 4.02Å; E12-V21 HydrophobicContact CG-CG2 4.4Å; E12-R23 WeakPolarHBondContact CA-O 3.34Å; E12-R24 HydrophobicContact CG-CG 3.97Å; E12-R24 IonicContact OE1-CZ 3.24Å; E12-R24 IonicContact OE1-NE 3.43Å; E12-R24 PolarHBondContact OE1-NE 3.2Å; E12-R24 IonicContact OE1-NH2 3.33Å; E12-V90 WeakPolarHBondContact O-CA 3.46Å; E12-R91 HydrophobicContact CB-CB 4.24Å; E12-R91 PolarHBondContact N-O 3.35Å; E12-R91 PolarHBondContact O-N 2.89Å; E12-R91 IonicContact OE2-CZ 3.71Å; E12-R91 IonicContact OE2-NH1 3.69Å; E12-R91 PolarHBondContact OE2-NH1 2.93Å; E12-M93 VanDerWaalsContact CD-CE 3.48Å; E12-M93 HydrophobicContact CG-CE 4.16Å; E12-M93 WeakPolarHBondContact OE1-CE 3.31Å
13	E	83.8	Confident	80	Confident	48 Å²	48	60.5 Å²	60.5	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.6	169.1	-58.3	173.9	167.9	0	0	106.5	K22 R23 Y64 V90	E13-K22 WeakPolarHBondContact O-CA 3.23Å; E13-K22 WeakPolarHBondContact O-CB 3.42Å; E13-K22 PolarHBondContact O-N 3.3Å; E13-R23 HydrophobicContact CB-CB 4.13Å; E13-R23 PolarHBondContact N-O 3.15Å; E13-R23 PolarHBondContact O-N 3.1Å; E13-R23 VanDerWaalsContact O-N 3.09Å; E13-R23 WeakPolarHBondContact OE2-CD 3.34Å; E13-R23 IonicContact OE2-NH1 2.7Å; E13-Y64 PolarHBondContact OE1-OH 2.89Å; E13-V90 HydrophobicContact CG-CG2 4.38Å
14	L	82.9	Confident	80.9	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.12	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	156.2	-174.7	-55	162.6	0	0	0	110.2	T20 V21 S89	L14-T20 CarbonylContact C-O 3.56Å; L14-T20 VanDerWaalsContact CA-O 3.28Å; L14-T20 WeakPolarHBondContact CA-O 3.43Å; L14-V21 HydrophobicContact CD2-CG2 3.96Å; L14-S89 WeakPolarHBondContact CB-O 3.42Å; L14-S89 PolarHBondContact N-O 3.28Å
15	A	74.4	Confident	81.1	Confident	23 Å²	23	68 Å²	68	19%	0.19	34%	0.339	C	S	.	.			trans	-75.8	-176.7	172.9	0	0	0	0	0	112	D17 K18 T20	A15-D17 PolarHBondContact O-N 3.05Å; A15-K18 PolarHBondContact O-N 3.42Å; A15-T20 WeakPolarHBondContact CB-OG1 3.11Å; A15-T20 PolarHBondContact N-O 3.43Å
16	S	70.3	Confident	81.1	Confident	125 Å²	125	71 Å²	71	87%	0.874	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.4	176.8	40.7	0	0	0	0	113.4	K18	S16-K18 PolarHBondContact O-N 3.15Å
17	D	73.5	Confident	81	Confident	78 Å²	78	63.3 Å²	63.3	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.4	173.2	65	15.7	0	0	0	114.1	A15 C19 T20	A15-D17 PolarHBondContact O-N 3.05Å; D17-C19 PolarHBondContact O-N 3.3Å; D17-C19 PolarHBondContact O-SG 3.48Å; D17-C19 PolarHBondContact OD1-N 3.48Å; D17-T20 VanDerWaalsContact CG-OG1 3.28Å; D17-T20 PolarHBondContact OD1-N 3.27Å; D17-T20 PolarHBondContact OD1-OG1 2.82Å; D17-T20 VanDerWaalsContact OD1-OG1 3.13Å; D17-T20 WeakPolarHBondContact OD2-CB 3.37Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.34Å; D17-T20 PolarHBondContact OD2-OG1 3.34Å
18	K	66.4	Low	80.6	Confident	123 Å²	123	73.6 Å²	73.6	54%	0.535	38%	0.376	S	S	.	.	S	Bend	trans	56.2	10.3	-173.4	-60.1	178.8	178.3	175.8	0	115.2	A15 S16	A15-K18 PolarHBondContact O-N 3.42Å; S16-K18 PolarHBondContact O-N 3.15Å
19	C	67	Low	80.3	Confident	102 Å²	102	77.7 Å²	77.7	69%	0.689	39%	0.393	S	S	*	.	S	Bend	trans	-118.4	-42.3	-173.2	-73.4	0	0	0	0	112.1	D17	D17-C19 PolarHBondContact O-N 3.3Å; D17-C19 PolarHBondContact O-SG 3.48Å; D17-C19 PolarHBondContact OD1-N 3.48Å
20	T	74.3	Confident	80	Confident	77 Å²	77	77.8 Å²	77.8	47%	0.472	39%	0.394	S	S	.	.	S	Bend	trans	-83.9	134.5	179.4	56.4	0	0	0	0	111.5	L14 A15 D17 K22	L14-T20 CarbonylContact C-O 3.56Å; L14-T20 VanDerWaalsContact CA-O 3.28Å; L14-T20 WeakPolarHBondContact CA-O 3.43Å; A15-T20 WeakPolarHBondContact CB-OG1 3.11Å; A15-T20 PolarHBondContact N-O 3.43Å; D17-T20 VanDerWaalsContact CG-OG1 3.28Å; D17-T20 PolarHBondContact OD1-N 3.27Å; D17-T20 PolarHBondContact OD1-OG1 2.82Å; D17-T20 VanDerWaalsContact OD1-OG1 3.13Å; D17-T20 WeakPolarHBondContact OD2-CB 3.37Å; D17-T20 WeakPolarHBondContact OD2-CG2 3.34Å; D17-T20 PolarHBondContact OD2-OG1 3.34Å; T20-K22 PolarHBondContact O-N 3.4Å
21	V	80.2	Confident	79.9	Confident	66 Å²	66	78.7 Å²	78.7	40%	0.4	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103	178.7	-179.8	0	0	0	0	109	E12 L14 R24	E12-V21 HydrophobicContact CB-CG1 4.08Å; E12-V21 HydrophobicContact CB-CG2 4.42Å; E12-V21 HydrophobicContact CG-CG1 4.02Å; E12-V21 HydrophobicContact CG-CG2 4.4Å; L14-V21 HydrophobicContact CD2-CG2 3.96Å; V21-R24 HydrophobicContact CG1-CB 4.16Å
22	K	79.9	Confident	79.9	Confident	172 Å²	172	78.7 Å²	78.7	75%	0.748	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	-36.2	176.9	-176.7	178.7	-179.3	178	0	112.2	E13 T20	E13-K22 WeakPolarHBondContact O-CA 3.23Å; E13-K22 WeakPolarHBondContact O-CB 3.42Å; E13-K22 PolarHBondContact O-N 3.3Å; T20-K22 PolarHBondContact O-N 3.4Å
23	R	81.2	Confident	79.8	Confident	145 Å²	145	77.9 Å²	77.9	55%	0.547	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	137.2	178.6	-167.8	-172.2	-173.8	175.5	2.1	111.3	E12 E13	E12-R23 WeakPolarHBondContact CA-O 3.34Å; E13-R23 HydrophobicContact CB-CB 4.13Å; E13-R23 PolarHBondContact N-O 3.15Å; E13-R23 PolarHBondContact O-N 3.1Å; E13-R23 VanDerWaalsContact O-N 3.09Å; E13-R23 WeakPolarHBondContact OE2-CD 3.34Å; E13-R23 IonicContact OE2-NH1 2.7Å
24	R	86	Confident	79.7	Confident	167 Å²	167	75.7 Å²	75.7	63%	0.63	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.6	174.4	-165.8	172.9	-167.4	-147.8	-3.3	110.6	V10 I11 E12 V21	V10-R24 HydrophobicContact CG1-CG 3.94Å; I11-R24 CarbonylContact O-C 3.51Å; I11-R24 WeakPolarHBondContact O-CA 3.22Å; E12-R24 HydrophobicContact CG-CG 3.97Å; E12-R24 IonicContact OE1-CZ 3.24Å; E12-R24 IonicContact OE1-NE 3.43Å; E12-R24 PolarHBondContact OE1-NE 3.2Å; E12-R24 IonicContact OE1-NH2 3.33Å; V21-R24 HydrophobicContact CG1-CB 4.16Å
25	T	83.7	Confident	79.4	Confident	31 Å²	31	74.6 Å²	74.6	19%	0.19	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.2	178	-55.2	0	0	0	0	109.4	V10 I11 L27 M62	V10-T25 CarbonylContact C-O 3.58Å; V10-T25 WeakPolarHBondContact CA-O 3.4Å; I11-T25 PolarHBondContact N-O 3.12Å; I11-T25 PolarHBondContact O-N 2.69Å; T25-L27 HydrophobicContact CG2-CD2 4.32Å; T25-L27 HydrophobicContact CG2-CG 4.44Å; T25-M62 HydrophobicContact CG2-SD 4.44Å
26	A	84.5	Confident	79.2	Confident	73 Å²	73	77.1 Å²	77.1	60%	0.603	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	123	178.6	0	0	0	0	0	111.1	V10	V10-A26 HydrophobicContact CG2-CB 4.1Å
27	L	82.6	Confident	78.9	Confident	14 Å²	14	72.7 Å²	72.7	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.5	177.7	-58.5	178.6	0	0	0	108.8	S8 V9 T25 I46 P48 K59	S8-L27 CarbonylContact C-O 3.58Å; S8-L27 WeakPolarHBondContact CA-O 3.37Å; V9-L27 PolarHBondContact N-O 3.29Å; V9-L27 PolarHBondContact O-N 3.29Å; T25-L27 HydrophobicContact CG2-CD2 4.32Å; T25-L27 HydrophobicContact CG2-CG 4.44Å; L27-I46 HydrophobicContact CD1-CG2 3.73Å; L27-P48 HydrophobicContact CD1-CB 4.31Å; L27-P48 HydrophobicContact CD2-CB 4.19Å; L27-K59 HydrophobicContact CD2-CD 4.5Å
28	R	78.7	Confident	78.2	Confident	221 Å²	221	73.3 Å²	73.3	83%	0.834	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	-43.5	-176.9	-69.5	-175.8	178.6	176.9	-0.4	112.3	S8	S8-R28 WeakPolarHBondContact CA-O 3.35Å; S8-R28 VanDerWaalsContact CB-O 3.26Å; S8-R28 WeakPolarHBondContact CB-O 3.35Å; S8-R28 PolarHBondContact OG-O 2.98Å
29	E	80.9	Confident	78	Confident	98 Å²	98	72.3 Å²	72.3	46%	0.458	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.7	169.3	-62.5	-164.3	175.2	0	0	109	M49	E29-M49 HydrophobicContact CB-CB 4.14Å; E29-M49 PolarHBondContact O-N 3.31Å
30	S	83.8	Confident	78	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.014	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.1	171.4	64	0	0	0	0	111.3	R6 C7 V9 T47	R6-S30 WeakPolarHBondContact CA-O 3.48Å; C7-S30 PolarHBondContact N-O 3.34Å; C7-S30 PolarHBondContact O-N 3.39Å; C7-S30 VanDerWaalsContact O-O 3.07Å; C7-S30 PolarHBondContact O-OG 3.29Å; V9-S30 VanDerWaalsContact CG2-OG 3.25Å; V9-S30 WeakPolarHBondContact CG2-OG 3.44Å; S30-T47 CarbonylContact C-O 3.55Å; S30-T47 VanDerWaalsContact CA-O 3.22Å; S30-T47 WeakPolarHBondContact CA-O 3.47Å; S30-T47 WeakPolarHBondContact CB-O 3.38Å
31	Q	86.8	Confident	77.8	Confident	48 Å²	48	71.8 Å²	71.8	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.5	169.4	-178.5	168	-41.1	0	0	108.4	L5 T47 M49	L5-Q31 CarbonylContact O-C 3.48Å; L5-Q31 VanDerWaalsContact O-CA 3.26Å; L5-Q31 WeakPolarHBondContact O-CA 3.39Å; Q31-T47 PolarHBondContact N-O 3.35Å; Q31-T47 PolarHBondContact O-N 2.99Å; Q31-M49 HydrophobicContact CB-CG 4.41Å
32	I	89.1	Confident	77.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130	168.3	-171.3	176.5	0	0	0	108.6	S4 L5 C7 I44 R45 I46 I92 I94 F105	S4-I32 CarbonylContact C-O 3.5Å; S4-I32 VanDerWaalsContact CA-O 3.28Å; S4-I32 WeakPolarHBondContact CA-O 2.95Å; L5-I32 HydrophobicContact CB-CG2 3.71Å; L5-I32 HydrophobicContact CD1-CG2 4.11Å; L5-I32 HydrophobicContact CG-CG2 4.28Å; L5-I32 PolarHBondContact N-O 2.86Å; L5-I32 PolarHBondContact O-N 3.09Å; C7-I32 WeakPolarHBondContact SG-CG2 3.43Å; I32-I44 HydrophobicContact CD1-CG2 3.64Å; I32-I44 HydrophobicContact CG1-CG2 3.64Å; I32-R45 CarbonylContact C-O 3.43Å; I32-R45 WeakPolarHBondContact CA-O 3.23Å; I32-I46 HydrophobicContact CB-CG1 4.43Å; I32-I46 HydrophobicContact CD1-CG1 4.4Å; I32-I46 HydrophobicContact CG1-CG1 4.01Å; I32-I92 HydrophobicContact CD1-CG2 4.36Å; I32-I94 HydrophobicContact CD1-CD1 3.75Å; I32-I94 HydrophobicContact CD1-CG1 4.25Å; I32-F105 HydrophobicContact CD1-CE1 4.24Å; I32-F105 HydrophobicContact CD1-CZ 4.09Å; I32-F105 HydrophobicContact CG1-CZ 3.98Å; I32-F105 HydrophobicContact CG2-CZ 4.36Å
33	S	86	Confident	77.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.6	-179.3	55.4	0	0	0	0	109.9	L3 R45 E139	L3-S33 WeakPolarHBondContact O-CA 3.17Å; S33-R45 PolarHBondContact N-O 3.24Å; S33-R45 PolarHBondContact O-N 2.87Å; S33-R45 PolarHBondContact OG-NE 3.05Å; S33-E139 WeakPolarHBondContact CB-OE1 3.47Å
34	A	82.4	Confident	78	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.8	165.6	0	0	0	0	0	108.9	L3 I42 L43 L109 V140	L3-A34 HydrophobicContact CD2-CB 3.59Å; L3-A34 PolarHBondContact O-N 3.04Å; A34-I42 HydrophobicContact CB-CG2 4.43Å; A34-L43 WeakPolarHBondContact CA-O 3.32Å; A34-L109 HydrophobicContact CB-CD1 4.13Å; A34-V140 HydrophobicContact CB-CB 3.9Å; A34-V140 HydrophobicContact CB-CG1 4.49Å; A34-V140 HydrophobicContact CB-CG2 3.91Å; A34-V140 WeakPolarHBondContact O-CB 3.39Å; A34-V140 PolarHBondContact O-N 3.25Å
35	V	75.9	Confident	77.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	161.5	177.5	-70	0	0	0	0	109.9	I42 L43 R45 L137 E138 E139 V140	V35-I42 WeakPolarHBondContact O-CA 3.37Å; V35-L43 HydrophobicContact CG2-CB 3.98Å; V35-L43 PolarHBondContact N-O 2.96Å; V35-L43 PolarHBondContact O-N 3.48Å; V35-R45 HydrophobicContact CG1-CB 4.32Å; V35-R45 VanDerWaalsContact CG1-CZ 3.45Å; V35-R45 HydrophobicContact CG2-CB 3.83Å; V35-L137 HydrophobicContact CB-CB 3.98Å; V35-L137 HydrophobicContact CG1-CB 4.42Å; V35-L137 HydrophobicContact CG2-CB 4.12Å; V35-L137 HydrophobicContact CG2-CD1 4.16Å; V35-E138 CarbonylContact C-O 3.59Å; V35-E138 VanDerWaalsContact CA-O 3.22Å; V35-E138 WeakPolarHBondContact CA-O 3.07Å; V35-E138 WeakPolarHBondContact CB-O 3.41Å; V35-E139 HydrophobicContact CG1-CG 3.95Å; V35-V140 VanDerWaalsContact C-CG2 3.44Å; V35-V140 WeakPolarHBondContact O-CG2 3.48Å
36	R	70.5	Confident	78	Confident	75 Å²	75	46.4 Å²	46.4	28%	0.283	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.8	167.1	-69.7	-165.2	164.6	179.1	-6.5	110.5	Q41 L137 E138 V140	R36-Q41 VanDerWaalsContact CA-O 3.3Å; R36-Q41 WeakPolarHBondContact CA-O 3.36Å; R36-L137 WeakPolarHBondContact O-CB 3.18Å; R36-E138 PolarHBondContact N-O 3.41Å; R36-V140 HydrophobicContact CG-CG2 3.79Å
37	D	64	Low	77.9	Confident	32 Å²	32	44.8 Å²	44.8	17%	0.171	21%	0.206	C	C	.	.			trans	-79.9	177.3	160.1	64.4	18.7	0	0	0	111.8	L39 Q40 Q41 L43 L137	D37-L39 PolarHBondContact O-N 2.99Å; D37-L39 VanDerWaalsContact OD1-C 3.25Å; D37-L39 WeakPolarHBondContact OD1-CA 3.41Å; D37-L39 WeakPolarHBondContact OD1-CB 3.32Å; D37-L39 PolarHBondContact OD1-N 2.8Å; D37-Q40 WeakPolarHBondContact O-CA 3.29Å; D37-Q40 PolarHBondContact O-N 3.41Å; D37-Q40 PolarHBondContact OD1-N 3.5Å; D37-Q40 VanDerWaalsContact OD1-N 3.09Å; D37-Q41 PolarHBondContact N-O 3.26Å; D37-Q41 WeakPolarHBondContact OD1-CA 3.31Å; D37-Q41 WeakPolarHBondContact OD1-CB 3.41Å; D37-Q41 PolarHBondContact OD1-N 3.19Å; D37-L43 HydrophobicContact CB-CD1 3.58Å; D37-L137 HydrophobicContact CB-CD1 4.45Å
38	D	58.2	Low	77.7	Confident	91 Å²	91	45.2 Å²	45.2	49%	0.487	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.3	178.7	-41.8	-49.5	0	0	0	112	Q40 T132	D38-Q40 PolarHBondContact O-N 2.85Å; D38-T132 WeakPolarHBondContact OD1-CB 3.32Å; D38-T132 PolarHBondContact OD1-OG1 3.45Å; D38-T132 VanDerWaalsContact OD1-OG1 3.13Å; D38-T132 WeakPolarHBondContact OD2-CB 3.41Å; D38-T132 PolarHBondContact OD2-N 3.45Å; D38-T132 PolarHBondContact OD2-OG1 3.42Å
39	L	62.1	Low	77.3	Confident	103 Å²	103	37.2 Å²	37.2	54%	0.539	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.9	175	-57.4	178	0	0	0	112.7	D37 Q41	D37-L39 PolarHBondContact O-N 2.99Å; D37-L39 VanDerWaalsContact OD1-C 3.25Å; D37-L39 WeakPolarHBondContact OD1-CA 3.41Å; D37-L39 WeakPolarHBondContact OD1-CB 3.32Å; D37-L39 PolarHBondContact OD1-N 2.8Å; L39-Q41 HydrophobicContact CB-CG 4.07Å; L39-Q41 PolarHBondContact O-N 3.04Å; L39-Q41 VanDerWaalsContact O-N 3.17Å
40	Q	66.5	Low	76.3	Confident	110 Å²	110	36.8 Å²	36.8	51%	0.514	18%	0.183	S	C	.	.			trans	60.7	14.2	-176.6	-63.1	-70.3	-45.4	0	0	114.7	D37 D38	D37-Q40 WeakPolarHBondContact O-CA 3.29Å; D37-Q40 PolarHBondContact O-N 3.41Å; D37-Q40 PolarHBondContact OD1-N 3.5Å; D37-Q40 VanDerWaalsContact OD1-N 3.09Å; D38-Q40 PolarHBondContact O-N 2.85Å
41	Q	70.9	Confident	74.5	Confident	58 Å²	58	44 Å²	44	27%	0.271	22%	0.222	S	C	.	.			trans	-77.7	141.2	174	-50.2	-169.7	12.4	0	0	110.2	R36 D37 L39	R36-Q41 VanDerWaalsContact CA-O 3.3Å; R36-Q41 WeakPolarHBondContact CA-O 3.36Å; D37-Q41 PolarHBondContact N-O 3.26Å; D37-Q41 WeakPolarHBondContact OD1-CA 3.31Å; D37-Q41 WeakPolarHBondContact OD1-CB 3.41Å; D37-Q41 PolarHBondContact OD1-N 3.19Å; L39-Q41 HydrophobicContact CB-CG 4.07Å; L39-Q41 PolarHBondContact O-N 3.04Å; L39-Q41 VanDerWaalsContact O-N 3.17Å
42	I	79.8	Confident	72.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.4	176.9	-63.7	161.3	0	0	0	109.3	A34 V35 V66 L109 K112 V140	A34-I42 HydrophobicContact CB-CG2 4.43Å; V35-I42 WeakPolarHBondContact O-CA 3.37Å; I42-V66 HydrophobicContact CB-CB 4.33Å; I42-V66 HydrophobicContact CG2-CB 4.17Å; I42-V66 HydrophobicContact CG2-CG2 4.04Å; I42-V66 WeakPolarHBondContact O-CB 3.45Å; I42-V66 PolarHBondContact O-N 3.43Å; I42-L109 HydrophobicContact CG2-CD1 4.03Å; I42-K112 VanDerWaalsContact CD1-C 3.49Å; I42-K112 HydrophobicContact CD1-CB 3.66Å; I42-V140 HydrophobicContact CG1-CG2 4.37Å; I42-V140 HydrophobicContact CG2-CG2 4.42Å
43	L	81.2	Confident	70	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.094	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.6	163.7	-68.2	94	0	0	0	111	A34 V35 D37 Y64 P65 L137	A34-L43 WeakPolarHBondContact CA-O 3.32Å; V35-L43 HydrophobicContact CG2-CB 3.98Å; V35-L43 PolarHBondContact N-O 2.96Å; V35-L43 PolarHBondContact O-N 3.48Å; D37-L43 HydrophobicContact CB-CD1 3.58Å; L43-Y64 CarbonylContact C-O 3.57Å; L43-Y64 VanDerWaalsContact CA-O 3.28Å; L43-Y64 WeakPolarHBondContact CA-O 3.44Å; L43-P65 HydrophobicContact CD2-CG 4.19Å; L43-P65 HydrophobicContact CG-CB 4.37Å; L43-P65 HydrophobicContact CG-CG 4.46Å; L43-L137 HydrophobicContact CD1-CD1 4.39Å
44	I	85.4	Confident	67.5	Low	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.6	163.1	-67.7	165.8	0	0	0	107.6	I32 I46 G63 Y64 V66 I83 L85 I92 L109	I32-I44 HydrophobicContact CD1-CG2 3.64Å; I32-I44 HydrophobicContact CG1-CG2 3.64Å; I44-I46 HydrophobicContact CG2-CD1 4.39Å; I44-I46 HydrophobicContact CG2-CG1 4.11Å; I44-G63 WeakPolarHBondContact O-CA 3.37Å; I44-Y64 PolarHBondContact N-O 3.41Å; I44-Y64 PolarHBondContact O-N 3.28Å; I44-V66 HydrophobicContact CD1-CG2 3.75Å; I44-V66 HydrophobicContact CG1-CG2 3.64Å; I44-I83 HydrophobicContact CD1-CD1 4.21Å; I44-I83 HydrophobicContact CD1-CG2 4.02Å; I44-L85 HydrophobicContact CD1-CD1 4.4Å; I44-L85 HydrophobicContact CD1-CD2 4.29Å; I44-I92 HydrophobicContact CB-CD1 4.5Å; I44-I92 HydrophobicContact CD1-CD1 4.17Å; I44-I92 HydrophobicContact CG2-CD1 4.01Å; I44-L109 HydrophobicContact CD1-CD2 4.1Å; I44-L109 HydrophobicContact CG1-CD1 4.39Å
45	R	82.3	Confident	65.1	Low	29 Å²	29	65.7 Å²	65.7	11%	0.109	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.6	170.8	172.7	175.9	72.6	-165.5	1.7	109.7	I32 S33 V35 M62 I134 L137 E139	I32-R45 CarbonylContact C-O 3.43Å; I32-R45 WeakPolarHBondContact CA-O 3.23Å; S33-R45 PolarHBondContact N-O 3.24Å; S33-R45 PolarHBondContact O-N 2.87Å; S33-R45 PolarHBondContact OG-NE 3.05Å; V35-R45 HydrophobicContact CG1-CB 4.32Å; V35-R45 VanDerWaalsContact CG1-CZ 3.45Å; V35-R45 HydrophobicContact CG2-CB 3.83Å; R45-M62 CarbonylContact C-O 3.55Å; R45-M62 VanDerWaalsContact CA-O 3.32Å; R45-M62 WeakPolarHBondContact CA-O 3.3Å; R45-I134 HydrophobicContact CB-CG2 4.31Å; R45-I134 WeakPolarHBondContact CD-O 3.33Å; R45-I134 HydrophobicContact CG-CG2 3.77Å; R45-I134 PolarHBondContact NH1-O 2.99Å; R45-L137 PolarHBondContact NH1-O 2.86Å; R45-E139 IonicContact NH2-OE1 3.42Å; R45-E139 PolarHBondContact NH2-OE1 2.87Å; R45-E139 VanDerWaalsContact NH2-OE1 3.13Å
46	I	85.5	Confident	62.8	Low	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.8	175.7	-58.1	163.4	0	0	0	108.1	V9 I11 L27 I32 I44 S61 M62 Y64 I92	V9-I46 HydrophobicContact CG1-CD1 4.11Å; I11-I46 HydrophobicContact CD1-CD1 3.6Å; I11-I46 HydrophobicContact CD1-CG2 4.47Å; I11-I46 HydrophobicContact CG1-CD1 4.06Å; L27-I46 HydrophobicContact CD1-CG2 3.73Å; I32-I46 HydrophobicContact CB-CG1 4.43Å; I32-I46 HydrophobicContact CD1-CG1 4.4Å; I32-I46 HydrophobicContact CG1-CG1 4.01Å; I44-I46 HydrophobicContact CG2-CD1 4.39Å; I44-I46 HydrophobicContact CG2-CG1 4.11Å; I46-S61 WeakPolarHBondContact O-CA 3.28Å; I46-M62 PolarHBondContact N-O 3.3Å; I46-M62 PolarHBondContact O-N 2.91Å; I46-Y64 HydrophobicContact CD1-CD2 4.35Å; I46-Y64 HydrophobicContact CD1-CE2 4.32Å; I46-I92 HydrophobicContact CD1-CD1 4.22Å; I46-I92 HydrophobicContact CD1-CG2 4.07Å
47	T	82.7	Confident	61	Low	38 Å²	38	79.5 Å²	79.5	23%	0.233	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.4	-178.1	-58.1	0	0	0	0	109.7	S30 Q31 S61	S30-T47 CarbonylContact C-O 3.55Å; S30-T47 VanDerWaalsContact CA-O 3.22Å; S30-T47 WeakPolarHBondContact CA-O 3.47Å; S30-T47 WeakPolarHBondContact CB-O 3.38Å; Q31-T47 PolarHBondContact N-O 3.35Å; Q31-T47 PolarHBondContact O-N 2.99Å; T47-S61 PolarHBondContact OG1-OG 3.46Å
48	P	79.5	Confident	59.9	Low	23 Å²	23	85 Å²	85	15%	0.149	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	141.2	176.7	26.7	-31.1	0	0	0	111.6	L27 K59	L27-P48 HydrophobicContact CD1-CB 4.31Å; L27-P48 HydrophobicContact CD2-CB 4.19Å; P48-K59 HydrophobicContact CB-CB 4.32Å; P48-K59 HydrophobicContact CB-CD 4.4Å; P48-K59 HydrophobicContact CG-CB 3.51Å; P48-K59 HydrophobicContact CG-CD 4.44Å; P48-K59 WeakPolarHBondContact CG-O 3.48Å
49	M	70.5	Confident	59.6	Low	54 Å²	54	85.8 Å²	85.8	27%	0.266	46%	0.464	S	S	.	.			trans	-115.6	52.2	-175.1	-65.1	-74.8	-63.9	0	0	110.9	E29 Q31 N51	E29-M49 HydrophobicContact CB-CB 4.14Å; E29-M49 PolarHBondContact O-N 3.31Å; Q31-M49 HydrophobicContact CB-CG 4.41Å; M49-N51 PolarHBondContact O-N 2.85Å; M49-N51 VanDerWaalsContact O-N 3.08Å
50	D	59.4	Low	59.5	Low	88 Å²	88	89.9 Å²	89.9	47%	0.471	48%	0.477	S	S	.	.			trans	-74.6	99.3	179.4	-73.9	-37.7	0	0	0	110.8	S52 K59	D50-S52 VanDerWaalsContact C-N 3.33Å; D50-K59 WeakPolarHBondContact OD2-CE 3.47Å; D50-K59 IonicContact OD2-NZ 3.75Å; D50-K59 PolarHBondContact OD2-NZ 2.89Å
51	N	46.9	Very low	59.6	Low	154 Å²	154	86.7 Å²	86.7	82%	0.824	47%	0.467	S	S	*	.			trans	-88	11.3	179.9	-108.6	0.9	0	0	0	114.2	M49	M49-N51 PolarHBondContact O-N 2.85Å; M49-N51 VanDerWaalsContact O-N 3.08Å
52	S	40.8	Very low	59.8	Low	89 Å²	89	85.9 Å²	85.9	62%	0.622	46%	0.464	S	S	*	.	S	Bend	trans	-84.7	127.5	179.9	49.3	0	0	0	0	111.6	D50 C54	D50-S52 VanDerWaalsContact C-N 3.33Å; S52-C54 PolarHBondContact O-N 2.76Å
53	G	39.4	Very low	59.8	Low	87 Å²	87	86.9 Å²	86.9	90%	0.897	48%	0.475	S	S	*	.			trans	-68.5	32.1	-169.1	0	0	0	0	0	118.3
54	C	33.1	Very low	59.8	Low	111 Å²	111	87.1 Å²	87.1	75%	0.75	47%	0.474	S	S	*	.			trans	-86.9	115.3	169.4	-80.4	0	0	0	0	110.6	S52 K56	S52-C54 PolarHBondContact O-N 2.76Å; C54-K56 PolarHBondContact O-N 3.29Å
55	K	31.9	Very low	59.5	Low	218 Å²	218	88.8 Å²	88.8	95%	0.948	49%	0.485	S	S	*	.			trans	-67.9	38.8	180	-67.6	-177.4	172.5	178.9	0	115.2
56	K	29.2	Very low	59.2	Low	190 Å²	190	87.5 Å²	87.5	83%	0.826	48%	0.481	S	S	*	.	S	Bend	trans	-136.4	118.8	179.9	-69.4	-171.7	177.4	-179.3	0	112.5	C54	C54-K56 PolarHBondContact O-N 3.29Å
57	M	32.3	Very low	58.6	Low	176 Å²	176	91 Å²	91	87%	0.867	50%	0.499	S	S	*	.			trans	67.7	95.4	172.4	-61.3	-179.9	65.7	0	0	117.8	K59	M57-K59 PolarHBondContact O-N 2.93Å; M57-K59 VanDerWaalsContact O-N 3.13Å
58	V	40	Very low	58.3	Low	146 Å²	146	92.8 Å²	92.8	89%	0.885	50%	0.504	S	S	*	.			trans	-61.5	109.8	156.4	179.7	0	0	0	0	108.5	K60	V58-K60 PolarHBondContact O-N 3.43Å
59	K	53.4	Low	58.5	Low	109 Å²	109	92.9 Å²	92.9	47%	0.474	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65	123.8	172.5	-71.7	171.5	-172.3	154.6	0	108.9	L27 P48 D50 M57	L27-K59 HydrophobicContact CD2-CD 4.5Å; P48-K59 HydrophobicContact CB-CB 4.32Å; P48-K59 HydrophobicContact CB-CD 4.4Å; P48-K59 HydrophobicContact CG-CB 3.51Å; P48-K59 HydrophobicContact CG-CD 4.44Å; P48-K59 WeakPolarHBondContact CG-O 3.48Å; D50-K59 WeakPolarHBondContact OD2-CE 3.47Å; D50-K59 IonicContact OD2-NZ 3.75Å; D50-K59 PolarHBondContact OD2-NZ 2.89Å; M57-K59 PolarHBondContact O-N 2.93Å; M57-K59 VanDerWaalsContact O-N 3.13Å
60	K	59.6	Low	59.2	Low	189 Å²	189	93.8 Å²	93.8	82%	0.822	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.5	142.4	178.1	-67.6	-175.7	177.3	-177	0	110.4	V58	V58-K60 PolarHBondContact O-N 3.43Å
61	S	68.2	Low	60.4	Low	42 Å²	42	91.2 Å²	91.2	29%	0.294	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-64.5	138	169.7	-62.7	0	0	0	0	109.6	I46 T47	I46-S61 WeakPolarHBondContact O-CA 3.28Å; T47-S61 PolarHBondContact OG1-OG 3.46Å
62	M	75.7	Confident	62.2	Low	41 Å²	41	90 Å²	90	20%	0.202	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.5	-180	-62.9	168	64.3	0	0	109	I11 T25 R45 I46 Y64	I11-M62 HydrophobicContact CD1-CE 3.45Å; I11-M62 VanDerWaalsContact CD1-CE 3.45Å; I11-M62 HydrophobicContact CD1-SD 3.75Å; I11-M62 HydrophobicContact CG2-CE 4.44Å; T25-M62 HydrophobicContact CG2-SD 4.44Å; R45-M62 CarbonylContact C-O 3.55Å; R45-M62 VanDerWaalsContact CA-O 3.32Å; R45-M62 WeakPolarHBondContact CA-O 3.3Å; I46-M62 PolarHBondContact N-O 3.3Å; I46-M62 PolarHBondContact O-N 2.91Å; M62-Y64 HydrophobicContact CB-CE2 4.33Å; M62-Y64 HydrophobicContact CE-CE2 4.06Å; M62-Y64 WeakPolarHBondContact CE-OH 3.33Å
63	G	78.5	Confident	64.3	Low	23 Å²	23	89.9 Å²	89.9	24%	0.237	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.8	179.8	0	0	0	0	0	110.6	I44	I44-G63 WeakPolarHBondContact O-CA 3.37Å
64	Y	82.5	Confident	65.9	Low	22 Å²	22	91.1 Å²	91.1	9%	0.086	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.9	178	-65.7	-72.7	0	0	0	110.5	I11 E13 L43 I44 I46 M62 L85 V90 I92	I11-Y64 HydrophobicContact CD1-CE2 4.37Å; I11-Y64 HydrophobicContact CG2-CE2 3.89Å; I11-Y64 WeakPolarHBondContact CG2-OH 3.48Å; E13-Y64 PolarHBondContact OE1-OH 2.89Å; L43-Y64 CarbonylContact C-O 3.57Å; L43-Y64 VanDerWaalsContact CA-O 3.28Å; L43-Y64 WeakPolarHBondContact CA-O 3.44Å; I44-Y64 PolarHBondContact N-O 3.41Å; I44-Y64 PolarHBondContact O-N 3.28Å; I46-Y64 HydrophobicContact CD1-CD2 4.35Å; I46-Y64 HydrophobicContact CD1-CE2 4.32Å; M62-Y64 HydrophobicContact CB-CE2 4.33Å; M62-Y64 HydrophobicContact CE-CE2 4.06Å; M62-Y64 WeakPolarHBondContact CE-OH 3.33Å; Y64-L85 HydrophobicContact CG-CD1 4.31Å; Y64-V90 HydrophobicContact CD1-CB 4.39Å; Y64-V90 HydrophobicContact CD1-CG1 4.21Å; Y64-V90 HydrophobicContact CD1-CG2 3.83Å; Y64-V90 HydrophobicContact CD2-CG1 4.49Å; Y64-V90 HydrophobicContact CE1-CB 4.4Å; Y64-V90 HydrophobicContact CE1-CG1 4.01Å; Y64-V90 HydrophobicContact CE1-CG2 3.63Å; Y64-V90 HydrophobicContact CE2-CG1 4.3Å; Y64-V90 HydrophobicContact CG-CG1 4.44Å; Y64-I92 HydrophobicContact CD2-CD1 4.01Å
65	P	77.7	Confident	68	Low	35 Å²	35	91.1 Å²	91.1	23%	0.227	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	149.7	175	-12.5	25.9	0	0	0	112.4	L43 H88	L43-P65 HydrophobicContact CD2-CG 4.19Å; L43-P65 HydrophobicContact CG-CB 4.37Å; L43-P65 HydrophobicContact CG-CG 4.46Å; P65-H88 WeakPolarHBondContact CB-NE2 3.46Å; P65-H88 PolarHBondContact O-CD2 3.07Å; P65-H88 PolarHBondContact O-NE2 3.27Å
66	V	76.9	Confident	70.2	Confident	2 Å²	2	81.9 Å²	81.9	1%	0.012	41%	0.407	C	S	.	.			trans	-114.2	72.4	-178.2	-170.6	0	0	0	0	109.5	I42 I44 L69 L85 C113	I42-V66 HydrophobicContact CB-CB 4.33Å; I42-V66 HydrophobicContact CG2-CB 4.17Å; I42-V66 HydrophobicContact CG2-CG2 4.04Å; I42-V66 WeakPolarHBondContact O-CB 3.45Å; I42-V66 PolarHBondContact O-N 3.43Å; I44-V66 HydrophobicContact CD1-CG2 3.75Å; I44-V66 HydrophobicContact CG1-CG2 3.64Å; V66-L69 HydrophobicContact CG1-CB 3.89Å; V66-L69 HydrophobicContact CG1-CD1 3.79Å; V66-L69 HydrophobicContact CG1-CG 4.28Å; V66-L85 HydrophobicContact CG1-CD2 4.19Å; V66-L85 HydrophobicContact CG2-CD2 4.22Å; V66-C113 HydrophobicContact CG1-CB 4.39Å
67	I	72.4	Confident	72.2	Confident	75 Å²	75	76.9 Å²	76.9	39%	0.385	40%	0.396	S	S	.	.	S	Bend	trans	-75.7	-41.7	173	-57.9	170.8	0	0	0	109.8	V87 K117	I67-V87 HydrophobicContact CB-CB 4.37Å; I67-V87 HydrophobicContact CB-CG2 4.14Å; I67-V87 HydrophobicContact CD1-CB 4.47Å; I67-V87 HydrophobicContact CD1-CG1 3.8Å; I67-V87 HydrophobicContact CG2-CG2 4.01Å; I67-K117 WeakPolarHBondContact O-CE 3.44Å
68	E	76.6	Confident	74.1	Confident	75 Å²	75	72.3 Å²	72.3	35%	0.35	37%	0.373	S	S	.	.	S	Bend	trans	-140.2	148.7	176.7	-172.6	144.5	-101.1	0	0	110.4	L85 P86 V87 K117	E68-L85 WeakPolarHBondContact O-CD2 3.48Å; E68-P86 HydrophobicContact CG-CG 4.08Å; E68-V87 HydrophobicContact CB-CG2 4Å; E68-K117 IonicContact OE1-NZ 2.77Å; E68-K117 PolarHBondContact OE1-NZ 2.72Å
69	L	83.6	Confident	75.9	Confident	24 Å²	24	65.4 Å²	65.4	13%	0.126	33%	0.331	C	S	.	.			trans	-147.9	105.2	-163.7	-176.8	82	0	0	0	111.8	V66 L71 I83 L85 L109 C113	V66-L69 HydrophobicContact CG1-CB 3.89Å; V66-L69 HydrophobicContact CG1-CD1 3.79Å; V66-L69 HydrophobicContact CG1-CG 4.28Å; L69-L71 HydrophobicContact CD1-CD2 3.94Å; L69-L71 HydrophobicContact CD2-CD1 4.03Å; L69-L71 HydrophobicContact CD2-CD2 4.12Å; L69-L71 HydrophobicContact CD2-CG 4.07Å; L69-L71 HydrophobicContact CG-CD2 3.87Å; L69-L71 HydrophobicContact CG-CG 4.02Å; L69-I83 HydrophobicContact CD1-CG2 3.43Å; L69-I83 VanDerWaalsContact CD1-CG2 3.43Å; L69-L85 HydrophobicContact CD1-CD2 3.99Å; L69-L109 HydrophobicContact CD1-CD2 3.78Å; L69-L109 HydrophobicContact CD1-CG 4.25Å; L69-L109 HydrophobicContact CD2-CD2 4.12Å; L69-L109 HydrophobicContact CD2-CG 3.87Å; L69-C113 HydrophobicContact CD2-CB 4.21Å
70	D	84.6	Confident	77.5	Confident	74 Å²	74	64.2 Å²	64.2	40%	0.396	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135	169.6	-66.5	-46.4	0	0	0	110.7	Y72 C84 P86	D70-Y72 HydrophobicContact CB-CE2 4.22Å; D70-C84 HydrophobicContact CB-CB 4.1Å; D70-C84 PolarHBondContact N-O 3.09Å; D70-C84 PolarHBondContact O-N 3.31Å; D70-P86 VanDerWaalsContact OD2-CG 3.27Å; D70-P86 WeakPolarHBondContact OD2-CG 3.38Å
71	L	85.4	Confident	79	Confident	33 Å²	33	55.5 Å²	55.5	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	104.1	-170.6	-64.4	-175.1	0	0	0	111.8	L69 I83 L106 R110	L69-L71 HydrophobicContact CD1-CD2 3.94Å; L69-L71 HydrophobicContact CD2-CD1 4.03Å; L69-L71 HydrophobicContact CD2-CD2 4.12Å; L69-L71 HydrophobicContact CD2-CG 4.07Å; L69-L71 HydrophobicContact CG-CD2 3.87Å; L69-L71 HydrophobicContact CG-CG 4.02Å; L71-I83 HydrophobicContact CD2-CB 4.23Å; L71-I83 HydrophobicContact CD2-CG1 3.79Å; L71-I83 HydrophobicContact CD2-CG2 4.05Å; L71-L106 HydrophobicContact CD1-CB 4.41Å; L71-L106 HydrophobicContact CD2-CD2 4.02Å; L71-R110 HydrophobicContact CD1-CB 3.92Å; L71-R110 HydrophobicContact CD1-CG 4.3Å
72	Y	85.4	Confident	80	Confident	130 Å²	130	55.1 Å²	55.1	51%	0.51	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.1	175.3	-59.8	-93.2	0	0	0	110.2	D70 T82 C84	D70-Y72 HydrophobicContact CB-CE2 4.22Å; Y72-T82 PolarHBondContact N-O 3.02Å; Y72-T82 PolarHBondContact O-N 3.21Å; Y72-T82 VanDerWaalsContact O-N 3.11Å; Y72-C84 HydrophobicContact CE2-CB 4.24Å
73	K	83.4	Confident	80.7	Confident	85 Å²	85	53.2 Å²	53.2	37%	0.37	28%	0.275	S	S	.	.			trans	-114.6	8.6	-168.4	-63.2	179	-175.7	180	0	114.2	F75 L76	K73-F75 PolarHBondContact O-N 3.2Å; K73-F75 VanDerWaalsContact O-N 3.08Å; K73-L76 HydrophobicContact CB-CB 4.35Å; K73-L76 HydrophobicContact CB-CD2 4.16Å; K73-L76 HydrophobicContact CD-CD2 4.26Å; K73-L76 HydrophobicContact CG-CD2 4.28Å; K73-L76 WeakPolarHBondContact O-CB 3.46Å; K73-L76 PolarHBondContact O-N 3.44Å
74	T	72.9	Confident	81.1	Confident	113 Å²	113	53 Å²	53	69%	0.693	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.1	-171.6	-34	0	0	0	0	113.4
75	F	78.7	Confident	81.3	Confident	112 Å²	112	52.1 Å²	52.1	49%	0.491	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	22.2	-178.1	-56.9	-69.6	0	0	0	113.7	K73 S77 Q78 K80	K73-F75 PolarHBondContact O-N 3.2Å; K73-F75 VanDerWaalsContact O-N 3.08Å; F75-S77 PolarHBondContact O-N 3.16Å; F75-Q78 WeakPolarHBondContact O-CA 3.44Å; F75-Q78 WeakPolarHBondContact O-CB 3.47Å; F75-Q78 PolarHBondContact O-N 3.5Å; F75-K80 CarbonylContact C-O 3.51Å; F75-K80 HydrophobicContact CB-CB 3.74Å; F75-K80 HydrophobicContact CB-CD 4.2Å; F75-K80 PolarHBondContact O-N 3.19Å; F75-K80 VanDerWaalsContact O-O 3.09Å
76	L	77.6	Confident	81.3	Confident	24 Å²	24	52 Å²	52	13%	0.126	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.1	-29.6	-174.5	-174	58.6	0	0	0	113.1	K73 Q78 G79 K80 L102 R103 L106	K73-L76 HydrophobicContact CB-CB 4.35Å; K73-L76 HydrophobicContact CB-CD2 4.16Å; K73-L76 HydrophobicContact CD-CD2 4.26Å; K73-L76 HydrophobicContact CG-CD2 4.28Å; K73-L76 WeakPolarHBondContact O-CB 3.46Å; K73-L76 PolarHBondContact O-N 3.44Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.47Å; L76-G79 PolarHBondContact O-N 2.73Å; L76-K80 VanDerWaalsContact CA-O 3.32Å; L76-K80 WeakPolarHBondContact CA-O 3.41Å; L76-K80 PolarHBondContact N-O 3.32Å; L76-L102 HydrophobicContact CD1-CB 4.12Å; L76-L102 HydrophobicContact CD1-CD2 3.74Å; L76-L102 HydrophobicContact CD1-CG 3.63Å; L76-R103 HydrophobicContact CD1-CG 4.07Å; L76-R103 HydrophobicContact CD2-CG 3.62Å; L76-R103 HydrophobicContact CG-CG 3.76Å; L76-L106 HydrophobicContact CD1-CD1 3.87Å
77	S	70.8	Confident	81.4	Confident	85 Å²	85	55.7 Å²	55.7	59%	0.594	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-65.9	-27.1	171.2	50	0	0	0	0	113.7	F75 G79 P99	F75-S77 PolarHBondContact O-N 3.16Å; S77-G79 VanDerWaalsContact C-N 3.32Å; S77-P99 WeakPolarHBondContact O-CG 3.34Å
78	Q	71.5	Confident	81.5	Confident	80 Å²	80	55.3 Å²	55.3	37%	0.374	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-89.6	6.6	177	-54.7	-177	0.7	0	0	112.8	F75 L76 K80	F75-Q78 WeakPolarHBondContact O-CA 3.44Å; F75-Q78 WeakPolarHBondContact O-CB 3.47Å; F75-Q78 PolarHBondContact O-N 3.5Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.47Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 HydrophobicContact CB-CD 4.27Å; Q78-K80 HydrophobicContact CB-CG 4.41Å; Q78-K80 PolarHBondContact O-N 2.71Å
79	G	79.4	Confident	81.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	25.7	-175.7	0	0	0	0	0	114	L76 S77 S95 N96 C97 L102	L76-G79 PolarHBondContact O-N 2.73Å; S77-G79 VanDerWaalsContact C-N 3.32Å; G79-S95 CarbonylContact O-C 3.6Å; G79-N96 PolarHBondContact O-N 2.71Å; G79-C97 WeakPolarHBondContact CA-O 3.25Å; G79-C97 PolarHBondContact O-N 3.02Å; G79-L102 VanDerWaalsContact C-CD2 3.47Å
80	K	86.8	Confident	81.9	Confident	85 Å²	85	52.1 Å²	52.1	37%	0.37	27%	0.273	S	S	.	.			trans	-121.6	142.5	179.7	-60.1	169.8	-172.2	164.1	0	110.9	F75 L76 Q78 I94	F75-K80 CarbonylContact C-O 3.51Å; F75-K80 HydrophobicContact CB-CB 3.74Å; F75-K80 HydrophobicContact CB-CD 4.2Å; F75-K80 PolarHBondContact O-N 3.19Å; F75-K80 VanDerWaalsContact O-O 3.09Å; L76-K80 VanDerWaalsContact CA-O 3.32Å; L76-K80 WeakPolarHBondContact CA-O 3.41Å; L76-K80 PolarHBondContact N-O 3.32Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 HydrophobicContact CB-CD 4.27Å; Q78-K80 HydrophobicContact CB-CG 4.41Å; Q78-K80 PolarHBondContact O-N 2.71Å; K80-I94 CarbonylContact C-O 3.54Å; K80-I94 WeakPolarHBondContact CA-O 3.48Å
81	A	90.5	Very high	82.1	Confident	6 Å²	6	52.2 Å²	52.2	5%	0.05	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.9	172.8	0	0	0	0	0	110.5	I94 L102 L106	A81-I94 PolarHBondContact N-O 3.5Å; A81-I94 PolarHBondContact O-N 2.95Å; A81-L102 HydrophobicContact CB-CD1 4.43Å; A81-L102 HydrophobicContact CB-CD2 3.96Å; A81-L102 HydrophobicContact CB-CG 4.38Å; A81-L106 HydrophobicContact CB-CD1 3.54Å
82	T	90.2	Very high	82.3	Confident	34 Å²	34	50.7 Å²	50.7	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	174	-54.6	0	0	0	0	109.8	Y72 R91 M93	Y72-T82 PolarHBondContact N-O 3.02Å; Y72-T82 PolarHBondContact O-N 3.21Å; Y72-T82 VanDerWaalsContact O-N 3.11Å; T82-R91 HydrophobicContact CG2-CG 3.38Å; T82-M93 HydrophobicContact CG2-CG 3.88Å
83	I	90	Very high	82.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.1	171	-55.4	179.5	0	0	0	107.2	I44 L69 L71 L85 I92 I94 F105 L106 L109	I44-I83 HydrophobicContact CD1-CD1 4.21Å; I44-I83 HydrophobicContact CD1-CG2 4.02Å; L69-I83 HydrophobicContact CD1-CG2 3.43Å; L69-I83 VanDerWaalsContact CD1-CG2 3.43Å; L71-I83 HydrophobicContact CD2-CB 4.23Å; L71-I83 HydrophobicContact CD2-CG1 3.79Å; L71-I83 HydrophobicContact CD2-CG2 4.05Å; I83-L85 HydrophobicContact CG2-CD2 4.17Å; I83-L85 HydrophobicContact CG2-CG 4.46Å; I83-I92 HydrophobicContact CB-CB 4.29Å; I83-I92 PolarHBondContact N-O 2.81Å; I83-I92 PolarHBondContact O-N 3.16Å; I83-I94 HydrophobicContact CD1-CD1 3.67Å; I83-I94 HydrophobicContact CG1-CD1 4.15Å; I83-F105 HydrophobicContact CD1-CE1 4.17Å; I83-L106 HydrophobicContact CD1-CD2 3.79Å; I83-L106 HydrophobicContact CG1-CD2 3.87Å; I83-L109 HydrophobicContact CD1-CD2 3.92Å
84	C	87.4	Confident	82.9	Confident	20 Å²	20	42.9 Å²	42.9	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.4	169.6	-68.9	0	0	0	0	109.5	D70 Y72	D70-C84 HydrophobicContact CB-CB 4.1Å; D70-C84 PolarHBondContact N-O 3.09Å; D70-C84 PolarHBondContact O-N 3.31Å; Y72-C84 HydrophobicContact CE2-CB 4.24Å
85	L	85.8	Confident	83.6	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	86.3	176.5	-59.7	176.3	0	0	0	107.8	I44 Y64 V66 E68 L69 I83 V87 H88 S89 V90 I92	I44-L85 HydrophobicContact CD1-CD1 4.4Å; I44-L85 HydrophobicContact CD1-CD2 4.29Å; Y64-L85 HydrophobicContact CG-CD1 4.31Å; V66-L85 HydrophobicContact CG1-CD2 4.19Å; V66-L85 HydrophobicContact CG2-CD2 4.22Å; E68-L85 WeakPolarHBondContact O-CD2 3.48Å; L69-L85 HydrophobicContact CD1-CD2 3.99Å; I83-L85 HydrophobicContact CG2-CD2 4.17Å; I83-L85 HydrophobicContact CG2-CG 4.46Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 PolarHBondContact O-N 2.86Å; L85-H88 PolarHBondContact O-N 3.14Å; L85-H88 VanDerWaalsContact O-N 3.15Å; L85-S89 PolarHBondContact O-N 3.4Å; L85-V90 HydrophobicContact CB-CB 4.46Å; L85-V90 PolarHBondContact N-O 3.18Å; L85-V90 PolarHBondContact O-N 3.43Å; L85-I92 HydrophobicContact CD1-CD1 3.97Å
86	P	78.3	Confident	83.8	Confident	33 Å²	33	35 Å²	35	21%	0.214	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-59.4	-34.5	-168	-28	36.7	0	0	0	114.6	E68 D70 H88 S89	E68-P86 HydrophobicContact CG-CG 4.08Å; D70-P86 VanDerWaalsContact OD2-CG 3.27Å; D70-P86 WeakPolarHBondContact OD2-CG 3.38Å; P86-H88 VanDerWaalsContact C-N 3.32Å; P86-H88 PolarHBondContact O-N 3.17Å; P86-S89 PolarHBondContact O-N 2.99Å
87	V	77.8	Confident	84.1	Confident	78 Å²	78	33.9 Å²	33.9	47%	0.473	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-69.5	-29.2	-178.4	-179.2	0	0	0	0	112.5	I67 E68 L85	I67-V87 HydrophobicContact CB-CB 4.37Å; I67-V87 HydrophobicContact CB-CG2 4.14Å; I67-V87 HydrophobicContact CD1-CB 4.47Å; I67-V87 HydrophobicContact CD1-CG1 3.8Å; I67-V87 HydrophobicContact CG2-CG2 4.01Å; E68-V87 HydrophobicContact CB-CG2 4Å; L85-V87 VanDerWaalsContact C-N 3.28Å; L85-V87 PolarHBondContact O-N 2.86Å
88	H	76	Confident	84.7	Confident	68 Å²	68	30.5 Å²	30.5	32%	0.315	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-101.1	-0.7	-179.9	-59.9	-56.9	0	0	0	113	P65 L85 P86 V90	P65-H88 WeakPolarHBondContact CB-NE2 3.46Å; P65-H88 PolarHBondContact O-CD2 3.07Å; P65-H88 PolarHBondContact O-NE2 3.27Å; L85-H88 PolarHBondContact O-N 3.14Å; L85-H88 VanDerWaalsContact O-N 3.15Å; P86-H88 VanDerWaalsContact C-N 3.32Å; P86-H88 PolarHBondContact O-N 3.17Å; H88-V90 VanDerWaalsContact C-N 3.26Å; H88-V90 HydrophobicContact CB-CG2 4.04Å; H88-V90 WeakPolarHBondContact O-CG2 3.24Å; H88-V90 PolarHBondContact O-N 2.85Å
89	S	83.1	Confident	85.1	Confident	25 Å²	25	27.2 Å²	27.2	18%	0.175	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	40.2	-172.2	-69.4	0	0	0	0	112.7	L14 L85 P86	L14-S89 WeakPolarHBondContact CB-O 3.42Å; L14-S89 PolarHBondContact N-O 3.28Å; L85-S89 PolarHBondContact O-N 3.4Å; P86-S89 PolarHBondContact O-N 2.99Å
90	V	85	Confident	85	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.042	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.4	-178.8	-178.3	0	0	0	0	111.7	I11 E12 E13 Y64 L85 H88 I92	I11-V90 HydrophobicContact CG2-CG1 3.87Å; E12-V90 WeakPolarHBondContact O-CA 3.46Å; E13-V90 HydrophobicContact CG-CG2 4.38Å; Y64-V90 HydrophobicContact CD1-CB 4.39Å; Y64-V90 HydrophobicContact CD1-CG1 4.21Å; Y64-V90 HydrophobicContact CD1-CG2 3.83Å; Y64-V90 HydrophobicContact CD2-CG1 4.49Å; Y64-V90 HydrophobicContact CE1-CB 4.4Å; Y64-V90 HydrophobicContact CE1-CG1 4.01Å; Y64-V90 HydrophobicContact CE1-CG2 3.63Å; Y64-V90 HydrophobicContact CE2-CG1 4.3Å; Y64-V90 HydrophobicContact CG-CG1 4.44Å; L85-V90 HydrophobicContact CB-CB 4.46Å; L85-V90 PolarHBondContact N-O 3.18Å; L85-V90 PolarHBondContact O-N 3.43Å; H88-V90 VanDerWaalsContact C-N 3.26Å; H88-V90 HydrophobicContact CB-CG2 4.04Å; H88-V90 WeakPolarHBondContact O-CG2 3.24Å; H88-V90 PolarHBondContact O-N 2.85Å; V90-I92 HydrophobicContact CG1-CD1 4.5Å; V90-I92 HydrophobicContact CG1-CG1 3.88Å
91	R	88.5	Confident	84.8	Confident	76 Å²	76	31.6 Å²	31.6	29%	0.287	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.5	171.3	-178.7	-170.8	-60.8	143.1	-2.8	109.7	E12 T82 M93	E12-R91 HydrophobicContact CB-CB 4.24Å; E12-R91 PolarHBondContact N-O 3.35Å; E12-R91 PolarHBondContact O-N 2.89Å; E12-R91 IonicContact OE2-CZ 3.71Å; E12-R91 IonicContact OE2-NH1 3.69Å; E12-R91 PolarHBondContact OE2-NH1 2.93Å; T82-R91 HydrophobicContact CG2-CG 3.38Å; R91-M93 HydrophobicContact CG-CG 4.21Å
92	I	89.7	Confident	84.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	104.1	179.4	-53.3	170.9	0	0	0	108	V9 I32 I44 I46 Y64 I83 L85 V90 I94	V9-I92 HydrophobicContact CG1-CG2 3.53Å; I32-I92 HydrophobicContact CD1-CG2 4.36Å; I44-I92 HydrophobicContact CB-CD1 4.5Å; I44-I92 HydrophobicContact CD1-CD1 4.17Å; I44-I92 HydrophobicContact CG2-CD1 4.01Å; I46-I92 HydrophobicContact CD1-CD1 4.22Å; I46-I92 HydrophobicContact CD1-CG2 4.07Å; Y64-I92 HydrophobicContact CD2-CD1 4.01Å; I83-I92 HydrophobicContact CB-CB 4.29Å; I83-I92 PolarHBondContact N-O 2.81Å; I83-I92 PolarHBondContact O-N 3.16Å; L85-I92 HydrophobicContact CD1-CD1 3.97Å; V90-I92 HydrophobicContact CG1-CD1 4.5Å; V90-I92 HydrophobicContact CG1-CG1 3.88Å; I92-I94 HydrophobicContact CG2-CG1 4.32Å
93	M	90.1	Very high	84.3	Confident	48 Å²	48	35.7 Å²	35.7	24%	0.236	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.4	175.7	-61.1	-174.9	-67.3	0	0	109.6	V9 V10 E12 T82 R91	V9-M93 WeakPolarHBondContact CA-O 3.48Å; V10-M93 HydrophobicContact CB-CB 4.34Å; V10-M93 HydrophobicContact CB-CE 3.88Å; V10-M93 HydrophobicContact CG1-CE 3.6Å; V10-M93 PolarHBondContact N-O 3.26Å; V10-M93 PolarHBondContact O-N 3.19Å; E12-M93 VanDerWaalsContact CD-CE 3.48Å; E12-M93 HydrophobicContact CG-CE 4.16Å; E12-M93 WeakPolarHBondContact OE1-CE 3.31Å; T82-M93 HydrophobicContact CG2-CG 3.88Å; R91-M93 HydrophobicContact CG-CG 4.21Å
94	I	90.5	Very high	83.9	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.7	178.2	-56.3	171.9	0	0	0	108.5	C7 I32 K80 A81 I83 I92 C97 L102	C7-I94 HydrophobicContact CB-CG2 3.83Å; I32-I94 HydrophobicContact CD1-CD1 3.75Å; I32-I94 HydrophobicContact CD1-CG1 4.25Å; K80-I94 CarbonylContact C-O 3.54Å; K80-I94 WeakPolarHBondContact CA-O 3.48Å; A81-I94 PolarHBondContact N-O 3.5Å; A81-I94 PolarHBondContact O-N 2.95Å; I83-I94 HydrophobicContact CD1-CD1 3.67Å; I83-I94 HydrophobicContact CG1-CD1 4.15Å; I92-I94 HydrophobicContact CG2-CG1 4.32Å; I94-C97 HydrophobicContact CG2-CB 4.28Å; I94-L102 HydrophobicContact CB-CD1 4.49Å; I94-L102 HydrophobicContact CD1-CD1 4.15Å; I94-L102 HydrophobicContact CG2-CD1 3.94Å
95	S	88.8	Confident	83.9	Confident	38 Å²	38	38.4 Å²	38.4	27%	0.266	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	167.8	176.2	56.7	0	0	0	0	110.6	C7 S8 G79 C97	C7-S95 VanDerWaalsContact CB-O 3.27Å; C7-S95 WeakPolarHBondContact CB-O 3.47Å; S8-S95 WeakPolarHBondContact CB-OG 3.26Å; S8-S95 PolarHBondContact N-O 3.05Å; S8-S95 PolarHBondContact O-N 3.04Å; S8-S95 VanDerWaalsContact O-O 3.13Å; S8-S95 PolarHBondContact O-OG 3.18Å; G79-S95 CarbonylContact O-C 3.6Å; S95-C97 VanDerWaalsContact C-N 3.28Å; S95-C97 PolarHBondContact O-N 3.17Å
96	N	83.1	Confident	83.9	Confident	21 Å²	21	38.4 Å²	38.4	11%	0.112	19%	0.189	C	C	.	.	S	Bend	trans	51.2	41	-176.6	-166.7	20.5	0	0	0	114.7	G79 P264 E265	G79-N96 PolarHBondContact O-N 2.71Å; N96-P264 WeakPolarHBondContact OD1-CD 3.43Å; N96-E265 HydrophobicContact CB-CB 3.93Å; N96-E265 WeakPolarHBondContact CB-OE2 3.26Å; N96-E265 VanDerWaalsContact CG-OE2 3.3Å; N96-E265 VanDerWaalsContact ND2-CB 3.34Å; N96-E265 WeakPolarHBondContact ND2-CB 3.35Å; N96-E265 PolarHBondContact ND2-OE2 2.99Å; N96-E265 WeakPolarHBondContact OD1-CB 3.48Å; N96-E265 PolarHBondContact OD1-N 3.02Å; N96-E265 VanDerWaalsContact OD1-N 3.14Å
97	C	84	Confident	84.2	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.007	19%	0.194	C	C	.	.			trans	-108	139.6	172.1	-165	0	0	0	0	110.5	C7 G79 I94 S95 P99 L102	C7-C97 HydrophobicContact CB-CB 4.02Å; G79-C97 WeakPolarHBondContact CA-O 3.25Å; G79-C97 PolarHBondContact O-N 3.02Å; I94-C97 HydrophobicContact CG2-CB 4.28Å; S95-C97 VanDerWaalsContact C-N 3.28Å; S95-C97 PolarHBondContact O-N 3.17Å; C97-P99 WeakPolarHBondContact O-CD 3.47Å; C97-L102 HydrophobicContact CB-CB 4.13Å; C97-L102 HydrophobicContact CB-CD1 4.43Å; C97-L102 HydrophobicContact CB-CD2 4.22Å; C97-L102 HydrophobicContact CB-CG 4.49Å
98	P	81.3	Confident	84.5	Confident	13 Å²	13	34.7 Å²	34.7	8%	0.084	17%	0.172	C	C	.	.			trans	-53.4	120.9	169.7	-28	36.6	0	0	0	111	D100 K101 L102 G260	P98-D100 VanDerWaalsContact C-N 3.26Å; P98-D100 PolarHBondContact O-N 2.86Å; P98-D100 VanDerWaalsContact O-N 3.09Å; P98-K101 HydrophobicContact CB-CB 4.34Å; P98-K101 HydrophobicContact CB-CD 4.26Å; P98-K101 HydrophobicContact CB-CG 4.18Å; P98-K101 HydrophobicContact CG-CD 4.27Å; P98-K101 PolarHBondContact O-N 3.09Å; P98-L102 PolarHBondContact O-N 3.18Å; P98-G260 CarbonylContact C-O 3.52Å; P98-G260 WeakPolarHBondContact CB-O 3.48Å
99	P	80.7	Confident	84.8	Confident	12 Å²	12	31.6 Å²	31.6	8%	0.078	16%	0.158	C	C	.	.	H	α-helix	trans	-50.7	-39	-169.7	-32.6	35.4	0	0	0	115.2	S77 C97 L102 R103	S77-P99 WeakPolarHBondContact O-CG 3.34Å; C97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-L102 PolarHBondContact O-N 3.12Å; P99-R103 WeakPolarHBondContact O-CB 3.45Å; P99-R103 VanDerWaalsContact O-CG 3.29Å; P99-R103 WeakPolarHBondContact O-CG 3.26Å; P99-R103 PolarHBondContact O-N 3.09Å
100	D	77.8	Confident	84.9	Confident	61 Å²	61	37 Å²	37	33%	0.326	17%	0.174	S	C	.	.	H	α-helix	trans	-76.2	-33.5	-177.6	-66.3	-33.3	0	0	0	112.6	P98 R103 F104	P98-D100 VanDerWaalsContact C-N 3.26Å; P98-D100 PolarHBondContact O-N 2.86Å; P98-D100 VanDerWaalsContact O-N 3.09Å; D100-R103 IonicContact OD1-CZ 3.52Å; D100-R103 IonicContact OD1-NH1 2.73Å; D100-R103 PolarHBondContact OD1-NH1 3.09Å; D100-F104 WeakPolarHBondContact O-CB 3.35Å; D100-F104 PolarHBondContact O-N 3.02Å
101	K	82.6	Confident	84.7	Confident	116 Å²	116	39.6 Å²	39.6	50%	0.504	19%	0.19	S	C	.	.	H	α-helix	trans	-66.2	-42.1	170.3	-63.9	-170.5	177.9	-177.3	0	110.7	L5 P98 F104 F105	L5-K101 HydrophobicContact CD2-CB 3.56Å; P98-K101 HydrophobicContact CB-CB 4.34Å; P98-K101 HydrophobicContact CB-CD 4.26Å; P98-K101 HydrophobicContact CB-CG 4.18Å; P98-K101 HydrophobicContact CG-CD 4.27Å; P98-K101 PolarHBondContact O-N 3.09Å; K101-F104 PolarHBondContact O-N 3.12Å; K101-F105 WeakPolarHBondContact O-CB 3.25Å; K101-F105 PolarHBondContact O-N 3.2Å
102	L	85.7	Confident	84.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-44.5	176.9	-172.8	57.6	0	0	0	111.7	L5 L76 G79 A81 I94 C97 P98 P99 F104 F105 L106	L5-L102 HydrophobicContact CD1-CD1 3.81Å; L76-L102 HydrophobicContact CD1-CB 4.12Å; L76-L102 HydrophobicContact CD1-CD2 3.74Å; L76-L102 HydrophobicContact CD1-CG 3.63Å; G79-L102 VanDerWaalsContact C-CD2 3.47Å; A81-L102 HydrophobicContact CB-CD1 4.43Å; A81-L102 HydrophobicContact CB-CD2 3.96Å; A81-L102 HydrophobicContact CB-CG 4.38Å; I94-L102 HydrophobicContact CB-CD1 4.49Å; I94-L102 HydrophobicContact CD1-CD1 4.15Å; I94-L102 HydrophobicContact CG2-CD1 3.94Å; C97-L102 HydrophobicContact CB-CB 4.13Å; C97-L102 HydrophobicContact CB-CD1 4.43Å; C97-L102 HydrophobicContact CB-CD2 4.22Å; C97-L102 HydrophobicContact CB-CG 4.49Å; P98-L102 PolarHBondContact O-N 3.18Å; P99-L102 PolarHBondContact O-N 3.12Å; L102-F104 PolarHBondContact O-N 2.86Å; L102-F105 PolarHBondContact O-N 3.36Å; L102-L106 HydrophobicContact CD1-CD1 3.93Å; L102-L106 HydrophobicContact CD1-CG 4.04Å; L102-L106 HydrophobicContact CG-CD1 3.89Å; L102-L106 HydrophobicContact CG-CG 4.4Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 VanDerWaalsContact O-CG 3.22Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 2.96Å
103	R	83.2	Confident	83.7	Confident	125 Å²	125	37.6 Å²	37.6	47%	0.472	19%	0.185	S	C	.	.	H	α-helix	trans	-54.7	-50.2	171.7	-78.7	163.6	173.9	168.8	-4.6	112	L76 P99 D100 G107	L76-R103 HydrophobicContact CD1-CG 4.07Å; L76-R103 HydrophobicContact CD2-CG 3.62Å; L76-R103 HydrophobicContact CG-CG 3.76Å; P99-R103 WeakPolarHBondContact O-CB 3.45Å; P99-R103 VanDerWaalsContact O-CG 3.29Å; P99-R103 WeakPolarHBondContact O-CG 3.26Å; P99-R103 PolarHBondContact O-N 3.09Å; D100-R103 IonicContact OD1-CZ 3.52Å; D100-R103 IonicContact OD1-NH1 2.73Å; D100-R103 PolarHBondContact OD1-NH1 3.09Å; R103-G107 PolarHBondContact O-N 3.34Å
104	F	83.6	Confident	83	Confident	76 Å²	76	41.6 Å²	41.6	33%	0.333	20%	0.201	S	C	.	.	H	α-helix	trans	-63.9	-43.4	-177.9	-177.5	-98.9	0	0	0	112.5	L3 D100 K101 L102 T108 P142 F208	L3-F104 HydrophobicContact CD1-CE1 4.17Å; D100-F104 WeakPolarHBondContact O-CB 3.35Å; D100-F104 PolarHBondContact O-N 3.02Å; K101-F104 PolarHBondContact O-N 3.12Å; L102-F104 PolarHBondContact O-N 2.86Å; F104-T108 WeakPolarHBondContact O-CB 3.27Å; F104-T108 PolarHBondContact O-N 3.15Å; F104-T108 PolarHBondContact O-OG1 3.4Å; F104-P142 HydrophobicContact CE1-CB 4.01Å; F104-P142 HydrophobicContact CZ-CB 3.85Å; F104-F208 HydrophobicContact CZ-CE1 4.39Å
105	F	86.2	Confident	82.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-52.8	175.6	177.4	-91.4	0	0	0	111.8	L3 L5 I32 I83 K101 L102 G107 T108 L109	L3-F105 HydrophobicContact CD2-CD2 3.72Å; L3-F105 HydrophobicContact CD2-CE2 3.9Å; L3-F105 HydrophobicContact CG-CD2 3.93Å; L3-F105 HydrophobicContact CG-CE2 4.4Å; L3-F105 WeakPolarHBondContact O-CE2 3.46Å; L5-F105 HydrophobicContact CD1-CB 3.53Å; L5-F105 HydrophobicContact CD1-CD1 3.65Å; L5-F105 HydrophobicContact CD1-CD2 3.86Å; L5-F105 HydrophobicContact CD1-CE1 4.31Å; L5-F105 HydrophobicContact CD1-CE2 4.48Å; L5-F105 HydrophobicContact CD1-CG 3.41Å; L5-F105 VanDerWaalsContact CD1-CG 3.41Å; L5-F105 HydrophobicContact CD2-CB 3.99Å; L5-F105 HydrophobicContact CD2-CG 4.46Å; L5-F105 HydrophobicContact CG-CB 3.88Å; L5-F105 HydrophobicContact CG-CD1 4.48Å; L5-F105 HydrophobicContact CG-CD2 3.78Å; L5-F105 HydrophobicContact CG-CE2 4.45Å; L5-F105 HydrophobicContact CG-CG 3.81Å; I32-F105 HydrophobicContact CD1-CE1 4.24Å; I32-F105 HydrophobicContact CD1-CZ 4.09Å; I32-F105 HydrophobicContact CG1-CZ 3.98Å; I32-F105 HydrophobicContact CG2-CZ 4.36Å; I83-F105 HydrophobicContact CD1-CE1 4.17Å; K101-F105 WeakPolarHBondContact O-CB 3.25Å; K101-F105 PolarHBondContact O-N 3.2Å; L102-F105 PolarHBondContact O-N 3.36Å; F105-G107 VanDerWaalsContact C-N 3.33Å; F105-G107 PolarHBondContact O-N 3.37Å; F105-T108 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CE1-CD2 4.18Å; F105-L109 VanDerWaalsContact O-CB 3.3Å; F105-L109 WeakPolarHBondContact O-CB 3.21Å; F105-L109 PolarHBondContact O-N 3.4Å
106	L	87	Confident	81.2	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-35.7	-179.1	-65.9	174.6	0	0	0	112.4	L71 L76 A81 I83 L102 R110	L71-L106 HydrophobicContact CD1-CB 4.41Å; L71-L106 HydrophobicContact CD2-CD2 4.02Å; L76-L106 HydrophobicContact CD1-CD1 3.87Å; A81-L106 HydrophobicContact CB-CD1 3.54Å; I83-L106 HydrophobicContact CD1-CD2 3.79Å; I83-L106 HydrophobicContact CG1-CD2 3.87Å; L102-L106 HydrophobicContact CD1-CD1 3.93Å; L102-L106 HydrophobicContact CD1-CG 4.04Å; L102-L106 HydrophobicContact CG-CD1 3.89Å; L102-L106 HydrophobicContact CG-CG 4.4Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 VanDerWaalsContact O-CG 3.22Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 2.96Å; L106-R110 WeakPolarHBondContact O-CB 3.16Å; L106-R110 PolarHBondContact O-N 3.41Å
107	G	84	Confident	80.3	Confident	30 Å²	30	46.9 Å²	46.9	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-49.9	172.4	0	0	0	0	0	111.7	R103 F105 R110 T111	R103-G107 PolarHBondContact O-N 3.34Å; F105-G107 VanDerWaalsContact C-N 3.33Å; F105-G107 PolarHBondContact O-N 3.37Å; G107-R110 PolarHBondContact O-N 2.98Å; G107-T111 PolarHBondContact O-N 3.12Å; G107-T111 VanDerWaalsContact O-N 3.08Å; G107-T111 PolarHBondContact O-OG1 2.85Å; G107-T111 VanDerWaalsContact O-OG1 3.13Å
108	T	83	Confident	79	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-44.5	178.6	-60.2	0	0	0	0	112.2	L3 F104 F105 T111 K112 L143	L3-T108 HydrophobicContact CD1-CG2 3.47Å; L3-T108 VanDerWaalsContact CD1-CG2 3.47Å; L3-T108 HydrophobicContact CD2-CG2 4.09Å; L3-T108 HydrophobicContact CG-CG2 4.45Å; F104-T108 WeakPolarHBondContact O-CB 3.27Å; F104-T108 PolarHBondContact O-N 3.15Å; F104-T108 PolarHBondContact O-OG1 3.4Å; F105-T108 PolarHBondContact O-N 3.44Å; T108-T111 PolarHBondContact O-N 2.98Å; T108-K112 HydrophobicContact CG2-CD 4.33Å; T108-K112 WeakPolarHBondContact O-CB 3.48Å; T108-K112 PolarHBondContact O-N 2.94Å; T108-L143 HydrophobicContact CG2-CG 4.09Å
109	L	83.9	Confident	77.7	Confident	3 Å²	3	58 Å²	58	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-46.8	177.8	-173.4	68.9	0	0	0	111.3	A34 I42 I44 L69 I83 F105 K112 C113	A34-L109 HydrophobicContact CB-CD1 4.13Å; I42-L109 HydrophobicContact CG2-CD1 4.03Å; I44-L109 HydrophobicContact CD1-CD2 4.1Å; I44-L109 HydrophobicContact CG1-CD1 4.39Å; L69-L109 HydrophobicContact CD1-CD2 3.78Å; L69-L109 HydrophobicContact CD1-CG 4.25Å; L69-L109 HydrophobicContact CD2-CD2 4.12Å; L69-L109 HydrophobicContact CD2-CG 3.87Å; I83-L109 HydrophobicContact CD1-CD2 3.92Å; F105-L109 HydrophobicContact CE1-CD2 4.18Å; F105-L109 VanDerWaalsContact O-CB 3.3Å; F105-L109 WeakPolarHBondContact O-CB 3.21Å; F105-L109 PolarHBondContact O-N 3.4Å; L109-K112 PolarHBondContact O-N 3.3Å; L109-C113 VanDerWaalsContact O-CB 3.3Å; L109-C113 WeakPolarHBondContact O-CB 3.43Å; L109-C113 PolarHBondContact O-N 2.98Å
110	R	83.9	Confident	76.3	Confident	137 Å²	137	62.2 Å²	62.2	52%	0.517	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-47.2	177.5	-165.8	-174.9	-166.5	-166.2	7.2	112	L71 L106 G107 K114	L71-R110 HydrophobicContact CD1-CB 3.92Å; L71-R110 HydrophobicContact CD1-CG 4.3Å; L106-R110 WeakPolarHBondContact O-CB 3.16Å; L106-R110 PolarHBondContact O-N 3.41Å; G107-R110 PolarHBondContact O-N 2.98Å; R110-K114 PolarHBondContact O-N 3.14Å; R110-K114 VanDerWaalsContact O-N 3.13Å
111	T	81.3	Confident	74.8	Confident	63 Å²	63	66.6 Å²	66.6	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-44.6	-178.8	-56.2	0	0	0	0	111.2	G107 T108 K114 T115 L143	G107-T111 PolarHBondContact O-N 3.12Å; G107-T111 VanDerWaalsContact O-N 3.08Å; G107-T111 PolarHBondContact O-OG1 2.85Å; G107-T111 VanDerWaalsContact O-OG1 3.13Å; T108-T111 PolarHBondContact O-N 2.98Å; T111-K114 WeakPolarHBondContact O-CB 3.28Å; T111-K114 PolarHBondContact O-N 3.02Å; T111-T115 PolarHBondContact O-N 3.48Å; T111-T115 PolarHBondContact O-OG1 2.88Å; T111-T115 VanDerWaalsContact O-OG1 3.08Å; T111-L143 HydrophobicContact CG2-CD1 4.07Å; T111-L143 HydrophobicContact CG2-CD2 3.66Å
112	K	80.2	Confident	72.8	Confident	25 Å²	25	69.6 Å²	69.6	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-70.4	-33.4	-179.4	-75.2	-165	155.6	-163.9	0	113.5	I42 T108 L109 T115 Q116 V140 S141 L143	I42-K112 VanDerWaalsContact CD1-C 3.49Å; I42-K112 HydrophobicContact CD1-CB 3.66Å; T108-K112 HydrophobicContact CG2-CD 4.33Å; T108-K112 WeakPolarHBondContact O-CB 3.48Å; T108-K112 PolarHBondContact O-N 2.94Å; L109-K112 PolarHBondContact O-N 3.3Å; K112-T115 PolarHBondContact O-N 2.98Å; K112-Q116 PolarHBondContact O-N 3.01Å; K112-V140 HydrophobicContact CD-CG1 3.19Å; K112-S141 WeakPolarHBondContact CE-O 3.47Å; K112-S141 PolarHBondContact NZ-O 3Å; K112-L143 HydrophobicContact CG-CD2 4.36Å
113	C	76.6	Confident	70.4	Confident	9 Å²	9	79 Å²	79	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-42.7	170.2	-179	0	0	0	0	111.5	V66 L69 L109 T115 Q116 K117	V66-C113 HydrophobicContact CG1-CB 4.39Å; L69-C113 HydrophobicContact CD2-CB 4.21Å; L109-C113 VanDerWaalsContact O-CB 3.3Å; L109-C113 WeakPolarHBondContact O-CB 3.43Å; L109-C113 PolarHBondContact O-N 2.98Å; C113-T115 PolarHBondContact O-N 3.06Å; C113-Q116 PolarHBondContact O-N 2.94Å; C113-K117 PolarHBondContact O-N 3.02Å; C113-K117 VanDerWaalsContact O-N 3.07Å
114	K	75.5	Confident	68	Low	132 Å²	132	79.4 Å²	79.4	57%	0.574	39%	0.388	S	S	*	.	H	α-helix	trans	-58.7	-45.2	171.8	-74.2	-172.3	171.2	-159.3	0	112.4	R110 T111 Q116 K117 N118	R110-K114 PolarHBondContact O-N 3.14Å; R110-K114 VanDerWaalsContact O-N 3.13Å; T111-K114 WeakPolarHBondContact O-CB 3.28Å; T111-K114 PolarHBondContact O-N 3.02Å; K114-Q116 VanDerWaalsContact C-N 3.28Å; K114-Q116 PolarHBondContact O-N 3.13Å; K114-K117 PolarHBondContact O-N 3.36Å; K114-N118 PolarHBondContact O-N 3.21Å
115	T	73.1	Confident	65.9	Low	66 Å²	66	80.7 Å²	80.7	41%	0.405	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-35.6	177	-47.9	0	0	0	0	112.3	T111 K112 C113 N118 H119	T111-T115 PolarHBondContact O-N 3.48Å; T111-T115 PolarHBondContact O-OG1 2.88Å; T111-T115 VanDerWaalsContact O-OG1 3.08Å; K112-T115 PolarHBondContact O-N 2.98Å; C113-T115 PolarHBondContact O-N 3.06Å; T115-N118 PolarHBondContact O-N 3.41Å; T115-H119 PolarHBondContact O-N 3.37Å
116	Q	68.3	Low	63.5	Low	15 Å²	15	85.8 Å²	85.8	7%	0.07	44%	0.436	C	S	.	.	H	α-helix	trans	-68.9	-44	177.9	-174.8	-177.5	-31.4	0	0	112.4	K112 C113 K114 N118 H119 I120	K112-Q116 PolarHBondContact O-N 3.01Å; C113-Q116 PolarHBondContact O-N 2.94Å; K114-Q116 VanDerWaalsContact C-N 3.28Å; K114-Q116 PolarHBondContact O-N 3.13Å; Q116-N118 PolarHBondContact O-N 3.47Å; Q116-H119 PolarHBondContact O-N 2.87Å; Q116-I120 HydrophobicContact CG-CD1 3.85Å; Q116-I120 HydrophobicContact CG-CG1 4.34Å; Q116-I120 PolarHBondContact O-N 3.35Å
117	K	64.3	Low	61.1	Low	93 Å²	93	92.1 Å²	92.1	40%	0.404	48%	0.477	S	S	.	.	H	α-helix	trans	-55.7	-38.2	175.1	-73.6	-164.4	173.9	-166.6	0	111.5	I67 E68 C113 K114 H119	I67-K117 WeakPolarHBondContact O-CE 3.44Å; E68-K117 IonicContact OE1-NZ 2.77Å; E68-K117 PolarHBondContact OE1-NZ 2.72Å; C113-K117 PolarHBondContact O-N 3.02Å; C113-K117 VanDerWaalsContact O-N 3.07Å; K114-K117 PolarHBondContact O-N 3.36Å; K117-H119 VanDerWaalsContact C-N 3.34Å; K117-H119 PolarHBondContact O-N 3.32Å
118	N	57.6	Low	58.8	Low	112 Å²	112	95.4 Å²	95.4	60%	0.599	50%	0.501	S	S	*	.	H	α-helix	trans	-70.6	-22	176.1	-67.7	3.4	0	0	0	114.7	K114 T115 Q116	K114-N118 PolarHBondContact O-N 3.21Å; T115-N118 PolarHBondContact O-N 3.41Å; Q116-N118 PolarHBondContact O-N 3.47Å
119	H	54.1	Low	56.6	Low	134 Å²	134	99.2 Å²	99.2	62%	0.62	53%	0.533	S	S	*	.	H	α-helix	trans	-88.5	-38.1	179.3	-103.4	-82	0	0	0	112.8	T115 Q116 K117 L121 K122	T115-H119 PolarHBondContact O-N 3.37Å; Q116-H119 PolarHBondContact O-N 2.87Å; K117-H119 VanDerWaalsContact C-N 3.34Å; K117-H119 PolarHBondContact O-N 3.32Å; H119-L121 VanDerWaalsContact C-N 3.27Å; H119-L121 PolarHBondContact O-N 3.48Å; H119-K122 PolarHBondContact O-N 2.8Å
120	I	50.5	Low	54.3	Low	102 Å²	102	104.3 Å²	104.3	52%	0.523	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-35.9	179.7	-66.9	171.9	0	0	0	110.9	Q116 K122	Q116-I120 HydrophobicContact CG-CD1 3.85Å; Q116-I120 HydrophobicContact CG-CG1 4.34Å; Q116-I120 PolarHBondContact O-N 3.35Å; I120-K122 PolarHBondContact O-N 2.71Å; I120-K122 VanDerWaalsContact O-N 3.13Å
121	L	45.6	Very low	52.3	Low	153 Å²	153	103.8 Å²	103.8	80%	0.801	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-10.8	173.9	-75.2	166.7	0	0	0	114.8	H119	H119-L121 VanDerWaalsContact C-N 3.27Å; H119-L121 PolarHBondContact O-N 3.48Å
122	K	41.9	Very low	50.4	Low	178 Å²	178	103.4 Å²	103.4	77%	0.774	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-4.2	-175.8	-70.4	-166.7	174.7	-167.8	0	115	H119 I120	H119-K122 PolarHBondContact O-N 2.8Å; I120-K122 PolarHBondContact O-N 2.71Å; I120-K122 VanDerWaalsContact O-N 3.13Å
123	R	34	Very low	48.7	Very low	199 Å²	199	105.3 Å²	105.3	75%	0.751	60%	0.595	S	S	*	*			trans	-158.5	108.4	179.6	-145.6	175.9	-168.8	-179.3	3.1	112
124	P	34	Very low	47.5	Very low	132 Å²	132	107.4 Å²	107.4	86%	0.857	61%	0.605	S	S	*	*			trans	-69.4	143.7	164.5	30.7	-32.5	0	0	0	109.4
125	V	39.6	Very low	45.8	Very low	104 Å²	104	105.3 Å²	105.3	63%	0.63	61%	0.607	S	S	*	*			trans	-127.9	135.4	-178.1	178.7	0	0	0	0	108.4
126	P	34.7	Very low	44.2	Very low	109 Å²	109	108.5 Å²	108.5	71%	0.708	62%	0.62	S	S	*	*			trans	-78.4	153.6	-169.8	29.6	-33.8	0	0	0	113.6	A128	P126-A128 PolarHBondContact O-N 2.78Å
127	P	37.9	Very low	43.1	Very low	135 Å²	135	108.4 Å²	108.4	88%	0.877	62%	0.621	S	S	*	*	S	Bend	trans	-90.9	101.8	-174.3	34.2	-32.5	0	0	0	112.7
128	A	35.8	Very low	42.3	Very low	100 Å²	100	111.8 Å²	111.8	83%	0.826	64%	0.638	S	S	*	*			trans	-157.4	-11.7	174	0	0	0	0	0	117.9	P126	P126-A128 PolarHBondContact O-N 2.78Å
129	A	35.2	Very low	42.1	Very low	82 Å²	82	108.2 Å²	108.2	68%	0.678	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-87.8	136.1	-171.5	0	0	0	0	0	113.4
130	P	36.1	Very low	41.9	Very low	110 Å²	110	102.1 Å²	102.1	71%	0.714	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-72.2	145	173.8	30.5	-34.4	0	0	0	111.5
131	P	42.8	Very low	41.6	Very low	127 Å²	127	101 Å²	101	83%	0.825	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-74.8	127.4	-172.3	28.7	-34.8	0	0	0	113.1
132	T	41.5	Very low	41.7	Very low	55 Å²	55	95.2 Å²	95.2	34%	0.337	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-66.9	143.3	173.9	-64.5	0	0	0	0	112.1	D38 I134 L136 L137	D38-T132 WeakPolarHBondContact OD1-CB 3.32Å; D38-T132 PolarHBondContact OD1-OG1 3.45Å; D38-T132 VanDerWaalsContact OD1-OG1 3.13Å; D38-T132 WeakPolarHBondContact OD2-CB 3.41Å; D38-T132 PolarHBondContact OD2-N 3.45Å; D38-T132 PolarHBondContact OD2-OG1 3.42Å; T132-I134 PolarHBondContact O-N 2.75Å; T132-L136 HydrophobicContact CG2-CB 3.89Å; T132-L136 HydrophobicContact CG2-CD1 4.26Å; T132-L137 HydrophobicContact CG2-CD2 4.02Å
133	S	43.8	Very low	41.7	Very low	65 Å²	65	89.5 Å²	89.5	46%	0.455	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-58	133.9	179.4	-179.6	0	0	0	0	112.2	S135 L136 L137	S133-S135 PolarHBondContact O-N 3.3Å; S133-S135 PolarHBondContact OG-N 2.92Å; S133-S135 PolarHBondContact OG-OG 2.77Å; S133-L136 PolarHBondContact O-N 2.82Å; S133-L137 PolarHBondContact O-N 2.91Å
134	I	51.6	Low	41.9	Very low	52 Å²	52	85.2 Å²	85.2	27%	0.267	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.8	176.8	-63.8	166.4	0	0	0	113	R45 T132 L136	R45-I134 HydrophobicContact CB-CG2 4.31Å; R45-I134 WeakPolarHBondContact CD-O 3.33Å; R45-I134 HydrophobicContact CG-CG2 3.77Å; R45-I134 PolarHBondContact NH1-O 2.99Å; T132-I134 PolarHBondContact O-N 2.75Å; I134-L136 VanDerWaalsContact C-N 3.35Å
135	S	40	Very low	41.9	Very low	89 Å²	89	81 Å²	81	62%	0.622	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.7	174.9	60.2	0	0	0	0	114.7	S133	S133-S135 PolarHBondContact O-N 3.3Å; S133-S135 PolarHBondContact OG-N 2.92Å; S133-S135 PolarHBondContact OG-OG 2.77Å
136	L	38.8	Very low	41.4	Very low	132 Å²	132	80.7 Å²	80.7	69%	0.691	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-11.4	-178.3	-62.7	172.7	0	0	0	112.8	T132 S133 I134	T132-L136 HydrophobicContact CG2-CB 3.89Å; T132-L136 HydrophobicContact CG2-CD1 4.26Å; S133-L136 PolarHBondContact O-N 2.82Å; I134-L136 VanDerWaalsContact C-N 3.35Å
137	L	46.3	Very low	41	Very low	14 Å²	14	84.3 Å²	84.3	7%	0.073	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-66.6	132	-178.5	-62.7	-171.5	0	0	0	112.4	V35 R36 D37 L43 R45 T132 S133	V35-L137 HydrophobicContact CB-CB 3.98Å; V35-L137 HydrophobicContact CG1-CB 4.42Å; V35-L137 HydrophobicContact CG2-CB 4.12Å; V35-L137 HydrophobicContact CG2-CD1 4.16Å; R36-L137 WeakPolarHBondContact O-CB 3.18Å; D37-L137 HydrophobicContact CB-CD1 4.45Å; L43-L137 HydrophobicContact CD1-CD1 4.39Å; R45-L137 PolarHBondContact NH1-O 2.86Å; T132-L137 HydrophobicContact CG2-CD2 4.02Å; S133-L137 PolarHBondContact O-N 2.91Å
138	E	46.4	Very low	40.8	Very low	163 Å²	163	87.6 Å²	87.6	76%	0.762	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-74.6	138.8	-176	-163.7	176.4	-152.5	0	0	111.2	V35 R36	V35-E138 CarbonylContact C-O 3.59Å; V35-E138 VanDerWaalsContact CA-O 3.22Å; V35-E138 WeakPolarHBondContact CA-O 3.07Å; V35-E138 WeakPolarHBondContact CB-O 3.41Å; R36-E138 PolarHBondContact N-O 3.41Å
139	E	54.5	Low	40.5	Very low	38 Å²	38	90.2 Å²	90.2	18%	0.178	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-71.9	134.2	179.8	-74.8	-159	-174.6	0	0	112.2	T2 L3 S33 V35 R45 S141	T2-E139 WeakPolarHBondContact CA-OE2 3.36Å; T2-E139 WeakPolarHBondContact CB-OE2 3.16Å; T2-E139 VanDerWaalsContact CG2-OE2 3.28Å; T2-E139 WeakPolarHBondContact CG2-OE2 3.43Å; L3-E139 PolarHBondContact N-OE2 2.58Å; S33-E139 WeakPolarHBondContact CB-OE1 3.47Å; V35-E139 HydrophobicContact CG1-CG 3.95Å; R45-E139 IonicContact NH2-OE1 3.42Å; R45-E139 PolarHBondContact NH2-OE1 2.87Å; R45-E139 VanDerWaalsContact NH2-OE1 3.13Å; E139-S141 PolarHBondContact O-N 3.45Å
140	V	48.6	Very low	40	Very low	5 Å²	5	93.8 Å²	93.8	3%	0.03	52%	0.52	C	S	.	.			trans	-58.2	112.7	176.6	171.8	0	0	0	0	108.8	L3 A34 V35 R36 I42 K112	L3-V140 VanDerWaalsContact CB-O 3.23Å; L3-V140 WeakPolarHBondContact CB-O 3.37Å; A34-V140 HydrophobicContact CB-CB 3.9Å; A34-V140 HydrophobicContact CB-CG1 4.49Å; A34-V140 HydrophobicContact CB-CG2 3.91Å; A34-V140 WeakPolarHBondContact O-CB 3.39Å; A34-V140 PolarHBondContact O-N 3.25Å; V35-V140 VanDerWaalsContact C-CG2 3.44Å; V35-V140 WeakPolarHBondContact O-CG2 3.48Å; R36-V140 HydrophobicContact CG-CG2 3.79Å; I42-V140 HydrophobicContact CG1-CG2 4.37Å; I42-V140 HydrophobicContact CG2-CG2 4.42Å; K112-V140 HydrophobicContact CD-CG1 3.19Å
141	S	44.4	Very low	39.6	Very low	79 Å²	79	94 Å²	94	55%	0.552	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-55.1	143.3	179.4	-3.5	0	0	0	0	110.8	K112 E139	K112-S141 WeakPolarHBondContact CE-O 3.47Å; K112-S141 PolarHBondContact NZ-O 3Å; E139-S141 PolarHBondContact O-N 3.45Å
142	P	47.3	Very low	38.9	Very low	32 Å²	32	96.7 Å²	96.7	21%	0.208	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-58.7	156.9	172.7	24.1	-33.1	0	0	0	110.6	M1 L3 F104	M1-P142 WeakPolarHBondContact O-CD 3.24Å; M1-P142 WeakPolarHBondContact O-CG 3.33Å; L3-P142 HydrophobicContact CD1-CB 4.29Å; F104-P142 HydrophobicContact CE1-CB 4.01Å; F104-P142 HydrophobicContact CZ-CB 3.85Å
143	L	42.5	Very low	38.1	Very low	57 Å²	57	99.7 Å²	99.7	30%	0.298	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-54.3	133.2	175.3	-77.1	166.1	0	0	0	110.2	T108 T111 K112 L145	T108-L143 HydrophobicContact CG2-CG 4.09Å; T111-L143 HydrophobicContact CG2-CD1 4.07Å; T111-L143 HydrophobicContact CG2-CD2 3.66Å; K112-L143 HydrophobicContact CG-CD2 4.36Å; L143-L145 PolarHBondContact O-N 3.35Å
144	P	38.4	Very low	37.2	Very low	109 Å²	109	106.9 Å²	106.9	71%	0.708	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-59.7	126	164.7	-16.8	30.1	0	0	0	108.1	P146	P144-P146 VanDerWaalsContact O-CD 3.27Å; P144-P146 WeakPolarHBondContact O-CD 3.4Å
145	L	32.6	Very low	35.8	Very low	45 Å²	45	110.5 Å²	110.5	24%	0.236	59%	0.593	C	S	.	*	P	Polyproline II helix	trans	-55.2	116.4	165.2	-68.5	119	0	0	0	107.6	L143 K147 H210	L143-L145 PolarHBondContact O-N 3.35Å; L145-K147 PolarHBondContact O-N 3.45Å; L145-H210 VanDerWaalsContact CA-CD2 3.43Å; L145-H210 WeakPolarHBondContact CA-CD2 3.39Å; L145-H210 HydrophobicContact CB-CB 3.84Å; L145-H210 VanDerWaalsContact CB-CD2 3.48Å; L145-H210 WeakPolarHBondContact CB-CD2 3.38Å; L145-H210 WeakPolarHBondContact CD2-CE1 3.4Å; L145-H210 HydrophobicContact CG-CB 4.22Å; L145-H210 VanDerWaalsContact CG-ND1 3.3Å; L145-H210 WeakPolarHBondContact CG-ND1 3.35Å
146	P	30.2	Very low	34.9	Very low	96 Å²	96	114.1 Å²	114.1	62%	0.623	60%	0.603	S	S	*	*			trans	-55.4	111.9	179.8	16.1	-32.4	0	0	0	111.8	P144 K148 H210	P144-P146 VanDerWaalsContact O-CD 3.27Å; P144-P146 WeakPolarHBondContact O-CD 3.4Å; P146-K148 PolarHBondContact O-N 2.97Å; P146-H210 WeakPolarHBondContact CD-CD2 3.41Å
147	K	26.8	Very low	34.2	Very low	185 Å²	185	116.2 Å²	116.2	80%	0.804	61%	0.609	S	S	*	*			trans	-77.8	104	164	-62.2	176.6	-177.9	175.2	0	107	L145	L145-K147 PolarHBondContact O-N 3.45Å
148	K	32.2	Very low	33.5	Very low	205 Å²	205	120.4 Å²	120.4	89%	0.891	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-78.7	137.2	165.2	-89.5	-166.3	171.6	-171.4	0	109.6	P146	P146-K148 PolarHBondContact O-N 2.97Å
149	I	30.1	Very low	32.5	Very low	154 Å²	154	122.7 Å²	122.7	79%	0.79	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-86.9	148.1	-174.1	-69	162.9	0	0	0	109	S151	I149-S151 PolarHBondContact O-N 3.42Å
150	N	25.2	Very low	31.1	Very low	158 Å²	158	125.8 Å²	125.8	85%	0.845	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-63.3	119	173.5	-62.8	-14.9	0	0	0	111.1
151	S	27.7	Very low	30	Very low	115 Å²	115	131.8 Å²	131.8	80%	0.804	71%	0.712	S	S	*	*			trans	-170.3	153.3	142.1	49.7	0	0	0	0	112	I149	I149-S151 PolarHBondContact O-N 3.42Å
152	H	27	Very low	29	Very low	183 Å²	183	135 Å²	135	85%	0.847	72%	0.723	S	S	*	*			trans	-46.6	160	-163.5	-70.6	-84.7	0	0	0	120.3
153	P	26.3	Very low	28.1	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	76%	0.756	S	S	*	*			trans	-82.9	146.1	-176.9	34.3	-36	0	0	0	113.4
154	K	23.4	Very low	27.3	Very low	216 Å²	216	143.7 Å²	143.7	94%	0.939	77%	0.771	S	S	*	*			trans	-158	154.1	151.1	-112	167.6	-173.4	-178.5	0	111.4
155	V	22.8	Very low	26.7	Very low	129 Å²	129	144.5 Å²	144.5	78%	0.782	77%	0.774	S	S	*	*			trans	-83.6	154	-169	176.3	0	0	0	0	111.7
156	I	22.2	Very low	26.5	Very low	165 Å²	165	149.8 Å²	149.8	85%	0.846	80%	0.801	S	S	*	*			trans	168.9	143.4	135	-83.9	152.9	0	0	0	109.8
157	E	23.7	Very low	26.2	Very low	175 Å²	175	151.9 Å²	151.9	82%	0.818	81%	0.807	S	S	*	*			trans	-92.4	-150.6	-176.5	-60.7	-170.5	145.5	0	0	113.2
158	P	30.8	Very low	26.4	Very low	103 Å²	103	152.6 Å²	152.6	67%	0.669	81%	0.81	S	S	*	*				-120	172.5	-103.7	38.1	-20.8	0	0	0	113.7
159	F	25.7	Very low	26.1	Very low	211 Å²	211	150.5 Å²	150.5	93%	0.925	80%	0.804	S	S	*	*			trans	-138.8	133.4	167.1	-92.5	-83.3	0	0	0	113.4
160	S	25.2	Very low	25.9	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	80%	0.799	S	S	*	*			trans	-86.5	164.8	170.7	47.9	0	0	0	0	111.7
161	C	24.6	Very low	26.1	Very low	131 Å²	131	150.5 Å²	150.5	89%	0.885	80%	0.8	S	S	*	*			trans	-158.8	136.1	145	-130.8	0	0	0	0	110.4
162	D	24.6	Very low	26.2	Very low	147 Å²	147	151.4 Å²	151.4	79%	0.786	80%	0.8	S	S	*	*			trans	-76.2	172.5	-178.9	-62.2	-73.8	0	0	0	113.2
163	M	27.7	Very low	26.6	Very low	181 Å²	181	147.7 Å²	147.7	89%	0.892	79%	0.792	S	S	*	*				-173.6	154.6	113.9	-95.1	-64.2	-85.9	0	0	111.6
164	S	25.9	Very low	26.8	Very low	90 Å²	90	148 Å²	148	63%	0.629	79%	0.792	S	S	*	*			trans	-106.5	152	-156.5	45.1	0	0	0	0	115.7
165	V	25	Very low	27.1	Very low	125 Å²	125	143.6 Å²	143.6	76%	0.758	78%	0.783	S	S	*	*			trans	43.3	131.8	134.8	-176.2	0	0	0	0	120.4
166	I	29.1	Very low	27.2	Very low	156 Å²	156	142.6 Å²	142.6	80%	0.8	78%	0.781	S	S	*	*				-172.9	140.3	123.9	-91	150.8	0	0	0	109.8
167	N	25.2	Very low	27.6	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	78%	0.776	S	S	*	*			trans	-80.4	169.5	178.1	-72.4	-23	0	0	0	112.6
168	F	29.9	Very low	28.3	Very low	200 Å²	200	136.7 Å²	136.7	88%	0.877	77%	0.771	S	S	*	*				-171.8	165.6	127.7	-101.1	-61.9	0	0	0	114
169	Q	25.2	Very low	28.2	Very low	161 Å²	161	143.3 Å²	143.3	75%	0.752	78%	0.782	S	S	*	*			trans	-146.5	155.2	-171	-74.2	-172.5	-106.4	0	0	107.5
170	D	26.6	Very low	28.2	Very low	131 Å²	131	139.8 Å²	139.8	70%	0.701	78%	0.782	S	S	*	*			cis	-157.7	-158.6	-4.3	-129	-57.8	0	0	0	109.7
171	E	29.3	Very low	28.4	Very low	181 Å²	181	138 Å²	138	85%	0.846	78%	0.781	S	S	*	*			trans	80.9	165.9	158.1	-51.6	-152.6	142.8	0	0	119.5
172	V	29.7	Very low	28.6	Very low	134 Å²	134	137.1 Å²	137.1	81%	0.812	78%	0.776	S	S	*	*			trans	-150.6	-166.4	-150.4	-134.1	0	0	0	0	109.7
173	P	36.5	Very low	28.7	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	78%	0.778	S	S	*	*				-120	-157.5	-54.1	31.2	-10.5	0	0	0	113
174	T	29.1	Very low	28.6	Very low	125 Å²	125	140 Å²	140	77%	0.767	78%	0.777	S	S	*	*			trans	96.5	140.8	162.5	72.3	0	0	0	0	117.5
175	T	29.4	Very low	28.8	Very low	122 Å²	122	141.2 Å²	141.2	75%	0.748	79%	0.785	S	S	*	*			cis	-161.5	155.4	0.3	7.1	0	0	0	0	114.2
176	C	26.3	Very low	28.9	Very low	109 Å²	109	141.5 Å²	141.5	74%	0.736	79%	0.787	S	S	*	*			trans	59.8	99.3	145.6	-62.9	0	0	0	0	126.2
177	S	30.4	Very low	29.3	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	78%	0.78	S	S	*	*				31.7	168.5	108	71.8	0	0	0	0	124.5
178	P	38	Very low	29.4	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	78%	0.784	S	S	*	*			cis	-145.4	-164.2	-48.1	43.3	-24.1	0	0	0	114.9
179	R	28.9	Very low	29.4	Very low	243 Å²	243	136.6 Å²	136.6	92%	0.917	78%	0.781	S	S	*	*			trans	108.6	158.6	165.5	-64.2	175.7	176.5	-171.9	-0	116
180	C	25.8	Very low	29.5	Very low	136 Å²	136	133 Å²	133	92%	0.919	77%	0.773	S	S	*	*			cis	-171	151.3	-41.3	-164	0	0	0	0	110
181	G	29.1	Very low	29.6	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	78%	0.777	S	S	*	*			trans	126.5	116.3	173.4	0	0	0	0	0	113.8
182	S	28.1	Very low	29.8	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	77%	0.769	S	S	*	*				73.1	126.9	65.5	-143.1	0	0	0	0	112
183	L	28.1	Very low	29.8	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	77%	0.767	S	S	*	*			cis	-145.9	-172.1	30	-102.5	111	0	0	0	115.2
184	R	25.8	Very low	29.4	Very low	229 Å²	229	136 Å²	136	86%	0.864	78%	0.781	S	S	*	*			trans	-67	171.4	177.1	-53.9	164.5	-177.3	176.2	-0.1	111.7
185	S	28.5	Very low	29.2	Very low	115 Å²	115	139 Å²	139	80%	0.804	78%	0.784	S	S	*	*			cis	-165.3	170.2	36.8	46.1	0	0	0	0	116.4
186	T	28.9	Very low	29.1	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	79%	0.788	S	S	*	*			trans	-84.2	-164.3	-175.6	50.8	0	0	0	0	115.6
187	P	37.7	Very low	29.1	Very low	100 Å²	100	138.6 Å²	138.6	65%	0.649	79%	0.785	S	S	*	*				-144.8	-163.7	-50.5	38.2	-16.7	0	0	0	116.3
188	L	27.1	Very low	29	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	79%	0.792	S	S	*	*			trans	80.4	161.8	157.1	-60.5	160.4	0	0	0	118
189	V	28.3	Very low	28.4	Very low	134 Å²	134	145.2 Å²	145.2	81%	0.812	80%	0.802	S	S	*	*			cis	-131.4	-138.7	4.1	80.6	0	0	0	0	115.1
190	S	28.4	Very low	28.3	Very low	84 Å²	84	138.8 Å²	138.8	59%	0.587	79%	0.794	S	S	*	*			trans	-162.7	-175.6	-158.5	63.4	0	0	0	0	118.7
191	T	29.4	Very low	28.3	Very low	125 Å²	125	144.4 Å²	144.4	77%	0.767	80%	0.796	S	S	*	*			trans	78.5	167.3	148.7	40.5	0	0	0	0	121
192	P	32.5	Very low	28.1	Very low	107 Å²	107	144.6 Å²	144.6	70%	0.695	80%	0.798	S	S	*	*			cis	-145.8	157.7	-29.2	36	-15.2	0	0	0	120
193	V	28.8	Very low	28	Very low	127 Å²	127	146 Å²	146	77%	0.77	80%	0.796	S	S	*	*			trans	52.2	132.6	131	-178.5	0	0	0	0	125.6
194	R	29.1	Very low	27.9	Very low	254 Å²	254	144.7 Å²	144.7	96%	0.958	79%	0.79	S	S	*	*			trans	-154.8	163.3	131.4	-120	176	-179	176	0.5	114.4
195	K	25.4	Very low	27.9	Very low	190 Å²	190	140 Å²	140	83%	0.826	78%	0.782	S	S	*	*			trans	-127	157	-166.4	-49.6	169.6	177.1	174.1	0	113.6
196	V	27.6	Very low	27.8	Very low	138 Å²	138	145.2 Å²	145.2	84%	0.836	79%	0.785	S	S	*	*			trans	-159.9	114.6	143.9	-178	0	0	0	0	109
197	A	25.6	Very low	27.7	Very low	83 Å²	83	143.2 Å²	143.2	69%	0.686	78%	0.776	S	S	*	*				56.2	103.7	97.8	0	0	0	0	0	117.4
198	V	27.1	Very low	27.2	Very low	144 Å²	144	141.1 Å²	141.1	87%	0.873	76%	0.757	S	S	*	*				82.3	116.9	79	171.3	0	0	0	0	116.4
199	K	26.6	Very low	27.4	Very low	211 Å²	211	136.1 Å²	136.1	92%	0.917	74%	0.744	S	S	*	*			trans	-166.8	159	134.1	-109.4	172.2	-174.9	177.4	0	112.2
200	S	26.3	Very low	27.8	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	72%	0.72	S	S	*	*			trans	-113.6	155.4	-163.7	53.2	0	0	0	0	114.6
201	R	25.7	Very low	28.1	Very low	253 Å²	253	135 Å²	135	96%	0.955	72%	0.723	S	S	*	*			trans	179.3	145.4	141.8	-103.9	167.7	-176.8	-170.2	0.3	112.4
202	G	24.9	Very low	28.2	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	71%	0.711	S	S	*	*			trans	89.5	120.4	143.7	0	0	0	0	0	119.7
203	D	26	Very low	27.9	Very low	140 Å²	140	134.6 Å²	134.6	75%	0.749	71%	0.705	S	S	*	*			trans	56.4	106.2	145.4	-78.5	-63.4	0	0	0	123.4
204	N	25.4	Very low	28	Very low	132 Å²	132	137 Å²	137	71%	0.706	71%	0.713	S	S	*	*				58.3	136.8	113.5	-78.5	-42	0	0	0	122.7
205	N	26.6	Very low	27.9	Very low	130 Å²	130	134.2 Å²	134.2	70%	0.695	70%	0.702	S	S	*	*			trans	72.2	104.9	147.4	-81.8	-32.4	0	0	0	120.4
206	R	26.2	Very low	27.9	Very low	226 Å²	226	133 Å²	133	85%	0.853	70%	0.699	S	S	*	*				156.9	120.5	109.1	-85	143.4	-180	177.4	-2.2	113.1
207	S	26.2	Very low	27.9	Very low	89 Å²	89	131 Å²	131	62%	0.622	69%	0.691	S	S	*	*	S	Bend	trans	-151	144.9	150.9	60.4	0	0	0	0	111.1
208	F	28.4	Very low	28.1	Very low	56 Å²	56	132.6 Å²	132.6	25%	0.246	69%	0.688	C	S	.	*			trans	81	28.2	178.3	-57.9	-80.2	0	0	0	119.6	M1 F104 F212	M1-F208 HydrophobicContact CB-CE2 4.29Å; M1-F208 HydrophobicContact CB-CZ 4.15Å; M1-F208 HydrophobicContact CE-CD2 3.91Å; M1-F208 HydrophobicContact CE-CE2 3.42Å; M1-F208 VanDerWaalsContact CE-CE2 3.42Å; M1-F208 HydrophobicContact CE-CZ 3.86Å; M1-F208 HydrophobicContact CG-CE2 3.67Å; M1-F208 HydrophobicContact CG-CZ 3.87Å; M1-F208 HydrophobicContact SD-CD2 4.43Å; M1-F208 HydrophobicContact SD-CE1 4.25Å; M1-F208 HydrophobicContact SD-CE2 3.42Å; M1-F208 WeakPolarHBondContact SD-CE2 3.2Å; M1-F208 HydrophobicContact SD-CZ 3.3Å; M1-F208 WeakPolarHBondContact SD-CZ 3.49Å; F104-F208 HydrophobicContact CZ-CE1 4.39Å; F208-F212 WeakPolarHBondContact O-CD2 3.3Å; F208-F212 VanDerWaalsContact O-CE2 3.26Å; F208-F212 WeakPolarHBondContact O-CE2 3.28Å
209	G	29.9	Very low	28.4	Very low	55 Å²	55	133 Å²	133	57%	0.567	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-73.9	-22.3	-178.4	0	0	0	0	0	119.3
210	H	37.4	Very low	28.9	Very low	67 Å²	67	126 Å²	126	31%	0.31	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-102.9	0.6	-165.4	85.8	-14.9	0	0	0	117	L145 P146 F212	L145-H210 VanDerWaalsContact CA-CD2 3.43Å; L145-H210 WeakPolarHBondContact CA-CD2 3.39Å; L145-H210 HydrophobicContact CB-CB 3.84Å; L145-H210 VanDerWaalsContact CB-CD2 3.48Å; L145-H210 WeakPolarHBondContact CB-CD2 3.38Å; L145-H210 WeakPolarHBondContact CD2-CE1 3.4Å; L145-H210 HydrophobicContact CG-CB 4.22Å; L145-H210 VanDerWaalsContact CG-ND1 3.3Å; L145-H210 WeakPolarHBondContact CG-ND1 3.35Å; P146-H210 WeakPolarHBondContact CD-CD2 3.41Å; H210-F212 PolarHBondContact O-N 3.4Å
211	I	35.2	Very low	29.5	Very low	128 Å²	128	123.1 Å²	123.1	66%	0.656	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-83.8	6.6	166	-56.6	179.8	0	0	0	108.7
212	F	31	Very low	30.1	Very low	116 Å²	116	117.7 Å²	117.7	51%	0.509	63%	0.627	S	S	.	*			trans	-128.9	25.7	-168.6	-62.1	-95.1	0	0	0	112.2	F208 H210 L214 H225	F208-F212 WeakPolarHBondContact O-CD2 3.3Å; F208-F212 VanDerWaalsContact O-CE2 3.26Å; F208-F212 WeakPolarHBondContact O-CE2 3.28Å; H210-F212 PolarHBondContact O-N 3.4Å; F212-L214 PolarHBondContact O-N 3.46Å; F212-H225 AromaticContact CD1-NE2 3.9Å; F212-H225 AromaticContact CE1-NE2 3.52Å
213	D	26.2	Very low	31.5	Very low	108 Å²	108	118.1 Å²	118.1	58%	0.578	62%	0.616	S	S	*	*			trans	-91.3	78.6	170.5	-78	-50.2	0	0	0	110.7
214	L	30.7	Very low	32.9	Very low	177 Å²	177	111.5 Å²	111.5	93%	0.927	58%	0.58	S	S	*	*			trans	-115.6	92.5	147	-80.3	170.6	0	0	0	105.7	F212	F212-L214 PolarHBondContact O-N 3.46Å
215	R	26.9	Very low	34.6	Very low	196 Å²	196	108.1 Å²	108.1	74%	0.74	56%	0.56	S	S	*	*			trans	-92.6	142.5	176.4	-82.8	-170.8	172.5	-153	-4.3	111.1
216	E	26.6	Very low	37.1	Very low	164 Å²	164	106.5 Å²	106.5	77%	0.766	55%	0.552	S	S	*	*	S	Bend	trans	70.7	54.5	156.4	-68.8	152.1	-137.3	0	0	116.6
217	S	26.1	Very low	39.9	Very low	95 Å²	95	97.6 Å²	97.6	66%	0.664	52%	0.519	S	S	*	.	S	Bend	trans	-152.9	152.1	139.9	-34.4	0	0	0	0	110.3
218	D	30.3	Very low	42.7	Very low	117 Å²	117	93.8 Å²	93.8	63%	0.626	49%	0.492	S	S	*	.			trans	64.5	103.6	158.9	-51.2	-26.5	0	0	0	119.7	S220 S221	D218-S220 PolarHBondContact O-N 3.27Å; D218-S220 VanDerWaalsContact O-N 3.14Å; D218-S221 WeakPolarHBondContact O-CB 3.3Å; D218-S221 PolarHBondContact O-N 2.98Å; D218-S221 PolarHBondContact O-OG 2.91Å
219	I	34.5	Very low	45.4	Very low	153 Å²	153	94 Å²	94	79%	0.785	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.5	168.6	-66.2	167.6	0	0	0	112.3	S221	I219-S221 PolarHBondContact O-N 2.95Å
220	S	37	Very low	48.2	Very low	63 Å²	63	94.1 Å²	94.1	44%	0.441	48%	0.484	S	S	.	.	H	α-helix	trans	-69.3	-13.6	176.6	59.4	0	0	0	0	114.5	D218 T223	D218-S220 PolarHBondContact O-N 3.27Å; D218-S220 VanDerWaalsContact O-N 3.14Å; S220-T223 PolarHBondContact O-OG1 2.92Å
221	S	39	Very low	50.7	Low	49 Å²	49	91 Å²	91	34%	0.343	47%	0.47	S	S	.	.	H	α-helix	trans	-80.1	-29.7	179.2	69.1	0	0	0	0	113.3	D218 I219 H225	D218-S221 WeakPolarHBondContact O-CB 3.3Å; D218-S221 PolarHBondContact O-N 2.98Å; D218-S221 PolarHBondContact O-OG 2.91Å; I219-S221 PolarHBondContact O-N 2.95Å; S221-H225 PolarHBondContact O-N 2.94Å
222	Q	37.2	Very low	53.2	Low	138 Å²	138	85.4 Å²	85.4	65%	0.645	44%	0.441	S	S	*	.	H	α-helix	trans	-69.5	-53.2	-178.2	-68.6	-174.5	-4.7	0	0	111.2	A224 H225 D226	Q222-A224 VanDerWaalsContact C-N 3.29Å; Q222-A224 PolarHBondContact O-N 3.47Å; Q222-H225 WeakPolarHBondContact O-CA 3.44Å; Q222-H225 WeakPolarHBondContact O-CB 3.37Å; Q222-H225 PolarHBondContact O-N 3.47Å; Q222-D226 PolarHBondContact O-N 3.18Å
223	T	55.6	Low	56	Low	82 Å²	82	83 Å²	83	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-56.8	-41.8	178.7	54.1	0	0	0	0	112.3	S220 H225 D226 E227	S220-T223 PolarHBondContact O-OG1 2.92Å; T223-H225 VanDerWaalsContact C-N 3.3Å; T223-H225 PolarHBondContact O-N 3.2Å; T223-D226 PolarHBondContact O-N 3.28Å; T223-E227 WeakPolarHBondContact O-CG 3.44Å; T223-E227 PolarHBondContact O-N 3.26Å
224	A	54.2	Low	59	Low	1 Å²	1	80.5 Å²	80.5	1%	0.008	42%	0.418	C	S	.	.	H	α-helix	trans	-64	-31.7	175.7	0	0	0	0	0	113.2	Q222 H415 W417	Q222-A224 VanDerWaalsContact C-N 3.29Å; Q222-A224 PolarHBondContact O-N 3.47Å; A224-H415 HydrophobicContact CB-CB 3.63Å; A224-W417 HydrophobicContact CB-CZ2 4Å
225	H	61.7	Low	61.8	Low	60 Å²	60	72.5 Å²	72.5	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-75.1	-37.9	174.4	-161.1	8	0	0	0	111.6	F212 S221 Q222 T223 Q228 M229	F212-H225 AromaticContact CD1-NE2 3.9Å; F212-H225 AromaticContact CE1-NE2 3.52Å; S221-H225 PolarHBondContact O-N 2.94Å; Q222-H225 WeakPolarHBondContact O-CA 3.44Å; Q222-H225 WeakPolarHBondContact O-CB 3.37Å; Q222-H225 PolarHBondContact O-N 3.47Å; T223-H225 VanDerWaalsContact C-N 3.3Å; T223-H225 PolarHBondContact O-N 3.2Å; H225-Q228 PolarHBondContact O-N 2.95Å; H225-M229 WeakPolarHBondContact O-CB 3.45Å; H225-M229 WeakPolarHBondContact O-CG 3.47Å; H225-M229 PolarHBondContact O-N 2.85Å
226	D	78.1	Confident	64.7	Low	97 Å²	97	69.3 Å²	69.3	52%	0.519	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-39.9	177.4	-67	-32.8	0	0	0	112.4	Q222 T223 Q228 M229 T230	Q222-D226 PolarHBondContact O-N 3.18Å; T223-D226 PolarHBondContact O-N 3.28Å; D226-Q228 PolarHBondContact O-N 3.29Å; D226-M229 PolarHBondContact O-N 2.74Å; D226-T230 VanDerWaalsContact O-CB 3.27Å; D226-T230 WeakPolarHBondContact O-CB 3.23Å; D226-T230 PolarHBondContact O-N 3.39Å; D226-T230 PolarHBondContact O-OG1 2.77Å
227	E	84.9	Confident	67.6	Low	38 Å²	38	67.3 Å²	67.3	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-54.9	-50.3	171.2	-74.2	177.2	-179.9	0	0	111.4	T223 T230 V231 L413 T414	T223-E227 WeakPolarHBondContact O-CG 3.44Å; T223-E227 PolarHBondContact O-N 3.26Å; E227-T230 WeakPolarHBondContact O-CB 3.38Å; E227-T230 PolarHBondContact O-N 3.43Å; E227-V231 WeakPolarHBondContact O-CG2 3.5Å; E227-V231 PolarHBondContact O-N 2.99Å; E227-L413 HydrophobicContact CB-CD2 3.81Å; E227-L413 VanDerWaalsContact OE2-CA 3.29Å; E227-L413 WeakPolarHBondContact OE2-CA 3.48Å; E227-T414 WeakPolarHBondContact OE1-CB 3.35Å; E227-T414 WeakPolarHBondContact OE1-CG2 3.28Å; E227-T414 PolarHBondContact OE1-N 2.95Å; E227-T414 PolarHBondContact OE1-OG1 3.15Å; E227-T414 PolarHBondContact OE2-N 2.89Å
228	Q	84.9	Confident	70.5	Confident	10 Å²	10	64.8 Å²	64.8	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-38.1	179.7	-68.4	-172.1	10.7	0	0	112.5	H225 D226 T230 V231 I232 L254 L413	H225-Q228 PolarHBondContact O-N 2.95Å; D226-Q228 PolarHBondContact O-N 3.29Å; Q228-T230 VanDerWaalsContact C-N 3.35Å; Q228-V231 PolarHBondContact O-N 2.94Å; Q228-I232 WeakPolarHBondContact O-CG1 3.31Å; Q228-I232 PolarHBondContact O-N 3.12Å; Q228-L254 HydrophobicContact CB-CD1 4.07Å; Q228-L254 HydrophobicContact CG-CD1 4.48Å; Q228-L254 HydrophobicContact CG-CD2 4.31Å; Q228-L413 HydrophobicContact CG-CD2 4.35Å
229	M	85.9	Confident	73.4	Confident	60 Å²	60	62.7 Å²	62.7	30%	0.296	33%	0.334	S	S	.	.	H	α-helix	trans	-69.3	-34	176.6	-75.3	-60.2	-62.8	0	0	112.1	H225 D226 I232 N233	H225-M229 WeakPolarHBondContact O-CB 3.45Å; H225-M229 WeakPolarHBondContact O-CG 3.47Å; H225-M229 PolarHBondContact O-N 2.85Å; D226-M229 PolarHBondContact O-N 2.74Å; M229-I232 PolarHBondContact O-N 2.91Å; M229-I232 HydrophobicContact SD-CD1 4.12Å; M229-N233 WeakPolarHBondContact O-CB 3.23Å; M229-N233 PolarHBondContact O-N 2.95Å; M229-N233 PolarHBondContact O-ND2 3.09Å
230	T	88.6	Confident	76.2	Confident	58 Å²	58	57 Å²	57	36%	0.356	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-44.6	174	-63.8	0	0	0	0	111.3	D226 E227 Q228 I232 N233 F234 I411	D226-T230 VanDerWaalsContact O-CB 3.27Å; D226-T230 WeakPolarHBondContact O-CB 3.23Å; D226-T230 PolarHBondContact O-N 3.39Å; D226-T230 PolarHBondContact O-OG1 2.77Å; E227-T230 WeakPolarHBondContact O-CB 3.38Å; E227-T230 PolarHBondContact O-N 3.43Å; Q228-T230 VanDerWaalsContact C-N 3.35Å; T230-I232 PolarHBondContact O-N 2.85Å; T230-N233 PolarHBondContact O-N 3.11Å; T230-F234 HydrophobicContact CG2-CD2 3.72Å; T230-F234 HydrophobicContact CG2-CE2 3.41Å; T230-F234 VanDerWaalsContact CG2-CE2 3.41Å; T230-F234 HydrophobicContact CG2-CZ 4.42Å; T230-F234 VanDerWaalsContact O-CD2 3.28Å; T230-F234 WeakPolarHBondContact O-CD2 3.31Å; T230-F234 PolarHBondContact O-N 2.87Å; T230-I411 HydrophobicContact CG2-CD1 4.34Å
231	V	89.5	Confident	78.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-49	172	176.9	0	0	0	0	110.9	E227 Q228 N233 F234 V235 V241 C243 L254 F377 I411	E227-V231 WeakPolarHBondContact O-CG2 3.5Å; E227-V231 PolarHBondContact O-N 2.99Å; Q228-V231 PolarHBondContact O-N 2.94Å; V231-N233 VanDerWaalsContact C-N 3.3Å; V231-N233 PolarHBondContact O-N 3.48Å; V231-F234 PolarHBondContact O-N 2.89Å; V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 2.78Å; V231-V235 VanDerWaalsContact O-N 3.09Å; V231-V241 HydrophobicContact CG1-CG1 4.26Å; V231-C243 HydrophobicContact CG1-CB 4.33Å; V231-C243 HydrophobicContact CG2-CB 4.3Å; V231-L254 HydrophobicContact CB-CD2 3.97Å; V231-L254 HydrophobicContact CG1-CD2 3.89Å; V231-L254 HydrophobicContact CG1-CG 4.37Å; V231-L254 HydrophobicContact CG2-CD2 3.93Å; V231-F377 HydrophobicContact CG1-CE1 4.38Å; V231-F377 HydrophobicContact CG1-CZ 4.39Å; V231-I411 HydrophobicContact CB-CD1 4.1Å; V231-I411 HydrophobicContact CG2-CB 4.1Å; V231-I411 HydrophobicContact CG2-CD1 3.46Å; V231-I411 VanDerWaalsContact CG2-CD1 3.46Å; V231-I411 HydrophobicContact CG2-CG1 4.37Å; V231-I411 HydrophobicContact CG2-CG2 3.88Å
232	I	88.7	Confident	81.6	Confident	11 Å²	11	51.7 Å²	51.7	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-38.5	179.7	-71.7	166.9	0	0	0	111.5	Q228 M229 T230 K236 L254 R257 V258 L261	Q228-I232 WeakPolarHBondContact O-CG1 3.31Å; Q228-I232 PolarHBondContact O-N 3.12Å; M229-I232 PolarHBondContact O-N 2.91Å; M229-I232 HydrophobicContact SD-CD1 4.12Å; T230-I232 PolarHBondContact O-N 2.85Å; I232-K236 HydrophobicContact CG2-CD 4.16Å; I232-K236 VanDerWaalsContact CG2-CE 3.45Å; I232-K236 VanDerWaalsContact O-CG 3.3Å; I232-K236 WeakPolarHBondContact O-CG 3.3Å; I232-K236 PolarHBondContact O-N 2.87Å; I232-L254 HydrophobicContact CD1-CD1 3.94Å; I232-L254 HydrophobicContact CG1-CD1 3.91Å; I232-R257 HydrophobicContact CD1-CB 4.42Å; I232-V258 HydrophobicContact CG1-CG2 4.05Å; I232-L261 HydrophobicContact CG2-CD1 3.61Å
233	N	88.7	Confident	84.3	Confident	66 Å²	66	45.1 Å²	45.1	35%	0.353	24%	0.237	S	C	.	.	H	α-helix	trans	-70.7	-44.2	-179.7	-71.1	-20.1	0	0	0	112.1	M229 T230 V231 V235 K236 Q237	M229-N233 WeakPolarHBondContact O-CB 3.23Å; M229-N233 PolarHBondContact O-N 2.95Å; M229-N233 PolarHBondContact O-ND2 3.09Å; T230-N233 PolarHBondContact O-N 3.11Å; V231-N233 VanDerWaalsContact C-N 3.3Å; V231-N233 PolarHBondContact O-N 3.48Å; N233-V235 VanDerWaalsContact C-N 3.32Å; N233-V235 PolarHBondContact O-N 2.79Å; N233-K236 PolarHBondContact O-N 2.99Å; N233-Q237 VanDerWaalsContact O-CG 3.3Å; N233-Q237 WeakPolarHBondContact O-CG 3.42Å; N233-Q237 PolarHBondContact O-N 2.89Å
234	F	90.1	Very high	86.1	Confident	55 Å²	55	41.2 Å²	41.2	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-37.8	174.3	-76	-57.6	0	0	0	112.7	T230 V231 Q237 G238 H239 V241 R409 I411	T230-F234 HydrophobicContact CG2-CD2 3.72Å; T230-F234 HydrophobicContact CG2-CE2 3.41Å; T230-F234 VanDerWaalsContact CG2-CE2 3.41Å; T230-F234 HydrophobicContact CG2-CZ 4.42Å; T230-F234 VanDerWaalsContact O-CD2 3.28Å; T230-F234 WeakPolarHBondContact O-CD2 3.31Å; T230-F234 PolarHBondContact O-N 2.87Å; V231-F234 PolarHBondContact O-N 2.89Å; F234-Q237 PolarHBondContact O-N 2.81Å; F234-G238 PolarHBondContact O-N 3.12Å; F234-H239 HydrophobicContact CB-CB 4.44Å; F234-H239 AromaticContact CD1-CD2 3.78Å; F234-H239 PolarHBondContact O-N 3.45Å; F234-H239 VanDerWaalsContact O-N 3.12Å; F234-V241 HydrophobicContact CB-CG2 3.65Å; F234-R409 HydrophobicContact CD1-CG 4.27Å; F234-R409 HydrophobicContact CE1-CG 4.33Å; F234-I411 HydrophobicContact CD2-CD1 3.66Å; F234-I411 HydrophobicContact CE2-CD1 4.1Å
235	V	89.5	Confident	87.8	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-44.3	174.1	174.7	0	0	0	0	111	V231 N233 Q237 G238 V241 V258 L262 Q373 A375	V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 2.78Å; V231-V235 VanDerWaalsContact O-N 3.09Å; N233-V235 VanDerWaalsContact C-N 3.32Å; N233-V235 PolarHBondContact O-N 2.79Å; V235-Q237 VanDerWaalsContact C-N 3.29Å; V235-Q237 PolarHBondContact O-N 2.9Å; V235-G238 PolarHBondContact O-N 2.77Å; V235-G238 VanDerWaalsContact O-N 3.13Å; V235-V241 HydrophobicContact CG2-CB 4.37Å; V235-V241 HydrophobicContact CG2-CG2 3.96Å; V235-V258 HydrophobicContact CG1-CG1 3.98Å; V235-V258 HydrophobicContact CG2-CG1 4.34Å; V235-L262 HydrophobicContact CG1-CD1 4.38Å; V235-L262 HydrophobicContact CG1-CD2 4.24Å; V235-Q373 PolarHBondContact O-NE2 2.78Å; V235-A375 HydrophobicContact CG2-CB 4.33Å
236	K	87	Confident	89	Confident	129 Å²	129	38.9 Å²	38.9	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-61.5	-34	175.4	-73.4	168	-175.9	166.6	0	113.3	I232 N233 G238	I232-K236 HydrophobicContact CG2-CD 4.16Å; I232-K236 VanDerWaalsContact CG2-CE 3.45Å; I232-K236 VanDerWaalsContact O-CG 3.3Å; I232-K236 WeakPolarHBondContact O-CG 3.3Å; I232-K236 PolarHBondContact O-N 2.87Å; N233-K236 PolarHBondContact O-N 2.99Å; K236-G238 PolarHBondContact O-N 3.08Å
237	Q	88	Confident	89.4	Confident	122 Å²	122	34.6 Å²	34.6	57%	0.57	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.1	177.3	-72.9	166.8	-5.7	0	0	113.6	N233 F234 V235 H239	N233-Q237 VanDerWaalsContact O-CG 3.3Å; N233-Q237 WeakPolarHBondContact O-CG 3.42Å; N233-Q237 PolarHBondContact O-N 2.89Å; F234-Q237 PolarHBondContact O-N 2.81Å; V235-Q237 VanDerWaalsContact C-N 3.29Å; V235-Q237 PolarHBondContact O-N 2.9Å; Q237-H239 PolarHBondContact OE1-CD2 2.71Å
238	G	87.4	Confident	89.2	Confident	43 Å²	43	33.5 Å²	33.5	44%	0.443	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	9.3	179.8	0	0	0	0	0	114.8	F234 V235 K236 Q373	F234-G238 PolarHBondContact O-N 3.12Å; V235-G238 PolarHBondContact O-N 2.77Å; V235-G238 VanDerWaalsContact O-N 3.13Å; K236-G238 PolarHBondContact O-N 3.08Å; G238-Q373 VanDerWaalsContact C-NE2 3.28Å
239	H	90.9	Very high	89.3	Confident	73 Å²	73	33.1 Å²	33.1	34%	0.338	18%	0.181	S	C	.	.			trans	-76.9	148.1	178.4	-67.9	-62.9	0	0	0	112.3	F234 Q237 Q373 R409	F234-H239 HydrophobicContact CB-CB 4.44Å; F234-H239 AromaticContact CD1-CD2 3.78Å; F234-H239 PolarHBondContact O-N 3.45Å; F234-H239 VanDerWaalsContact O-N 3.12Å; Q237-H239 PolarHBondContact OE1-CD2 2.71Å; H239-Q373 PolarHBondContact O-NE2 3.01Å; H239-R409 HydrophobicContact CB-CG 4.21Å
240	N	93.7	Very high	89.2	Confident	33 Å²	33	31.3 Å²	31.3	18%	0.176	18%	0.177	C	C	.	.			trans	-70.9	128	164.1	-70.5	-21.2	0	0	0	108.7	Q373 L374 C406 F408 R409	N240-Q373 WeakPolarHBondContact OD1-CA 3.44Å; N240-L374 CarbonylContact C-O 3.58Å; N240-L374 VanDerWaalsContact CA-O 3.3Å; N240-L374 WeakPolarHBondContact CA-O 3.26Å; N240-L374 HydrophobicContact CB-CB 4.49Å; N240-L374 PolarHBondContact OD1-N 3.31Å; N240-C406 PolarHBondContact ND2-O 2.82Å; N240-F408 HydrophobicContact CB-CD1 3.83Å; N240-F408 HydrophobicContact CB-CE1 4.1Å; N240-F408 WeakPolarHBondContact O-CA 3.31Å; N240-R409 PolarHBondContact O-N 2.79Å
241	V	94.3	Very high	89.1	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.8	-175.8	-177.4	0	0	0	0	110.5	V231 F234 V235 L374 I376 R409 I411	V231-V241 HydrophobicContact CG1-CG1 4.26Å; F234-V241 HydrophobicContact CB-CG2 3.65Å; V235-V241 HydrophobicContact CG2-CB 4.37Å; V235-V241 HydrophobicContact CG2-CG2 3.96Å; V241-L374 PolarHBondContact N-O 3.29Å; V241-I376 PolarHBondContact O-N 3.47Å; V241-R409 WeakPolarHBondContact CA-O 3.3Å; V241-I411 HydrophobicContact CG1-CD1 3.92Å
242	F	95.3	Very high	88.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.3	164.3	170.4	-129.3	0	0	0	108.5	T244 I338 I376 F380 W403 F408 R409 V410 I411 F661 I665	F242-T244 HydrophobicContact CE1-CG2 4.04Å; F242-T244 HydrophobicContact CZ-CG2 4.16Å; F242-I338 HydrophobicContact CE2-CG2 3.94Å; F242-I376 CarbonylContact C-O 3.53Å; F242-I376 WeakPolarHBondContact CA-O 3.42Å; F242-I376 HydrophobicContact CD2-CB 4.39Å; F242-I376 HydrophobicContact CD2-CG2 4.09Å; F242-F380 HydrophobicContact CE1-CE2 4.22Å; F242-F380 HydrophobicContact CE2-CE2 4Å; F242-F380 AromaticContact CZ-CD2 3.86Å; F242-F380 HydrophobicContact CZ-CD2 3.86Å; F242-F380 AromaticContact CZ-CE2 3.53Å; F242-F380 HydrophobicContact CZ-CE2 3.53Å; F242-W403 HydrophobicContact CB-CH2 4.27Å; F242-W403 HydrophobicContact CB-CZ2 4.14Å; F242-W403 HydrophobicContact CD1-CH2 4.18Å; F242-W403 AromaticContact CD1-CZ2 3.72Å; F242-W403 HydrophobicContact CD1-CZ2 3.72Å; F242-W403 AromaticContact CD2-CH2 3.74Å; F242-W403 HydrophobicContact CD2-CH2 3.74Å; F242-W403 HydrophobicContact CD2-CZ2 4.14Å; F242-W403 HydrophobicContact CE1-CZ2 4.15Å; F242-W403 HydrophobicContact CE2-CH2 4.1Å; F242-W403 AromaticContact CG-CH2 3.79Å; F242-W403 HydrophobicContact CG-CH2 3.79Å; F242-W403 AromaticContact CG-CZ2 3.72Å; F242-W403 HydrophobicContact CG-CZ2 3.72Å; F242-W403 HydrophobicContact CZ-CH2 4.48Å; F242-F408 HydrophobicContact CB-CB 3.95Å; F242-F408 HydrophobicContact CB-CD1 4.14Å; F242-F408 HydrophobicContact CB-CG 4.05Å; F242-R409 PolarHBondContact N-O 2.91Å; F242-V410 HydrophobicContact CB-CG2 4.43Å; F242-V410 HydrophobicContact CD1-CB 4.39Å; F242-V410 HydrophobicContact CD1-CG1 3.64Å; F242-V410 HydrophobicContact CD1-CG2 4.04Å; F242-V410 HydrophobicContact CE1-CG1 4.14Å; F242-V410 WeakPolarHBondContact O-CA 3.31Å; F242-I411 PolarHBondContact O-N 3Å; F242-F661 HydrophobicContact CD1-CZ 4.48Å; F242-F661 AromaticContact CE1-CE1 3.84Å; F242-F661 HydrophobicContact CE1-CE1 3.84Å; F242-F661 HydrophobicContact CE1-CZ 4.02Å; F242-F661 HydrophobicContact CZ-CE1 4.42Å; F242-I665 HydrophobicContact CE1-CD1 4.44Å
243	C	94.2	Very high	88.5	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.2	178.7	178.3	0	0	0	0	109.7	V231 I376 F377 G378 I411	V231-C243 HydrophobicContact CG1-CB 4.33Å; V231-C243 HydrophobicContact CG2-CB 4.3Å; C243-I376 PolarHBondContact N-O 3.02Å; C243-F377 HydrophobicContact CB-CD1 3.54Å; C243-F377 HydrophobicContact CB-CE1 3.53Å; C243-F377 HydrophobicContact CB-CG 4.36Å; C243-F377 HydrophobicContact CB-CZ 4.34Å; C243-F377 WeakPolarHBondContact O-CA 3.21Å; C243-G378 PolarHBondContact O-N 2.83Å; C243-I411 WeakPolarHBondContact CA-O 3.44Å
244	T	93.4	Very high	88.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-166.4	-174.9	-163.4	0	0	0	0	111.5	F242 G378 V410 I411 E412 L413 Y662	F242-T244 HydrophobicContact CE1-CG2 4.04Å; F242-T244 HydrophobicContact CZ-CG2 4.16Å; T244-G378 VanDerWaalsContact CA-O 3.28Å; T244-G378 WeakPolarHBondContact CA-O 3.39Å; T244-G378 VanDerWaalsContact CB-O 3.32Å; T244-G378 WeakPolarHBondContact CB-O 3.11Å; T244-G378 PolarHBondContact OG1-O 2.9Å; T244-V410 HydrophobicContact CG2-CG1 4.44Å; T244-I411 PolarHBondContact N-O 3.13Å; T244-E412 HydrophobicContact CG2-CB 3.97Å; T244-E412 HydrophobicContact CG2-CG 4.24Å; T244-L413 WeakPolarHBondContact O-CB 3.38Å; T244-L413 WeakPolarHBondContact O-CG 3.45Å; T244-L413 PolarHBondContact O-N 3.41Å; T244-Y662 HydrophobicContact CG2-CE1 3.65Å; T244-Y662 PolarHBondContact OG1-OH 3.48Å
245	G	89.2	Confident	88.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.2	165.9	-174.2	0	0	0	0	0	111.6	K251 D379 L413	G245-K251 PolarHBondContact O-NZ 3.36Å; G245-D379 WeakPolarHBondContact O-CB 3.45Å; G245-D379 VanDerWaalsContact O-CG 3.24Å; G245-L413 VanDerWaalsContact CA-O 3.3Å; G245-L413 WeakPolarHBondContact CA-O 3.4Å
246	G	87.1	Confident	88.1	Confident	11 Å²	11	33 Å²	33	11%	0.113	18%	0.177	C	C	.	.			trans	-61.7	171.3	-171.1	0	0	0	0	0	116.1	G248 T249 K251 D379 Y630	G246-G248 PolarHBondContact O-N 3.39Å; G246-T249 VanDerWaalsContact O-CG2 3.31Å; G246-T249 WeakPolarHBondContact O-CG2 3.28Å; G246-T249 PolarHBondContact O-N 3.37Å; G246-T249 PolarHBondContact O-OG1 3.32Å; G246-K251 PolarHBondContact O-NZ 3.47Å; G246-D379 WeakPolarHBondContact CA-OD2 3.44Å; G246-Y630 WeakPolarHBondContact CA-OH 3.44Å
247	A	85.2	Confident	88	Confident	7 Å²	7	31.4 Å²	31.4	6%	0.058	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	132	166.6	0	0	0	0	0	111	S416 Y630 S634	A247-S416 PolarHBondContact O-OG 3.04Å; A247-Y630 HydrophobicContact CB-CE1 4.39Å; A247-Y630 PolarHBondContact N-OH 2.84Å; A247-S634 VanDerWaalsContact CB-CB 3.48Å; A247-S634 VanDerWaalsContact CB-OG 3.32Å; A247-S634 WeakPolarHBondContact CB-OG 3.42Å
248	G	82.1	Confident	87.9	Confident	15 Å²	15	25.7 Å²	25.7	16%	0.155	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-7.7	179.5	0	0	0	0	0	116.2	G246 G250 W417 R418	G246-G248 PolarHBondContact O-N 3.39Å; G248-G250 PolarHBondContact O-N 3.09Å; G248-W417 PolarHBondContact O-N 2.96Å; G248-W417 VanDerWaalsContact O-N 3.11Å; G248-R418 PolarHBondContact O-N 3.41Å
249	T	86.1	Confident	87.9	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.018	13%	0.13	C	C	.	.	S	Bend	trans	-70.8	8.5	-177.4	61.7	0	0	0	0	116.4	G246 K251 L413 H415	G246-T249 VanDerWaalsContact O-CG2 3.31Å; G246-T249 WeakPolarHBondContact O-CG2 3.28Å; G246-T249 PolarHBondContact O-N 3.37Å; G246-T249 PolarHBondContact O-OG1 3.32Å; T249-K251 PolarHBondContact OG1-NZ 3.24Å; T249-L413 HydrophobicContact CG2-CB 4.31Å; T249-L413 WeakPolarHBondContact CG2-O 3.34Å; T249-H415 WeakPolarHBondContact CA-O 3.38Å
250	G	83.3	Confident	87.3	Confident	21 Å²	21	22.2 Å²	22.2	22%	0.216	12%	0.117	C	C	.	.	S	Bend	trans	82	8.3	175.6	0	0	0	0	0	116.2	G248 S252 H253 L254	G248-G250 PolarHBondContact O-N 3.09Å; G250-S252 PolarHBondContact O-N 3.36Å; G250-H253 WeakPolarHBondContact O-CA 3.32Å; G250-H253 WeakPolarHBondContact O-CB 3.42Å; G250-H253 PolarHBondContact O-N 3.18Å; G250-L254 PolarHBondContact O-N 3.46Å
251	K	88.2	Confident	86.7	Confident	13 Å²	13	23.5 Å²	23.5	6%	0.057	12%	0.124	C	C	.	.	H	α-helix	trans	-41.8	-56.4	178.6	-72	-175.7	-68.4	-72.3	0	114	G245 G246 T249 H253 L254 I255 L413	G245-K251 PolarHBondContact O-NZ 3.36Å; G246-K251 PolarHBondContact O-NZ 3.47Å; T249-K251 PolarHBondContact OG1-NZ 3.24Å; K251-H253 PolarHBondContact O-N 3.43Å; K251-L254 WeakPolarHBondContact O-CA 3.29Å; K251-L254 WeakPolarHBondContact O-CB 3.49Å; K251-L254 PolarHBondContact O-N 2.98Å; K251-L254 VanDerWaalsContact O-N 3.07Å; K251-I255 WeakPolarHBondContact O-CG1 3.27Å; K251-I255 PolarHBondContact O-N 2.67Å; K251-L413 HydrophobicContact CG-CD1 3.99Å
252	S	82.3	Confident	86.2	Confident	27 Å²	27	24.2 Å²	24.2	19%	0.189	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-20.6	-178	-42.7	0	0	0	0	114.1	G250 R256 D336	G250-S252 PolarHBondContact O-N 3.36Å; S252-R256 PolarHBondContact O-N 2.81Å; S252-D336 PolarHBondContact OG-OD2 3.48Å
253	H	82.9	Confident	85.5	Confident	87 Å²	87	25.6 Å²	25.6	40%	0.403	14%	0.136	S	C	.	.	H	α-helix	trans	-77.1	-41	170.3	-178.9	69.1	0	0	0	111.5	G250 K251 I255 R256 R257	G250-H253 WeakPolarHBondContact O-CA 3.32Å; G250-H253 WeakPolarHBondContact O-CB 3.42Å; G250-H253 PolarHBondContact O-N 3.18Å; K251-H253 PolarHBondContact O-N 3.43Å; H253-I255 VanDerWaalsContact C-N 3.33Å; H253-I255 PolarHBondContact O-N 3.08Å; H253-R256 PolarHBondContact O-N 2.88Å; H253-R257 PolarHBondContact O-N 3.48Å
254	L	88.2	Confident	84.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-40.1	172.5	179.9	58.4	0	0	0	111.8	Q228 V231 I232 G250 K251 R256 R257 V258 F377 L413	Q228-L254 HydrophobicContact CB-CD1 4.07Å; Q228-L254 HydrophobicContact CG-CD1 4.48Å; Q228-L254 HydrophobicContact CG-CD2 4.31Å; V231-L254 HydrophobicContact CB-CD2 3.97Å; V231-L254 HydrophobicContact CG1-CD2 3.89Å; V231-L254 HydrophobicContact CG1-CG 4.37Å; V231-L254 HydrophobicContact CG2-CD2 3.93Å; I232-L254 HydrophobicContact CD1-CD1 3.94Å; I232-L254 HydrophobicContact CG1-CD1 3.91Å; G250-L254 PolarHBondContact O-N 3.46Å; K251-L254 WeakPolarHBondContact O-CA 3.29Å; K251-L254 WeakPolarHBondContact O-CB 3.49Å; K251-L254 PolarHBondContact O-N 2.98Å; K251-L254 VanDerWaalsContact O-N 3.07Å; L254-R256 PolarHBondContact O-N 3.23Å; L254-R257 WeakPolarHBondContact O-CB 3.41Å; L254-R257 PolarHBondContact O-N 3.1Å; L254-V258 HydrophobicContact CD1-CG2 4.35Å; L254-V258 WeakPolarHBondContact O-CG2 3.49Å; L254-V258 PolarHBondContact O-N 3.12Å; L254-F377 HydrophobicContact CD2-CE1 4.14Å; L254-F377 HydrophobicContact CG-CE1 4.21Å; L254-L413 HydrophobicContact CD2-CD1 4.2Å
255	I	88.9	Confident	84.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.9	-48.4	173.3	-69.2	172	0	0	0	111.2	K251 H253 R257 V258 V259 I280 V334 D336 F377	K251-I255 WeakPolarHBondContact O-CG1 3.27Å; K251-I255 PolarHBondContact O-N 2.67Å; H253-I255 VanDerWaalsContact C-N 3.33Å; H253-I255 PolarHBondContact O-N 3.08Å; I255-R257 VanDerWaalsContact C-N 3.3Å; I255-R257 PolarHBondContact O-N 2.94Å; I255-V258 PolarHBondContact O-N 3.25Å; I255-V258 VanDerWaalsContact O-N 3.14Å; I255-V259 HydrophobicContact CG2-CG2 4.15Å; I255-V259 WeakPolarHBondContact O-CB 3.49Å; I255-V259 VanDerWaalsContact O-CG2 3.32Å; I255-V259 WeakPolarHBondContact O-CG2 3.4Å; I255-V259 PolarHBondContact O-N 3.11Å; I255-I280 HydrophobicContact CB-CG2 4.45Å; I255-I280 HydrophobicContact CD1-CG2 4.43Å; I255-I280 HydrophobicContact CG2-CB 4.1Å; I255-I280 HydrophobicContact CG2-CD1 4.44Å; I255-I280 HydrophobicContact CG2-CG2 3.96Å; I255-V334 HydrophobicContact CG2-CG1 4.08Å; I255-D336 HydrophobicContact CD1-CB 3.63Å; I255-D336 WeakPolarHBondContact CD1-OD1 3.22Å; I255-D336 VanDerWaalsContact CD1-OD2 3.3Å; I255-D336 WeakPolarHBondContact CD1-OD2 3.47Å; I255-F377 HydrophobicContact CD1-CB 3.68Å; I255-F377 HydrophobicContact CD1-CD1 4.06Å; I255-F377 HydrophobicContact CD1-CD2 3.78Å; I255-F377 HydrophobicContact CD1-CE2 4.45Å; I255-F377 HydrophobicContact CD1-CG 3.57Å; I255-F377 HydrophobicContact CG1-CB 4.22Å; I255-F377 HydrophobicContact CG1-CD1 3.66Å; I255-F377 HydrophobicContact CG1-CD2 3.56Å; I255-F377 HydrophobicContact CG1-CE1 3.83Å; I255-F377 HydrophobicContact CG1-CE2 3.73Å; I255-F377 HydrophobicContact CG1-CG 3.54Å; I255-F377 HydrophobicContact CG1-CZ 3.87Å
256	R	83.2	Confident	84	Confident	108 Å²	108	34 Å²	34	41%	0.408	18%	0.178	S	C	.	.	H	α-helix	trans	-60.2	-39.4	178.1	-66	-179.7	-161.6	129.8	2.5	112.2	S252 H253 L254 G260 L279	S252-R256 PolarHBondContact O-N 2.81Å; H253-R256 PolarHBondContact O-N 2.88Å; L254-R256 PolarHBondContact O-N 3.23Å; R256-G260 PolarHBondContact O-N 3.45Å; R256-L279 PolarHBondContact NE-O 3.06Å; R256-L279 PolarHBondContact NH2-O 2.94Å
257	R	84.3	Confident	84.1	Confident	96 Å²	96	34.4 Å²	34.4	36%	0.362	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-43.8	173.9	-72.6	178.4	166.3	174.5	-6.3	111.8	I232 H253 L254 I255 G260 L261	I232-R257 HydrophobicContact CD1-CB 4.42Å; H253-R257 PolarHBondContact O-N 3.48Å; L254-R257 WeakPolarHBondContact O-CB 3.41Å; L254-R257 PolarHBondContact O-N 3.1Å; I255-R257 VanDerWaalsContact C-N 3.3Å; I255-R257 PolarHBondContact O-N 2.94Å; R257-G260 PolarHBondContact O-N 2.93Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.44Å; R257-L261 PolarHBondContact O-N 3.23Å
258	V	86.4	Confident	84.4	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-47.2	177.5	170.2	0	0	0	0	111	I232 V235 L254 I255 G260 L261 L262	I232-V258 HydrophobicContact CG1-CG2 4.05Å; V235-V258 HydrophobicContact CG1-CG1 3.98Å; V235-V258 HydrophobicContact CG2-CG1 4.34Å; L254-V258 HydrophobicContact CD1-CG2 4.35Å; L254-V258 WeakPolarHBondContact O-CG2 3.49Å; L254-V258 PolarHBondContact O-N 3.12Å; I255-V258 PolarHBondContact O-N 3.25Å; I255-V258 VanDerWaalsContact O-N 3.14Å; V258-G260 VanDerWaalsContact C-N 3.34Å; V258-G260 PolarHBondContact O-N 3.21Å; V258-L261 PolarHBondContact O-N 3.14Å; V258-L261 VanDerWaalsContact O-N 3.16Å; V258-L262 HydrophobicContact CG1-CD1 4.06Å; V258-L262 WeakPolarHBondContact O-CG 2.96Å; V258-L262 PolarHBondContact O-N 3.12Å
259	V	85.9	Confident	84.7	Confident	36 Å²	36	34.8 Å²	34.8	22%	0.218	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-40	176.7	173	0	0	0	0	111.5	I255 L261 L262 V269 V334	I255-V259 HydrophobicContact CG2-CG2 4.15Å; I255-V259 WeakPolarHBondContact O-CB 3.49Å; I255-V259 VanDerWaalsContact O-CG2 3.32Å; I255-V259 WeakPolarHBondContact O-CG2 3.4Å; I255-V259 PolarHBondContact O-N 3.11Å; V259-L261 PolarHBondContact O-N 3.04Å; V259-L261 VanDerWaalsContact O-N 3.17Å; V259-L262 PolarHBondContact O-N 3.3Å; V259-V269 HydrophobicContact CB-CG2 4.39Å; V259-V269 HydrophobicContact CG1-CG2 3.83Å; V259-V269 HydrophobicContact CG2-CG1 4.29Å; V259-V269 HydrophobicContact CG2-CG2 3.55Å; V259-V334 HydrophobicContact CG2-CG2 4.3Å
260	G	78.7	Confident	85	Confident	6 Å²	6	34.7 Å²	34.7	6%	0.062	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-18.2	176.2	0	0	0	0	0	115.2	P98 R256 R257 V258	P98-G260 CarbonylContact C-O 3.52Å; P98-G260 WeakPolarHBondContact CB-O 3.48Å; R256-G260 PolarHBondContact O-N 3.45Å; R257-G260 PolarHBondContact O-N 2.93Å; V258-G260 VanDerWaalsContact C-N 3.34Å; V258-G260 PolarHBondContact O-N 3.21Å
261	L	81.6	Confident	85.4	Confident	61 Å²	61	33.7 Å²	33.7	32%	0.319	17%	0.167	S	C	.	.	H	α-helix	trans	-95.4	-22.1	178.1	-67.9	168.5	0	0	0	113.8	I232 R257 V258 V259	I232-L261 HydrophobicContact CG2-CD1 3.61Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.44Å; R257-L261 PolarHBondContact O-N 3.23Å; V258-L261 PolarHBondContact O-N 3.14Å; V258-L261 VanDerWaalsContact O-N 3.16Å; V259-L261 PolarHBondContact O-N 3.04Å; V259-L261 VanDerWaalsContact O-N 3.17Å
262	L	83.2	Confident	85.4	Confident	15 Å²	15	33.7 Å²	33.7	8%	0.079	17%	0.168	C	C	.	.	S	Bend	trans	-90.1	152.3	-176.4	-67.4	175.1	0	0	0	111.7	V235 V258 V259 T267 Y332	V235-L262 HydrophobicContact CG1-CD1 4.38Å; V235-L262 HydrophobicContact CG1-CD2 4.24Å; V258-L262 HydrophobicContact CG1-CD1 4.06Å; V258-L262 WeakPolarHBondContact O-CG 2.96Å; V258-L262 PolarHBondContact O-N 3.12Å; V259-L262 PolarHBondContact O-N 3.3Å; L262-T267 HydrophobicContact CB-CG2 4.19Å; L262-T267 WeakPolarHBondContact CB-OG1 3.32Å; L262-T267 HydrophobicContact CD1-CG2 3.98Å; L262-Y332 HydrophobicContact CD1-CD1 4.22Å; L262-Y332 HydrophobicContact CD1-CG 4.14Å; L262-Y332 HydrophobicContact CD2-CD1 3.73Å; L262-Y332 HydrophobicContact CD2-CD2 4.36Å; L262-Y332 HydrophobicContact CD2-CE1 3.68Å; L262-Y332 HydrophobicContact CD2-CE2 4.35Å; L262-Y332 HydrophobicContact CD2-CG 4.09Å
263	P	81.5	Confident	85.4	Confident	30 Å²	30	34.4 Å²	34.4	20%	0.195	17%	0.171	C	C	.	.			trans	-72.3	123.1	176.5	29.2	-33.4	0	0	0	110.5	E265 Y266 T267 Y332	P263-E265 VanDerWaalsContact C-N 3.3Å; P263-E265 PolarHBondContact O-N 3.39Å; P263-Y266 HydrophobicContact CB-CD2 4.17Å; P263-Y266 HydrophobicContact CG-CD2 4.11Å; P263-Y266 PolarHBondContact O-N 3.3Å; P263-T267 WeakPolarHBondContact O-CB 3.5Å; P263-T267 PolarHBondContact O-N 2.76Å; P263-T267 PolarHBondContact O-OG1 3.45Å; P263-Y332 HydrophobicContact CG-CD2 4.44Å; P263-Y332 HydrophobicContact CG-CE2 3.86Å
264	P	79.5	Confident	85	Confident	46 Å²	46	30.6 Å²	30.6	30%	0.299	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-68.4	-26.4	-169.4	26.3	-34.9	0	0	0	113.4	N96 Y266 T267	N96-P264 WeakPolarHBondContact OD1-CD 3.43Å; P264-Y266 PolarHBondContact O-N 3.49Å; P264-T267 PolarHBondContact O-N 2.94Å
265	E	79.1	Confident	84.3	Confident	80 Å²	80	34 Å²	34	37%	0.374	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-71.9	-16.4	-179	-157.1	-166.8	159.6	0	0	113.7	N96 P263 K329	N96-E265 HydrophobicContact CB-CB 3.93Å; N96-E265 WeakPolarHBondContact CB-OE2 3.26Å; N96-E265 VanDerWaalsContact CG-OE2 3.3Å; N96-E265 VanDerWaalsContact ND2-CB 3.34Å; N96-E265 WeakPolarHBondContact ND2-CB 3.35Å; N96-E265 PolarHBondContact ND2-OE2 2.99Å; N96-E265 WeakPolarHBondContact OD1-CB 3.48Å; N96-E265 PolarHBondContact OD1-N 3.02Å; N96-E265 VanDerWaalsContact OD1-N 3.14Å; P263-E265 VanDerWaalsContact C-N 3.3Å; P263-E265 PolarHBondContact O-N 3.39Å; E265-K329 WeakPolarHBondContact OE1-CE 3.49Å; E265-K329 IonicContact OE1-NZ 2.71Å; E265-K329 PolarHBondContact OE1-NZ 2.7Å
266	Y	87.1	Confident	83.8	Confident	50 Å²	50	34.5 Å²	34.5	20%	0.196	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-117.5	6.3	-178.3	-57.1	-67.2	0	0	0	113.3	P263 P264 K329 R331 Y332	P263-Y266 HydrophobicContact CB-CD2 4.17Å; P263-Y266 HydrophobicContact CG-CD2 4.11Å; P263-Y266 PolarHBondContact O-N 3.3Å; P264-Y266 PolarHBondContact O-N 3.49Å; Y266-K329 HydrophobicContact CD1-CG 3.94Å; Y266-K329 WeakPolarHBondContact CD1-O 3.36Å; Y266-K329 HydrophobicContact CE1-CG 4Å; Y266-R331 HydrophobicContact CD1-CG 4.39Å; Y266-R331 HydrophobicContact CG-CG 4.39Å; Y266-R331 PolarHBondContact O-N 3.25Å; Y266-Y332 PolarHBondContact O-N 2.76Å
267	T	88.7	Confident	83.6	Confident	19 Å²	19	29.5 Å²	29.5	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.7	-172.6	-56.1	0	0	0	0	110.6	L262 P263 P264 V269 Y332 V334	L262-T267 HydrophobicContact CB-CG2 4.19Å; L262-T267 WeakPolarHBondContact CB-OG1 3.32Å; L262-T267 HydrophobicContact CD1-CG2 3.98Å; P263-T267 WeakPolarHBondContact O-CB 3.5Å; P263-T267 PolarHBondContact O-N 2.76Å; P263-T267 PolarHBondContact O-OG1 3.45Å; P264-T267 PolarHBondContact O-N 2.94Å; T267-V269 HydrophobicContact CG2-CG2 4.36Å; T267-Y332 WeakPolarHBondContact CA-O 3.32Å; T267-Y332 WeakPolarHBondContact OG1-CD2 3.39Å; T267-V334 HydrophobicContact CG2-CG2 4.33Å
268	A	90.4	Very high	83	Confident	10 Å²	10	28.5 Å²	28.5	8%	0.083	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.6	169.5	0	0	0	0	0	109.5	F288 L330 Y332 L333 V334	A268-F288 HydrophobicContact CB-CD2 3.96Å; A268-F288 HydrophobicContact CB-CE1 4.28Å; A268-F288 HydrophobicContact CB-CE2 3.34Å; A268-F288 HydrophobicContact CB-CZ 3.54Å; A268-L330 HydrophobicContact CB-CD1 3.51Å; A268-L330 HydrophobicContact CB-CD2 4.32Å; A268-Y332 PolarHBondContact N-O 3.43Å; A268-L333 HydrophobicContact CB-CD1 3.84Å; A268-V334 PolarHBondContact O-N 3.07Å
269	V	90.4	Very high	82.3	Confident	21 Å²	21	31 Å²	31	13%	0.127	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122	172.9	-173.9	0	0	0	0	107.8	V259 T267 I280 G282 L283	V259-V269 HydrophobicContact CB-CG2 4.39Å; V259-V269 HydrophobicContact CG1-CG2 3.83Å; V259-V269 HydrophobicContact CG2-CG1 4.29Å; V259-V269 HydrophobicContact CG2-CG2 3.55Å; T267-V269 HydrophobicContact CG2-CG2 4.36Å; V269-I280 HydrophobicContact CG1-CB 4.28Å; V269-I280 HydrophobicContact CG1-CD1 3.57Å; V269-I280 HydrophobicContact CG1-CG1 3.71Å; V269-G282 CarbonylContact O-C 3.58Å; V269-G282 WeakPolarHBondContact O-CA 3.3Å; V269-L283 PolarHBondContact O-N 2.68Å
270	T	92.4	Very high	81.9	Confident	1 Å²	1	30 Å²	30	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.9	-175.6	67.5	0	0	0	0	112.2	L283 V285 F288 L333 V334 I335 D336	T270-L283 CarbonylContact C-O 3.47Å; T270-L283 WeakPolarHBondContact CA-O 3.28Å; T270-V285 WeakPolarHBondContact OG1-CG2 3.49Å; T270-F288 HydrophobicContact CG2-CB 3.62Å; T270-F288 HydrophobicContact CG2-CD1 3.79Å; T270-F288 HydrophobicContact CG2-CD2 4.18Å; T270-F288 HydrophobicContact CG2-CG 3.55Å; T270-L333 HydrophobicContact CG2-CD1 3.91Å; T270-V334 WeakPolarHBondContact CA-O 3.34Å; T270-V334 PolarHBondContact N-O 3.04Å; T270-V334 PolarHBondContact OG1-O 2.96Å; T270-I335 CarbonylContact O-C 3.3Å; T270-I335 VanDerWaalsContact O-CA 3.31Å; T270-I335 WeakPolarHBondContact O-CA 3.48Å; T270-D336 PolarHBondContact O-N 3.26Å
271	A	90.2	Very high	81.4	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166.9	168.5	0	0	0	0	0	111.2	A276 A277 I280 L283 T284 V285 D336	A271-A276 HydrophobicContact CB-CB 3.66Å; A271-A277 HydrophobicContact CB-CB 4.07Å; A271-I280 HydrophobicContact CB-CD1 4.2Å; A271-L283 PolarHBondContact N-O 3.01Å; A271-T284 CarbonylContact O-C 3.51Å; A271-T284 WeakPolarHBondContact O-CA 3.43Å; A271-V285 PolarHBondContact O-N 3.13Å; A271-D336 WeakPolarHBondContact CA-O 3.32Å; A271-D336 HydrophobicContact CB-CB 4.03Å
272	S	89	Confident	81.1	Confident	13 Å²	13	30.7 Å²	30.7	9%	0.091	20%	0.196	C	C	.	.	S	Bend	trans	-65.7	-38.8	174.9	53.8	0	0	0	0	113.5	D336 E337	S272-D336 PolarHBondContact N-O 3.21Å; S272-E337 WeakPolarHBondContact CB-O 3.48Å; S272-E337 VanDerWaalsContact OG-CB 3.31Å; S272-E337 WeakPolarHBondContact OG-CB 3.3Å; S272-E337 PolarHBondContact OG-O 2.84Å
273	T	82.7	Confident	81.1	Confident	41 Å²	41	31.4 Å²	31.4	25%	0.252	20%	0.199	S	C	.	.	S	Bend	trans	-114.7	153.7	-177.8	67.5	0	0	0	0	113	S275 A276 A277 M340	T273-S275 VanDerWaalsContact C-N 3.33Å; T273-S275 PolarHBondContact O-N 3.14Å; T273-A276 PolarHBondContact O-N 2.93Å; T273-A276 VanDerWaalsContact OG1-CB 3.29Å; T273-A276 WeakPolarHBondContact OG1-CB 3.44Å; T273-A276 PolarHBondContact OG1-N 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.29Å; T273-A277 PolarHBondContact O-N 2.95Å; T273-M340 HydrophobicContact CG2-CE 3.65Å; T273-M340 HydrophobicContact CG2-SD 3.69Å
274	G	73.8	Confident	81.4	Confident	8 Å²	8	30.9 Å²	30.9	8%	0.082	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-40	176.3	0	0	0	0	0	113.1	A277 N278	G274-A277 PolarHBondContact O-N 3.11Å; G274-N278 WeakPolarHBondContact O-CB 3.39Å; G274-N278 VanDerWaalsContact O-CG 3.28Å; G274-N278 PolarHBondContact O-N 3.08Å; G274-N278 PolarHBondContact O-ND2 2.85Å
275	S	73	Confident	81.8	Confident	70 Å²	70	28.8 Å²	28.8	49%	0.49	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-43.5	176.2	-54.5	0	0	0	0	112.7	T273 L279	T273-S275 VanDerWaalsContact C-N 3.33Å; T273-S275 PolarHBondContact O-N 3.14Å; S275-L279 PolarHBondContact O-N 3.09Å
276	A	78.6	Confident	82.1	Confident	12 Å²	12	27.1 Å²	27.1	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-43.2	175.7	0	0	0	0	0	111.5	A271 T273 N278 L279 I280 E337	A271-A276 HydrophobicContact CB-CB 3.66Å; T273-A276 PolarHBondContact O-N 2.93Å; T273-A276 VanDerWaalsContact OG1-CB 3.29Å; T273-A276 WeakPolarHBondContact OG1-CB 3.44Å; T273-A276 PolarHBondContact OG1-N 3.3Å; A276-N278 PolarHBondContact O-N 2.79Å; A276-L279 WeakPolarHBondContact O-CB 3.45Å; A276-L279 PolarHBondContact O-N 3.25Å; A276-L279 VanDerWaalsContact O-N 3.11Å; A276-I280 PolarHBondContact O-N 3.49Å; A276-E337 HydrophobicContact CB-CG 4.03Å
277	A	79.5	Confident	81.9	Confident	2 Å²	2	27 Å²	27	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-47.7	176.9	0	0	0	0	0	111.7	A271 T273 G274 L279 I280 G281 G282 L283	A271-A277 HydrophobicContact CB-CB 4.07Å; T273-A277 WeakPolarHBondContact O-CB 3.29Å; T273-A277 PolarHBondContact O-N 2.95Å; G274-A277 PolarHBondContact O-N 3.11Å; A277-L279 VanDerWaalsContact C-N 3.3Å; A277-L279 PolarHBondContact O-N 3.13Å; A277-I280 WeakPolarHBondContact O-CG1 3.46Å; A277-I280 PolarHBondContact O-N 2.94Å; A277-G281 PolarHBondContact O-N 3.03Å; A277-G282 PolarHBondContact O-N 3.08Å; A277-L283 VanDerWaalsContact CB-C 3.41Å; A277-L283 WeakPolarHBondContact CB-O 3.4Å
278	N	70.8	Confident	81.7	Confident	75 Å²	75	26.6 Å²	26.6	40%	0.401	18%	0.176	S	C	.	.	H	α-helix	trans	-60.8	-35.7	176.2	-73.4	-43	0	0	0	112.9	G274 A276 I280 G281 S510	G274-N278 WeakPolarHBondContact O-CB 3.39Å; G274-N278 VanDerWaalsContact O-CG 3.28Å; G274-N278 PolarHBondContact O-N 3.08Å; G274-N278 PolarHBondContact O-ND2 2.85Å; A276-N278 PolarHBondContact O-N 2.79Å; N278-I280 VanDerWaalsContact C-N 3.28Å; N278-I280 PolarHBondContact O-N 2.85Å; N278-G281 PolarHBondContact O-N 3.03Å; N278-S510 PolarHBondContact ND2-O 3.19Å
279	L	72.6	Confident	81.5	Confident	54 Å²	54	26.1 Å²	26.1	28%	0.283	17%	0.172	S	C	.	.	H	α-helix	trans	-68.5	-25.1	-178.6	-174.3	63.6	0	0	0	113.9	R256 S275 A276 A277	R256-L279 PolarHBondContact NE-O 3.06Å; R256-L279 PolarHBondContact NH2-O 2.94Å; S275-L279 PolarHBondContact O-N 3.09Å; A276-L279 WeakPolarHBondContact O-CB 3.45Å; A276-L279 PolarHBondContact O-N 3.25Å; A276-L279 VanDerWaalsContact O-N 3.11Å; A277-L279 VanDerWaalsContact C-N 3.3Å; A277-L279 PolarHBondContact O-N 3.13Å
280	I	76.4	Confident	80.9	Confident	15 Å²	15	26 Å²	26	8%	0.077	18%	0.175	C	C	.	.	H	α-helix	trans	-106.5	-2.5	177.8	66.5	-178.3	0	0	0	113.3	I255 V269 A271 A276 A277 N278 D336	I255-I280 HydrophobicContact CB-CG2 4.45Å; I255-I280 HydrophobicContact CD1-CG2 4.43Å; I255-I280 HydrophobicContact CG2-CB 4.1Å; I255-I280 HydrophobicContact CG2-CD1 4.44Å; I255-I280 HydrophobicContact CG2-CG2 3.96Å; V269-I280 HydrophobicContact CG1-CB 4.28Å; V269-I280 HydrophobicContact CG1-CD1 3.57Å; V269-I280 HydrophobicContact CG1-CG1 3.71Å; A271-I280 HydrophobicContact CB-CD1 4.2Å; A276-I280 PolarHBondContact O-N 3.49Å; A277-I280 WeakPolarHBondContact O-CG1 3.46Å; A277-I280 PolarHBondContact O-N 2.94Å; N278-I280 VanDerWaalsContact C-N 3.28Å; N278-I280 PolarHBondContact O-N 2.85Å; I280-D336 HydrophobicContact CD1-CB 3.73Å
281	G	69.6	Low	80.2	Confident	69 Å²	69	26.5 Å²	26.5	71%	0.711	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	28.1	-177.8	0	0	0	0	0	114.3	A277 N278	A277-G281 PolarHBondContact O-N 3.03Å; N278-G281 PolarHBondContact O-N 3.03Å
282	G	74.9	Confident	79	Confident	13 Å²	13	27.5 Å²	27.5	13%	0.134	19%	0.187	C	C	.	.			trans	-110.3	-166.7	179.9	0	0	0	0	0	114	V269 A277	V269-G282 CarbonylContact O-C 3.58Å; V269-G282 WeakPolarHBondContact O-CA 3.3Å; A277-G282 PolarHBondContact O-N 3.08Å
283	L	83.3	Confident	78.2	Confident	30 Å²	30	30.1 Å²	30.1	16%	0.157	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	165.7	176.3	-59.8	179.8	0	0	0	111.5	V269 T270 A271 A277 F288 C582 V584	V269-L283 PolarHBondContact O-N 2.68Å; T270-L283 CarbonylContact C-O 3.47Å; T270-L283 WeakPolarHBondContact CA-O 3.28Å; A271-L283 PolarHBondContact N-O 3.01Å; A277-L283 VanDerWaalsContact CB-C 3.41Å; A277-L283 WeakPolarHBondContact CB-O 3.4Å; L283-F288 HydrophobicContact CB-CB 4.33Å; L283-C582 HydrophobicContact CD2-CB 4.05Å; L283-C582 WeakPolarHBondContact CD2-O 3.33Å; L283-V584 HydrophobicContact CD1-CG1 4.07Å
284	T	86.6	Confident	78	Confident	19 Å²	19	29.2 Å²	29.2	12%	0.117	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	150	163.4	72.6	0	0	0	0	109.4	A271 H286 T287 F288	A271-T284 CarbonylContact O-C 3.51Å; A271-T284 WeakPolarHBondContact O-CA 3.43Å; T284-H286 PolarHBondContact O-N 3.26Å; T284-T287 PolarHBondContact O-N 3.3Å; T284-T287 WeakPolarHBondContact OG1-CB 3.46Å; T284-T287 PolarHBondContact OG1-N 3.16Å; T284-T287 PolarHBondContact OG1-OG1 3.46Å; T284-F288 WeakPolarHBondContact O-CB 3.27Å; T284-F288 PolarHBondContact O-N 2.68Å
285	V	89.5	Confident	78.1	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-56.6	-37.1	174.3	164.3	0	0	0	0	111.9	T270 A271 F288 S289 I335 L341 V345 L349	T270-V285 WeakPolarHBondContact OG1-CG2 3.49Å; A271-V285 PolarHBondContact O-N 3.13Å; V285-F288 PolarHBondContact O-N 2.79Å; V285-S289 PolarHBondContact O-N 3.24Å; V285-I335 HydrophobicContact CG2-CG2 4.14Å; V285-L341 HydrophobicContact CB-CD1 4.46Å; V285-L341 HydrophobicContact CG1-CD1 4.28Å; V285-L341 HydrophobicContact CG2-CD1 4.02Å; V285-V345 HydrophobicContact CG1-CG1 4.46Å; V285-L349 HydrophobicContact CG1-CD1 3.37Å; V285-L349 HydrophobicContact CG1-CD2 3.9Å; V285-L349 HydrophobicContact CG1-CG 4.21Å
286	H	85.4	Confident	78	Confident	45 Å²	45	30.2 Å²	30.2	21%	0.208	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-51.5	176.3	-61.3	117.6	0	0	0	112.2	T284 F288 S289 E296	T284-H286 PolarHBondContact O-N 3.26Å; H286-F288 PolarHBondContact O-N 3.02Å; H286-S289 PolarHBondContact O-N 3.37Å; H286-S289 PolarHBondContact O-OG 2.82Å; H286-E296 IonicContact CD2-OE1 3.96Å; H286-E296 IonicContact CE1-OE1 3.88Å; H286-E296 PolarHBondContact CE1-OE1 3.06Å; H286-E296 VanDerWaalsContact CE1-OE1 3.27Å; H286-E296 IonicContact ND1-OE1 2.89Å; H286-E296 IonicContact NE2-OE1 3.74Å; H286-E296 PolarHBondContact NE2-OE1 3.2Å
287	T	82.4	Confident	77.7	Confident	47 Å²	47	30.8 Å²	30.8	29%	0.288	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-44	175.5	-55.4	0	0	0	0	111.3	T284 S289 G290	T284-T287 PolarHBondContact O-N 3.3Å; T284-T287 WeakPolarHBondContact OG1-CB 3.46Å; T284-T287 PolarHBondContact OG1-N 3.16Å; T284-T287 PolarHBondContact OG1-OG1 3.46Å; T287-S289 VanDerWaalsContact C-N 3.34Å; T287-S289 PolarHBondContact O-N 3.47Å; T287-G290 PolarHBondContact O-N 3.04Å
288	F	85.2	Confident	77.1	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-40.1	178.8	171.3	-105.3	0	0	0	112.7	A268 T270 L283 T284 V285 H286 G290 R326 W327 L330 L333 V584	A268-F288 HydrophobicContact CB-CD2 3.96Å; A268-F288 HydrophobicContact CB-CE1 4.28Å; A268-F288 HydrophobicContact CB-CE2 3.34Å; A268-F288 HydrophobicContact CB-CZ 3.54Å; T270-F288 HydrophobicContact CG2-CB 3.62Å; T270-F288 HydrophobicContact CG2-CD1 3.79Å; T270-F288 HydrophobicContact CG2-CD2 4.18Å; T270-F288 HydrophobicContact CG2-CG 3.55Å; L283-F288 HydrophobicContact CB-CB 4.33Å; T284-F288 WeakPolarHBondContact O-CB 3.27Å; T284-F288 PolarHBondContact O-N 2.68Å; V285-F288 PolarHBondContact O-N 2.79Å; H286-F288 PolarHBondContact O-N 3.02Å; F288-G290 PolarHBondContact O-N 2.83Å; F288-R326 VanDerWaalsContact O-CZ 3.25Å; F288-R326 PolarHBondContact O-NH1 3.14Å; F288-R326 PolarHBondContact O-NH2 2.74Å; F288-W327 HydrophobicContact CD1-CH2 4.39Å; F288-W327 HydrophobicContact CD1-CZ2 4.3Å; F288-W327 AromaticContact CE1-CH2 3.62Å; F288-W327 HydrophobicContact CE1-CH2 3.62Å; F288-W327 AromaticContact CE1-CZ2 3.72Å; F288-W327 HydrophobicContact CE1-CZ2 3.72Å; F288-W327 HydrophobicContact CE1-CZ3 4.07Å; F288-W327 HydrophobicContact CZ-CH2 4.46Å; F288-W327 HydrophobicContact CZ-CZ2 4.45Å; F288-L330 HydrophobicContact CE1-CD2 4.4Å; F288-L330 HydrophobicContact CZ-CD2 3.8Å; F288-L333 HydrophobicContact CD1-CD1 4.29Å; F288-L333 HydrophobicContact CE1-CD1 3.89Å; F288-L333 HydrophobicContact CZ-CD1 4.38Å; F288-V584 HydrophobicContact CD2-CG1 3.67Å; F288-V584 HydrophobicContact CE2-CG1 4.15Å
289	S	84.7	Confident	76.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-35.7	179.9	74	0	0	0	0	112.5	V285 H286 T287 L291 G292 L295 R326 W327	V285-S289 PolarHBondContact O-N 3.24Å; H286-S289 PolarHBondContact O-N 3.37Å; H286-S289 PolarHBondContact O-OG 2.82Å; T287-S289 VanDerWaalsContact C-N 3.34Å; T287-S289 PolarHBondContact O-N 3.47Å; S289-L291 PolarHBondContact OG-N 3.32Å; S289-G292 PolarHBondContact OG-N 3.26Å; S289-L295 VanDerWaalsContact CB-CD1 3.48Å; S289-L295 VanDerWaalsContact OG-CD1 3.31Å; S289-L295 WeakPolarHBondContact OG-CD1 3.34Å; S289-R326 PolarHBondContact O-NH2 2.72Å; S289-W327 PolarHBondContact O-NE1 3.28Å
290	G	78.3	Confident	76.6	Confident	19 Å²	19	39.1 Å²	39.1	20%	0.196	25%	0.246	C	C	.	.	S	Bend	trans	76.8	1.9	-167.2	0	0	0	0	0	113.8	T287 F288 I323	T287-G290 PolarHBondContact O-N 3.04Å; F288-G290 PolarHBondContact O-N 2.83Å; G290-I323 WeakPolarHBondContact O-CD1 3.33Å
291	L	77.6	Confident	76	Confident	11 Å²	11	41.7 Å²	41.7	6%	0.058	26%	0.258	C	S	.	.			trans	-134.1	31.8	-171.7	-63.2	176.2	0	0	0	111.9	S289 G293 L294 L295 L313 R316 L317 I323 I352	S289-L291 PolarHBondContact OG-N 3.32Å; L291-G293 PolarHBondContact O-N 3.37Å; L291-L294 HydrophobicContact CB-CB 4.37Å; L291-L294 WeakPolarHBondContact O-CA 3.48Å; L291-L294 WeakPolarHBondContact O-CB 3.35Å; L291-L294 PolarHBondContact O-N 2.7Å; L291-L295 PolarHBondContact O-N 3.22Å; L291-L313 HydrophobicContact CD1-CD1 3.49Å; L291-L313 VanDerWaalsContact CD1-CD1 3.49Å; L291-R316 HydrophobicContact CD2-CB 3.91Å; L291-L317 HydrophobicContact CD1-CD2 4Å; L291-I323 HydrophobicContact CD2-CD1 3.88Å; L291-I323 HydrophobicContact CG-CD1 3.98Å; L291-I352 HydrophobicContact CD1-CD1 4.12Å; L291-I352 HydrophobicContact CD1-CG1 4.2Å; L291-I352 HydrophobicContact CD1-CG2 4.46Å
292	G	66	Low	75.9	Confident	20 Å²	20	41.3 Å²	41.3	21%	0.206	24%	0.24	C	C	.	.	H	α-helix	trans	-47.8	-49.7	-173.2	0	0	0	0	0	114.8	S289 L294 L295 E296	S289-G292 PolarHBondContact OG-N 3.26Å; G292-L294 VanDerWaalsContact C-N 3.26Å; G292-L294 PolarHBondContact O-N 2.85Å; G292-L295 WeakPolarHBondContact O-CB 3.44Å; G292-L295 PolarHBondContact O-N 3.43Å; G292-L295 VanDerWaalsContact O-N 3.08Å; G292-E296 PolarHBondContact O-N 3.24Å; G292-E296 VanDerWaalsContact O-N 3.1Å
293	G	72.3	Confident	75.5	Confident	69 Å²	69	49.4 Å²	49.4	71%	0.711	27%	0.272	S	S	*	.	H	α-helix	trans	-63.8	-25.6	177.4	0	0	0	0	0	114.7	L291 S297	L291-G293 PolarHBondContact O-N 3.37Å; G293-S297 PolarHBondContact O-N 2.62Å
294	L	76.7	Confident	74.8	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-82.5	-32.6	173	-173.9	65.5	0	0	0	111.5	L291 G292 E296 S297 W309 L312 L313	L291-L294 HydrophobicContact CB-CB 4.37Å; L291-L294 WeakPolarHBondContact O-CA 3.48Å; L291-L294 WeakPolarHBondContact O-CB 3.35Å; L291-L294 PolarHBondContact O-N 2.7Å; G292-L294 VanDerWaalsContact C-N 3.26Å; G292-L294 PolarHBondContact O-N 2.85Å; L294-E296 VanDerWaalsContact C-N 3.3Å; L294-E296 PolarHBondContact O-N 3.38Å; L294-S297 PolarHBondContact O-OG 3.29Å; L294-W309 HydrophobicContact CD2-CZ2 4.23Å; L294-W309 HydrophobicContact CG-CZ2 3.91Å; L294-W309 PolarHBondContact O-NE1 2.95Å; L294-L312 HydrophobicContact CD1-CB 4.12Å; L294-L313 HydrophobicContact CD2-CB 3.99Å; L294-L313 HydrophobicContact CD2-CD1 4.05Å
295	L	76.1	Confident	74.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-36.6	172.6	-79	-177.9	0	0	0	112.6	S289 L291 G292 R348 L349 I352	S289-L295 VanDerWaalsContact CB-CD1 3.48Å; S289-L295 VanDerWaalsContact OG-CD1 3.31Å; S289-L295 WeakPolarHBondContact OG-CD1 3.34Å; L291-L295 PolarHBondContact O-N 3.22Å; G292-L295 WeakPolarHBondContact O-CB 3.44Å; G292-L295 PolarHBondContact O-N 3.43Å; G292-L295 VanDerWaalsContact O-N 3.08Å; L295-R348 HydrophobicContact CD2-CB 3.66Å; L295-R348 VanDerWaalsContact O-CD 3.25Å; L295-R348 WeakPolarHBondContact O-CD 3.26Å; L295-R348 PolarHBondContact O-NH1 3.17Å; L295-L349 HydrophobicContact CD1-CD2 3.93Å; L295-L349 HydrophobicContact CD1-CG 4.46Å; L295-L349 HydrophobicContact CD2-CD2 4.07Å; L295-L349 HydrophobicContact CD2-CG 4.03Å; L295-I352 HydrophobicContact CD2-CD1 3.57Å; L295-I352 HydrophobicContact CG-CD1 4.24Å
296	E	70.9	Confident	73.7	Confident	100 Å²	100	57.8 Å²	57.8	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-96.8	-9.4	-178.8	-67.4	-171.7	160.7	0	0	114.4	H286 G292 L294 D298 R344	H286-E296 IonicContact CD2-OE1 3.96Å; H286-E296 IonicContact CE1-OE1 3.88Å; H286-E296 PolarHBondContact CE1-OE1 3.06Å; H286-E296 VanDerWaalsContact CE1-OE1 3.27Å; H286-E296 IonicContact ND1-OE1 2.89Å; H286-E296 IonicContact NE2-OE1 3.74Å; H286-E296 PolarHBondContact NE2-OE1 3.2Å; G292-E296 PolarHBondContact O-N 3.24Å; G292-E296 VanDerWaalsContact O-N 3.1Å; L294-E296 VanDerWaalsContact C-N 3.3Å; L294-E296 PolarHBondContact O-N 3.38Å; E296-D298 PolarHBondContact O-N 3.46Å; E296-R344 PolarHBondContact O-NH2 2.83Å
297	S	72.7	Confident	73.4	Confident	23 Å²	23	61.5 Å²	61.5	16%	0.161	34%	0.336	C	S	.	.			trans	-43.6	136.1	-179.4	58.1	0	0	0	0	114.6	G293 L294 L299 W309 R344 R348	G293-S297 PolarHBondContact O-N 2.62Å; L294-S297 PolarHBondContact O-OG 3.29Å; S297-L299 PolarHBondContact O-N 3.34Å; S297-W309 PolarHBondContact OG-NE1 2.72Å; S297-R344 PolarHBondContact O-NH1 2.8Å; S297-R348 VanDerWaalsContact O-CZ 3.27Å; S297-R348 PolarHBondContact O-NH1 3Å; S297-R348 PolarHBondContact O-NH2 3.46Å; S297-R348 PolarHBondContact OG-NH1 3.37Å; S297-R348 PolarHBondContact OG-NH2 3.14Å
298	D	68.1	Low	73.4	Confident	124 Å²	124	62.9 Å²	62.9	66%	0.663	34%	0.344	S	S	*	.			trans	-72.1	2.3	-171.1	-58.7	-54.3	0	0	0	115.6	E296 K300	E296-D298 PolarHBondContact O-N 3.46Å; D298-K300 PolarHBondContact O-N 3.19Å
299	L	66.6	Low	73.5	Confident	49 Å²	49	62.6 Å²	62.6	26%	0.257	34%	0.343	S	S	.	.			trans	-57.3	111.6	171	-68	172.3	0	0	0	109.9	S297 N305 W309 L312 R348	S297-L299 PolarHBondContact O-N 3.34Å; L299-N305 HydrophobicContact CB-CB 4.5Å; L299-W309 HydrophobicContact CD1-CB 4.2Å; L299-L312 HydrophobicContact CD1-CD1 3.91Å; L299-R348 PolarHBondContact O-NH2 3.47Å
300	K	65.4	Low	73.4	Confident	133 Å²	133	63.6 Å²	63.6	58%	0.578	35%	0.348	S	S	*	.			trans	-58	155	175.7	-70.2	-178	179.6	177.2	0	110.5	D298 D302 N305	D298-K300 PolarHBondContact O-N 3.19Å; K300-D302 PolarHBondContact O-N 2.75Å; K300-N305 WeakPolarHBondContact O-CB 3.49Å
301	M	63.1	Low	73.8	Confident	69 Å²	69	66.5 Å²	66.5	34%	0.34	36%	0.356	S	S	.	.	S	Bend	trans	-88.5	43.3	177.5	-65.9	-157.8	65	0	0	112.9	I306 R344 T347	M301-I306 HydrophobicContact CB-CD1 4.32Å; M301-I306 HydrophobicContact CB-CG1 4.48Å; M301-I306 HydrophobicContact CE-CD1 4.09Å; M301-I306 HydrophobicContact CE-CG1 4.22Å; M301-R344 HydrophobicContact CG-CG 4.13Å; M301-R344 HydrophobicContact SD-CB 4.28Å; M301-R344 HydrophobicContact SD-CG 3.98Å; M301-T347 HydrophobicContact CE-CG2 3.57Å; M301-T347 HydrophobicContact SD-CG2 4.41Å
302	D	68	Low	74.2	Confident	61 Å²	61	69.7 Å²	69.7	33%	0.326	37%	0.373	S	S	.	.	S	Bend	trans	-78	167.2	163.2	57.8	61.6	0	0	0	110.8	K300 D304 N305 I306	K300-D302 PolarHBondContact O-N 2.75Å; D302-D304 VanDerWaalsContact C-N 3.26Å; D302-D304 PolarHBondContact O-N 3.21Å; D302-D304 PolarHBondContact OD1-N 3.35Å; D302-N305 VanDerWaalsContact CG-ND2 3.29Å; D302-N305 WeakPolarHBondContact OD1-CB 3.31Å; D302-N305 PolarHBondContact OD1-N 2.88Å; D302-N305 PolarHBondContact OD1-ND2 2.92Å; D302-N305 PolarHBondContact OD2-ND2 2.73Å; D302-I306 WeakPolarHBondContact O-CB 3.39Å; D302-I306 WeakPolarHBondContact O-CD1 3.32Å; D302-I306 WeakPolarHBondContact O-CG1 3.35Å; D302-I306 PolarHBondContact O-N 2.83Å
303	K	67.1	Low	75.2	Confident	183 Å²	183	68.8 Å²	68.8	80%	0.796	36%	0.363	S	S	*	.	H	α-helix	trans	-61.1	-36.5	-171.8	-71	-178.7	178.6	175.8	0	112.5
304	D	67.4	Low	75.9	Confident	122 Å²	122	69.1 Å²	69.1	65%	0.652	34%	0.343	S	S	*	.	H	α-helix	trans	-80.2	-45.9	-172.5	-52.6	-42.7	0	0	0	110.4	D302 I306 L307 V308	D302-D304 VanDerWaalsContact C-N 3.26Å; D302-D304 PolarHBondContact O-N 3.21Å; D302-D304 PolarHBondContact OD1-N 3.35Å; D304-I306 VanDerWaalsContact C-N 3.27Å; D304-I306 PolarHBondContact O-N 3.32Å; D304-L307 WeakPolarHBondContact O-CB 3.34Å; D304-L307 PolarHBondContact O-N 3.4Å; D304-L307 VanDerWaalsContact O-N 3.09Å; D304-V308 PolarHBondContact O-N 3.22Å
305	N	76.3	Confident	76.4	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-27.5	174.5	-75.5	-53.1	0	0	0	112.9	L299 K300 D302 L307 V308 W309	L299-N305 HydrophobicContact CB-CB 4.5Å; K300-N305 WeakPolarHBondContact O-CB 3.49Å; D302-N305 VanDerWaalsContact CG-ND2 3.29Å; D302-N305 WeakPolarHBondContact OD1-CB 3.31Å; D302-N305 PolarHBondContact OD1-N 2.88Å; D302-N305 PolarHBondContact OD1-ND2 2.92Å; D302-N305 PolarHBondContact OD2-ND2 2.73Å; N305-L307 VanDerWaalsContact C-N 3.33Å; N305-L307 PolarHBondContact O-N 3.38Å; N305-V308 PolarHBondContact O-N 2.98Å; N305-W309 VanDerWaalsContact O-CB 3.23Å; N305-W309 WeakPolarHBondContact O-CB 3.31Å; N305-W309 PolarHBondContact O-N 3.4Å
306	I	77.2	Confident	76.8	Confident	55 Å²	55	79 Å²	79	28%	0.282	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-39	171.2	-74.9	165.4	0	0	0	111.3	M301 D302 D304 W309 M310	M301-I306 HydrophobicContact CB-CD1 4.32Å; M301-I306 HydrophobicContact CB-CG1 4.48Å; M301-I306 HydrophobicContact CE-CD1 4.09Å; M301-I306 HydrophobicContact CE-CG1 4.22Å; D302-I306 WeakPolarHBondContact O-CB 3.39Å; D302-I306 WeakPolarHBondContact O-CD1 3.32Å; D302-I306 WeakPolarHBondContact O-CG1 3.35Å; D302-I306 PolarHBondContact O-N 2.83Å; D304-I306 VanDerWaalsContact C-N 3.27Å; D304-I306 PolarHBondContact O-N 3.32Å; I306-W309 PolarHBondContact O-N 3.41Å; I306-M310 HydrophobicContact CG2-CG 4.35Å; I306-M310 WeakPolarHBondContact O-CB 3.15Å; I306-M310 WeakPolarHBondContact O-CG 3.32Å; I306-M310 PolarHBondContact O-N 3.4Å
307	L	79.4	Confident	77.5	Confident	122 Å²	122	74.8 Å²	74.8	64%	0.639	37%	0.368	S	S	*	.	H	α-helix	trans	-66.5	-45.2	177.5	-67	173.6	0	0	0	111.3	D304 N305 M310 E311	D304-L307 WeakPolarHBondContact O-CB 3.34Å; D304-L307 PolarHBondContact O-N 3.4Å; D304-L307 VanDerWaalsContact O-N 3.09Å; N305-L307 VanDerWaalsContact C-N 3.33Å; N305-L307 PolarHBondContact O-N 3.38Å; L307-M310 PolarHBondContact O-N 3.46Å; L307-E311 PolarHBondContact O-N 3.04Å
308	V	83.1	Confident	78.1	Confident	77 Å²	77	81.2 Å²	81.2	47%	0.467	39%	0.393	S	S	.	.	H	α-helix	trans	-59.6	-47.5	174.8	179.1	0	0	0	0	110.9	D304 N305 M310 E311 L312	D304-V308 PolarHBondContact O-N 3.22Å; N305-V308 PolarHBondContact O-N 2.98Å; V308-M310 VanDerWaalsContact C-N 3.33Å; V308-M310 PolarHBondContact O-N 3.35Å; V308-E311 PolarHBondContact O-N 3.37Å; V308-L312 HydrophobicContact CG1-CD1 4.32Å; V308-L312 WeakPolarHBondContact O-CG 3.14Å; V308-L312 PolarHBondContact O-N 3.42Å
309	W	86	Confident	79	Confident	6 Å²	6	79.2 Å²	79.2	2%	0.023	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-38.1	178.1	-172.3	94.3	0	0	0	112.2	L294 S297 L299 N305 I306 L313 R348 L351 I352	L294-W309 HydrophobicContact CD2-CZ2 4.23Å; L294-W309 HydrophobicContact CG-CZ2 3.91Å; L294-W309 PolarHBondContact O-NE1 2.95Å; S297-W309 PolarHBondContact OG-NE1 2.72Å; L299-W309 HydrophobicContact CD1-CB 4.2Å; N305-W309 VanDerWaalsContact O-CB 3.23Å; N305-W309 WeakPolarHBondContact O-CB 3.31Å; N305-W309 PolarHBondContact O-N 3.4Å; I306-W309 PolarHBondContact O-N 3.41Å; W309-L313 HydrophobicContact CE3-CB 4.39Å; W309-L313 HydrophobicContact CH2-CD2 3.97Å; W309-L313 HydrophobicContact CZ3-CB 4.21Å; W309-L313 HydrophobicContact CZ3-CD2 3.64Å; W309-L313 HydrophobicContact CZ3-CG 4.43Å; W309-L313 WeakPolarHBondContact O-CB 3.48Å; W309-L313 PolarHBondContact O-N 3.27Å; W309-R348 HydrophobicContact CD2-CG 4.47Å; W309-R348 HydrophobicContact CH2-CB 3.69Å; W309-R348 HydrophobicContact CH2-CG 3.79Å; W309-R348 HydrophobicContact CZ2-CB 3.63Å; W309-R348 HydrophobicContact CZ2-CG 3.48Å; W309-R348 VanDerWaalsContact CZ2-CG 3.48Å; W309-R348 HydrophobicContact CZ3-CG 4.39Å; W309-L351 HydrophobicContact CE3-CD1 4.29Å; W309-L351 HydrophobicContact CH2-CB 4.46Å; W309-L351 HydrophobicContact CZ3-CB 3.94Å; W309-L351 HydrophobicContact CZ3-CD1 3.88Å; W309-I352 HydrophobicContact CH2-CD1 4.37Å; W309-I352 HydrophobicContact CH2-CG1 4.1Å
310	M	84.1	Confident	79.8	Confident	20 Å²	20	81.6 Å²	81.6	10%	0.099	40%	0.395	C	S	.	.	H	α-helix	trans	-67.3	-33.8	175.5	-76.9	-62.7	-62	0	0	112.8	I306 L307 V308 L313 R314 L351 E355	I306-M310 HydrophobicContact CG2-CG 4.35Å; I306-M310 WeakPolarHBondContact O-CB 3.15Å; I306-M310 WeakPolarHBondContact O-CG 3.32Å; I306-M310 PolarHBondContact O-N 3.4Å; L307-M310 PolarHBondContact O-N 3.46Å; V308-M310 VanDerWaalsContact C-N 3.33Å; V308-M310 PolarHBondContact O-N 3.35Å; M310-L313 HydrophobicContact CE-CD2 4.29Å; M310-L313 WeakPolarHBondContact O-CB 3.03Å; M310-L313 PolarHBondContact O-N 3.23Å; M310-L313 HydrophobicContact SD-CD2 3.99Å; M310-R314 WeakPolarHBondContact O-CG 3.4Å; M310-R314 PolarHBondContact O-N 3.29Å; M310-L351 HydrophobicContact SD-CB 4.09Å; M310-L351 HydrophobicContact SD-CD1 4.09Å; M310-L351 HydrophobicContact SD-CD2 4.3Å; M310-L351 HydrophobicContact SD-CG 4.39Å; M310-E355 HydrophobicContact CE-CB 4.43Å; M310-E355 HydrophobicContact CE-CG 4.41Å
311	E	85.4	Confident	80.7	Confident	80 Å²	80	79.2 Å²	79.2	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-76.2	-37.4	176.5	-162.5	51.4	-137.8	0	0	112.2	L307 V308 L313 R314 T315	L307-E311 PolarHBondContact O-N 3.04Å; V308-E311 PolarHBondContact O-N 3.37Å; E311-L313 VanDerWaalsContact C-N 3.31Å; E311-L313 PolarHBondContact O-N 3.5Å; E311-R314 PolarHBondContact O-N 3.25Å; E311-R314 IonicContact OE2-CZ 3.9Å; E311-R314 IonicContact OE2-NH1 3.8Å; E311-R314 PolarHBondContact OE2-NH1 3.11Å; E311-T315 WeakPolarHBondContact O-CB 3.42Å; E311-T315 PolarHBondContact O-N 3.19Å; E311-T315 PolarHBondContact O-OG1 3.23Å
312	L	86.2	Confident	81.7	Confident	79 Å²	79	79.4 Å²	79.4	41%	0.414	40%	0.396	S	S	.	.	H	α-helix	trans	-57.9	-44	166.7	-69.2	173.5	0	0	0	111.2	L294 L299 V308 T315 R316	L294-L312 HydrophobicContact CD1-CB 4.12Å; L299-L312 HydrophobicContact CD1-CD1 3.91Å; V308-L312 HydrophobicContact CG1-CD1 4.32Å; V308-L312 WeakPolarHBondContact O-CG 3.14Å; V308-L312 PolarHBondContact O-N 3.42Å; L312-T315 PolarHBondContact O-N 2.95Å; L312-R316 WeakPolarHBondContact O-CB 3.48Å; L312-R316 VanDerWaalsContact O-CG 3.24Å; L312-R316 WeakPolarHBondContact O-CG 3.44Å; L312-R316 PolarHBondContact O-N 3.01Å
313	L	86.8	Confident	82.6	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.1	-52.3	175.2	174	62.5	0	0	0	111.5	L291 L294 W309 M310 E311 T315 R316 L317 I352 E355	L291-L313 HydrophobicContact CD1-CD1 3.49Å; L291-L313 VanDerWaalsContact CD1-CD1 3.49Å; L294-L313 HydrophobicContact CD2-CB 3.99Å; L294-L313 HydrophobicContact CD2-CD1 4.05Å; W309-L313 HydrophobicContact CE3-CB 4.39Å; W309-L313 HydrophobicContact CH2-CD2 3.97Å; W309-L313 HydrophobicContact CZ3-CB 4.21Å; W309-L313 HydrophobicContact CZ3-CD2 3.64Å; W309-L313 HydrophobicContact CZ3-CG 4.43Å; W309-L313 WeakPolarHBondContact O-CB 3.48Å; W309-L313 PolarHBondContact O-N 3.27Å; M310-L313 HydrophobicContact CE-CD2 4.29Å; M310-L313 WeakPolarHBondContact O-CB 3.03Å; M310-L313 PolarHBondContact O-N 3.23Å; M310-L313 HydrophobicContact SD-CD2 3.99Å; E311-L313 VanDerWaalsContact C-N 3.31Å; E311-L313 PolarHBondContact O-N 3.5Å; L313-T315 VanDerWaalsContact C-N 3.3Å; L313-T315 PolarHBondContact O-N 3.49Å; L313-R316 PolarHBondContact O-N 2.88Å; L313-L317 HydrophobicContact CD1-CD1 3.77Å; L313-L317 HydrophobicContact CD1-CD2 4.34Å; L313-L317 HydrophobicContact CD1-CG 3.79Å; L313-L317 HydrophobicContact CD2-CD1 4.44Å; L313-L317 HydrophobicContact CG-CD1 3.87Å; L313-L317 HydrophobicContact CG-CG 4.26Å; L313-L317 WeakPolarHBondContact O-CB 3.49Å; L313-L317 WeakPolarHBondContact O-CG 3.21Å; L313-L317 PolarHBondContact O-N 3.38Å; L313-I352 HydrophobicContact CD1-CG1 3.71Å; L313-I352 HydrophobicContact CD2-CG1 4.09Å; L313-E355 HydrophobicContact CD2-CB 4.45Å
314	R	87.1	Confident	83.5	Confident	76 Å²	76	69.2 Å²	69.2	29%	0.287	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-42.4	178.8	-75.4	179.2	-165.2	118.5	10.7	112.1	M310 E311 L317 K318 E355	M310-R314 WeakPolarHBondContact O-CG 3.4Å; M310-R314 PolarHBondContact O-N 3.29Å; E311-R314 PolarHBondContact O-N 3.25Å; E311-R314 IonicContact OE2-CZ 3.9Å; E311-R314 IonicContact OE2-NH1 3.8Å; E311-R314 PolarHBondContact OE2-NH1 3.11Å; R314-L317 PolarHBondContact O-N 3.29Å; R314-K318 WeakPolarHBondContact O-CB 3.34Å; R314-K318 VanDerWaalsContact O-CG 3.26Å; R314-K318 WeakPolarHBondContact O-CG 3.41Å; R314-K318 PolarHBondContact O-N 2.95Å; R314-E355 HydrophobicContact CG-CG 4.43Å; R314-E355 WeakPolarHBondContact CG-OE1 2.98Å; R314-E355 IonicContact CZ-OE1 3.65Å; R314-E355 IonicContact NE-OE1 2.78Å; R314-E355 PolarHBondContact NE-OE1 3.02Å; R314-E355 IonicContact NH2-OE1 3.61Å
315	T	87.2	Confident	84.4	Confident	78 Å²	78	67.6 Å²	67.6	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-45.6	177.9	-61	0	0	0	0	111	E311 L312 L313 K318 S319	E311-T315 WeakPolarHBondContact O-CB 3.42Å; E311-T315 PolarHBondContact O-N 3.19Å; E311-T315 PolarHBondContact O-OG1 3.23Å; L312-T315 PolarHBondContact O-N 2.95Å; L313-T315 VanDerWaalsContact C-N 3.3Å; L313-T315 PolarHBondContact O-N 3.49Å; T315-K318 PolarHBondContact O-N 2.84Å; T315-S319 PolarHBondContact O-N 2.71Å; T315-S319 VanDerWaalsContact O-N 3.13Å
316	R	83.9	Confident	84.9	Confident	151 Å²	151	66.5 Å²	66.5	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-64.5	-42.7	175.1	-67.5	-69.2	-174.1	168.6	2.4	112.3	L291 L312 L313 S319 R320	L291-R316 HydrophobicContact CD2-CB 3.91Å; L312-R316 WeakPolarHBondContact O-CB 3.48Å; L312-R316 VanDerWaalsContact O-CG 3.24Å; L312-R316 WeakPolarHBondContact O-CG 3.44Å; L312-R316 PolarHBondContact O-N 3.01Å; L313-R316 PolarHBondContact O-N 2.88Å; R316-S319 PolarHBondContact O-N 3.21Å; R316-S319 PolarHBondContact O-OG 2.97Å; R316-R320 WeakPolarHBondContact O-CB 3.26Å; R316-R320 PolarHBondContact O-N 2.74Å; R316-R320 VanDerWaalsContact O-N 3.12Å
317	L	86.1	Confident	85.5	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-38.3	177.9	-70.1	179.2	0	0	0	112.7	L291 L313 R314 S319 R320 I323 V324 E355 C356	L291-L317 HydrophobicContact CD1-CD2 4Å; L313-L317 HydrophobicContact CD1-CD1 3.77Å; L313-L317 HydrophobicContact CD1-CD2 4.34Å; L313-L317 HydrophobicContact CD1-CG 3.79Å; L313-L317 HydrophobicContact CD2-CD1 4.44Å; L313-L317 HydrophobicContact CG-CD1 3.87Å; L313-L317 HydrophobicContact CG-CG 4.26Å; L313-L317 WeakPolarHBondContact O-CB 3.49Å; L313-L317 WeakPolarHBondContact O-CG 3.21Å; L313-L317 PolarHBondContact O-N 3.38Å; R314-L317 PolarHBondContact O-N 3.29Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.41Å; L317-R320 CarbonylContact O-C 3.55Å; L317-R320 VanDerWaalsContact O-C 3.3Å; L317-R320 PolarHBondContact O-N 2.89Å; L317-R320 VanDerWaalsContact O-N 3.14Å; L317-I323 HydrophobicContact CD2-CB 4.4Å; L317-I323 HydrophobicContact CD2-CG2 3.7Å; L317-V324 HydrophobicContact CB-CG2 3.94Å; L317-V324 HydrophobicContact CD2-CG2 4Å; L317-V324 HydrophobicContact CG-CG2 4.43Å; L317-E355 HydrophobicContact CD1-CB 4.45Å; L317-E355 HydrophobicContact CD1-CG 4.31Å; L317-C356 VanDerWaalsContact CD2-SG 3.6Å
318	K	86.1	Confident	86	Confident	158 Å²	158	60.9 Å²	60.9	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-58.4	-42.9	170.8	-74.6	168.8	-178.3	170.8	0	111.3	R314 T315 R320	R314-K318 WeakPolarHBondContact O-CB 3.34Å; R314-K318 VanDerWaalsContact O-CG 3.26Å; R314-K318 WeakPolarHBondContact O-CG 3.41Å; R314-K318 PolarHBondContact O-N 2.95Å; T315-K318 PolarHBondContact O-N 2.84Å; K318-R320 PolarHBondContact O-N 2.79Å
319	S	85.8	Confident	86.2	Confident	82 Å²	82	61.7 Å²	61.7	57%	0.573	30%	0.304	S	S	*	.	H	α-helix	trans	-71.4	-14.3	176.9	72	0	0	0	0	114.7	T315 R316 L317	T315-S319 PolarHBondContact O-N 2.71Å; T315-S319 VanDerWaalsContact O-N 3.13Å; R316-S319 PolarHBondContact O-N 3.21Å; R316-S319 PolarHBondContact O-OG 2.97Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.41Å
320	R	84	Confident	86.5	Confident	99 Å²	99	61.9 Å²	61.9	37%	0.374	31%	0.305	S	S	.	.			trans	-135.2	70.4	-171.5	-71.8	-157.4	66.1	165.9	1.1	112.4	R316 L317 K318 D322 I323 V324	R316-R320 WeakPolarHBondContact O-CB 3.26Å; R316-R320 PolarHBondContact O-N 2.74Å; R316-R320 VanDerWaalsContact O-N 3.12Å; L317-R320 CarbonylContact O-C 3.55Å; L317-R320 VanDerWaalsContact O-C 3.3Å; L317-R320 PolarHBondContact O-N 2.89Å; L317-R320 VanDerWaalsContact O-N 3.14Å; K318-R320 PolarHBondContact O-N 2.79Å; R320-D322 VanDerWaalsContact CA-OD1 3.23Å; R320-D322 WeakPolarHBondContact CA-OD1 3.48Å; R320-D322 VanDerWaalsContact CB-OD1 3.23Å; R320-D322 WeakPolarHBondContact CB-OD1 3.38Å; R320-D322 IonicContact CZ-OD2 3.45Å; R320-D322 IonicContact NE-OD1 2.74Å; R320-D322 PolarHBondContact NE-OD1 3.32Å; R320-D322 IonicContact NE-OD2 3.41Å; R320-D322 PolarHBondContact NE-OD2 3.15Å; R320-D322 IonicContact NH2-OD1 3.65Å; R320-D322 IonicContact NH2-OD2 3Å; R320-D322 PolarHBondContact NH2-OD2 3.1Å; R320-D322 PolarHBondContact O-N 2.83Å; R320-I323 HydrophobicContact CB-CB 4.35Å; R320-I323 HydrophobicContact CB-CD1 3.88Å; R320-I323 HydrophobicContact CB-CG1 4.01Å; R320-I323 HydrophobicContact CG-CD1 4.4Å; R320-I323 WeakPolarHBondContact O-CB 3.43Å; R320-I323 PolarHBondContact O-N 2.92Å; R320-I323 VanDerWaalsContact O-N 3.12Å; R320-V324 PolarHBondContact O-N 2.65Å
321	P	84.9	Confident	86.8	Confident	84 Å²	84	67.3 Å²	67.3	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-19	177.9	28	-35.7	0	0	0	113.1	I323 V324 T325	P321-I323 VanDerWaalsContact C-N 3.35Å; P321-V324 PolarHBondContact O-N 3.09Å; P321-T325 WeakPolarHBondContact O-CB 3.42Å; P321-T325 PolarHBondContact O-N 3.41Å; P321-T325 PolarHBondContact O-OG1 3.29Å
322	D	84.5	Confident	87.1	Confident	73 Å²	73	65.4 Å²	65.4	39%	0.39	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-45	170.3	65.1	-55.6	0	0	0	111.8	R320 R326	R320-D322 VanDerWaalsContact CA-OD1 3.23Å; R320-D322 WeakPolarHBondContact CA-OD1 3.48Å; R320-D322 VanDerWaalsContact CB-OD1 3.23Å; R320-D322 WeakPolarHBondContact CB-OD1 3.38Å; R320-D322 IonicContact CZ-OD2 3.45Å; R320-D322 IonicContact NE-OD1 2.74Å; R320-D322 PolarHBondContact NE-OD1 3.32Å; R320-D322 IonicContact NE-OD2 3.41Å; R320-D322 PolarHBondContact NE-OD2 3.15Å; R320-D322 IonicContact NH2-OD1 3.65Å; R320-D322 IonicContact NH2-OD2 3Å; R320-D322 PolarHBondContact NH2-OD2 3.1Å; R320-D322 PolarHBondContact O-N 2.83Å; D322-R326 WeakPolarHBondContact O-CB 3.39Å; D322-R326 PolarHBondContact O-N 3.11Å
323	I	85.2	Confident	87.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-49.9	176.7	-64.5	-175.6	0	0	0	109.7	G290 L291 L317 R320 P321 T325 R326 W327	G290-I323 WeakPolarHBondContact O-CD1 3.33Å; L291-I323 HydrophobicContact CD2-CD1 3.88Å; L291-I323 HydrophobicContact CG-CD1 3.98Å; L317-I323 HydrophobicContact CD2-CB 4.4Å; L317-I323 HydrophobicContact CD2-CG2 3.7Å; R320-I323 HydrophobicContact CB-CB 4.35Å; R320-I323 HydrophobicContact CB-CD1 3.88Å; R320-I323 HydrophobicContact CB-CG1 4.01Å; R320-I323 HydrophobicContact CG-CD1 4.4Å; R320-I323 WeakPolarHBondContact O-CB 3.43Å; R320-I323 PolarHBondContact O-N 2.92Å; R320-I323 VanDerWaalsContact O-N 3.12Å; P321-I323 VanDerWaalsContact C-N 3.35Å; I323-T325 PolarHBondContact O-N 3.14Å; I323-R326 PolarHBondContact O-N 3.41Å; I323-W327 VanDerWaalsContact O-CD1 3.23Å; I323-W327 PolarHBondContact O-N 2.92Å
324	V	87.1	Confident	87.9	Confident	30 Å²	30	61.9 Å²	61.9	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-50.6	-177.3	178.4	0	0	0	0	111.2	L317 R320 P321 R326 W327 Q328	L317-V324 HydrophobicContact CB-CG2 3.94Å; L317-V324 HydrophobicContact CD2-CG2 4Å; L317-V324 HydrophobicContact CG-CG2 4.43Å; R320-V324 PolarHBondContact O-N 2.65Å; P321-V324 PolarHBondContact O-N 3.09Å; V324-R326 VanDerWaalsContact C-N 3.28Å; V324-R326 PolarHBondContact O-N 3.06Å; V324-W327 PolarHBondContact O-N 2.72Å; V324-Q328 HydrophobicContact CG1-CG 4.42Å; V324-Q328 VanDerWaalsContact CG1-NE2 3.32Å; V324-Q328 VanDerWaalsContact O-CG 3.31Å; V324-Q328 WeakPolarHBondContact O-CG 3.45Å; V324-Q328 PolarHBondContact O-N 3.49Å
325	T	86.8	Confident	88.3	Confident	88 Å²	88	58.3 Å²	58.3	54%	0.54	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-41.4	-179.8	-54.9	0	0	0	0	111.8	P321 I323 Q328 K329	P321-T325 WeakPolarHBondContact O-CB 3.42Å; P321-T325 PolarHBondContact O-N 3.41Å; P321-T325 PolarHBondContact O-OG1 3.29Å; I323-T325 PolarHBondContact O-N 3.14Å; T325-Q328 PolarHBondContact O-N 2.95Å; T325-K329 WeakPolarHBondContact O-CB 3.4Å; T325-K329 PolarHBondContact O-N 2.94Å
326	R	86.6	Confident	88.6	Confident	28 Å²	28	54.7 Å²	54.7	11%	0.106	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-45.8	177.6	172.7	176.1	55.2	83.3	-8.4	112.9	F288 S289 D322 I323 V324 Q328 K329 L330 V584	F288-R326 VanDerWaalsContact O-CZ 3.25Å; F288-R326 PolarHBondContact O-NH1 3.14Å; F288-R326 PolarHBondContact O-NH2 2.74Å; S289-R326 PolarHBondContact O-NH2 2.72Å; D322-R326 WeakPolarHBondContact O-CB 3.39Å; D322-R326 PolarHBondContact O-N 3.11Å; I323-R326 PolarHBondContact O-N 3.41Å; V324-R326 VanDerWaalsContact C-N 3.28Å; V324-R326 PolarHBondContact O-N 3.06Å; R326-Q328 VanDerWaalsContact C-N 3.29Å; R326-Q328 PolarHBondContact O-N 3.36Å; R326-K329 PolarHBondContact O-N 3.28Å; R326-L330 PolarHBondContact O-N 3.28Å; R326-V584 VanDerWaalsContact CD-CG1 3.43Å
327	W	89.9	Confident	89	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-29	175.9	-80.5	104.5	0	0	0	112.8	F288 S289 I323 V324 L330 L349 I352 A353 C356 R357 I372	F288-W327 HydrophobicContact CD1-CH2 4.39Å; F288-W327 HydrophobicContact CD1-CZ2 4.3Å; F288-W327 AromaticContact CE1-CH2 3.62Å; F288-W327 HydrophobicContact CE1-CH2 3.62Å; F288-W327 AromaticContact CE1-CZ2 3.72Å; F288-W327 HydrophobicContact CE1-CZ2 3.72Å; F288-W327 HydrophobicContact CE1-CZ3 4.07Å; F288-W327 HydrophobicContact CZ-CH2 4.46Å; F288-W327 HydrophobicContact CZ-CZ2 4.45Å; S289-W327 PolarHBondContact O-NE1 3.28Å; I323-W327 VanDerWaalsContact O-CD1 3.23Å; I323-W327 PolarHBondContact O-N 2.92Å; V324-W327 PolarHBondContact O-N 2.72Å; W327-L330 HydrophobicContact CE3-CD2 4.17Å; W327-L330 HydrophobicContact CZ3-CD2 4.28Å; W327-L349 HydrophobicContact CH2-CD2 4.31Å; W327-L349 HydrophobicContact CZ2-CD2 4.46Å; W327-I352 HydrophobicContact CD2-CG2 4.23Å; W327-I352 HydrophobicContact CZ2-CG2 3.79Å; W327-A353 HydrophobicContact CE3-CB 3.88Å; W327-A353 HydrophobicContact CH2-CB 4.44Å; W327-A353 HydrophobicContact CZ3-CB 3.66Å; W327-C356 HydrophobicContact CB-CB 3.51Å; W327-C356 HydrophobicContact CG-CB 4.19Å; W327-R357 PolarHBondContact O-NH1 2.65Å; W327-I372 HydrophobicContact CE3-CD1 3.86Å; W327-I372 HydrophobicContact CZ3-CD1 4.11Å
328	Q	89.3	Confident	89.4	Confident	59 Å²	59	47.7 Å²	47.7	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-69.9	-40.7	171	-71.7	172.6	-3.9	0	0	112.2	V324 T325 R326 L330 C356 R357 S359 M360	V324-Q328 HydrophobicContact CG1-CG 4.42Å; V324-Q328 VanDerWaalsContact CG1-NE2 3.32Å; V324-Q328 VanDerWaalsContact O-CG 3.31Å; V324-Q328 WeakPolarHBondContact O-CG 3.45Å; V324-Q328 PolarHBondContact O-N 3.49Å; T325-Q328 PolarHBondContact O-N 2.95Å; R326-Q328 VanDerWaalsContact C-N 3.29Å; R326-Q328 PolarHBondContact O-N 3.36Å; Q328-L330 VanDerWaalsContact C-N 3.34Å; Q328-L330 PolarHBondContact O-N 2.9Å; Q328-C356 WeakPolarHBondContact CG-O 3.36Å; Q328-C356 PolarHBondContact NE2-O 2.91Å; Q328-R357 PolarHBondContact O-NH1 2.96Å; Q328-S359 PolarHBondContact NE2-OG 2.93Å; Q328-S359 VanDerWaalsContact NE2-OG 3.16Å; Q328-M360 HydrophobicContact CB-CE 3.89Å; Q328-M360 HydrophobicContact CB-SD 4.15Å; Q328-M360 HydrophobicContact CG-CE 3.99Å; Q328-M360 HydrophobicContact CG-SD 4.36Å
329	K	88.3	Confident	89.7	Confident	93 Å²	93	40.1 Å²	40.1	40%	0.404	20%	0.201	S	C	.	.	H	α-helix	trans	-66.4	-33.5	176.6	-169.7	176.4	-173.4	179.7	0	113.1	E265 Y266 T325 R326	E265-K329 WeakPolarHBondContact OE1-CE 3.49Å; E265-K329 IonicContact OE1-NZ 2.71Å; E265-K329 PolarHBondContact OE1-NZ 2.7Å; Y266-K329 HydrophobicContact CD1-CG 3.94Å; Y266-K329 WeakPolarHBondContact CD1-O 3.36Å; Y266-K329 HydrophobicContact CE1-CG 4Å; T325-K329 WeakPolarHBondContact O-CB 3.4Å; T325-K329 PolarHBondContact O-N 2.94Å; R326-K329 PolarHBondContact O-N 3.28Å
330	L	90.6	Very high	89.9	Confident	11 Å²	11	38 Å²	38	6%	0.058	18%	0.182	C	C	.	.			trans	-57.7	137.7	-174.4	-163.4	67.9	0	0	0	112.8	A268 F288 R326 W327 Q328 Y332 L333 R357 I372	A268-L330 HydrophobicContact CB-CD1 3.51Å; A268-L330 HydrophobicContact CB-CD2 4.32Å; F288-L330 HydrophobicContact CE1-CD2 4.4Å; F288-L330 HydrophobicContact CZ-CD2 3.8Å; R326-L330 PolarHBondContact O-N 3.28Å; W327-L330 HydrophobicContact CE3-CD2 4.17Å; W327-L330 HydrophobicContact CZ3-CD2 4.28Å; Q328-L330 VanDerWaalsContact C-N 3.34Å; Q328-L330 PolarHBondContact O-N 2.9Å; L330-Y332 WeakPolarHBondContact CD1-O 3.45Å; L330-L333 HydrophobicContact CD2-CB 4.17Å; L330-R357 PolarHBondContact O-NH1 3.13Å; L330-I372 HydrophobicContact CB-CD1 4.28Å; L330-I372 HydrophobicContact CB-CG1 4.44Å; L330-I372 HydrophobicContact CD2-CD1 3.84Å; L330-I372 HydrophobicContact CD2-CG1 4.39Å; L330-I372 HydrophobicContact CD2-CG2 4.12Å; L330-I372 HydrophobicContact CG-CD1 4.4Å; L330-I372 HydrophobicContact CG-CG2 4.35Å
331	R	90.7	Very high	90.2	Very high	134 Å²	134	33.5 Å²	33.5	51%	0.506	17%	0.166	S	C	.	.			trans	-120.8	-34.3	172.6	-65.4	-178.1	60.8	177.1	-0.9	112.8	Y266 Q373	Y266-R331 HydrophobicContact CD1-CG 4.39Å; Y266-R331 HydrophobicContact CG-CG 4.39Å; Y266-R331 PolarHBondContact O-N 3.25Å; R331-Q373 PolarHBondContact O-N 3.4Å
332	Y	93.1	Very high	90.5	Very high	39 Å²	39	30 Å²	30	15%	0.153	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.8	-177.7	-49	-88.5	0	0	0	109.7	L262 P263 Y266 T267 A268 L330 Q373	L262-Y332 HydrophobicContact CD1-CD1 4.22Å; L262-Y332 HydrophobicContact CD1-CG 4.14Å; L262-Y332 HydrophobicContact CD2-CD1 3.73Å; L262-Y332 HydrophobicContact CD2-CD2 4.36Å; L262-Y332 HydrophobicContact CD2-CE1 3.68Å; L262-Y332 HydrophobicContact CD2-CE2 4.35Å; L262-Y332 HydrophobicContact CD2-CG 4.09Å; P263-Y332 HydrophobicContact CG-CD2 4.44Å; P263-Y332 HydrophobicContact CG-CE2 3.86Å; Y266-Y332 PolarHBondContact O-N 2.76Å; T267-Y332 WeakPolarHBondContact CA-O 3.32Å; T267-Y332 WeakPolarHBondContact OG1-CD2 3.39Å; A268-Y332 PolarHBondContact N-O 3.43Å; L330-Y332 WeakPolarHBondContact CD1-O 3.45Å; Y332-Q373 CarbonylContact C-O 3.59Å; Y332-Q373 WeakPolarHBondContact CA-O 3.36Å; Y332-Q373 HydrophobicContact CD1-CB 4.14Å; Y332-Q373 VanDerWaalsContact CD1-OE1 3.29Å
333	L	94.9	Very high	90.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.3	172.7	175.9	60.7	0	0	0	109.3	A268 T270 F288 L330 I335 F369 I372 Q373 L374 A375	A268-L333 HydrophobicContact CB-CD1 3.84Å; T270-L333 HydrophobicContact CG2-CD1 3.91Å; F288-L333 HydrophobicContact CD1-CD1 4.29Å; F288-L333 HydrophobicContact CE1-CD1 3.89Å; F288-L333 HydrophobicContact CZ-CD1 4.38Å; L330-L333 HydrophobicContact CD2-CB 4.17Å; L333-I335 HydrophobicContact CD1-CG1 4.46Å; L333-I335 HydrophobicContact CD2-CD1 4.24Å; L333-I335 HydrophobicContact CD2-CG1 4.47Å; L333-I335 HydrophobicContact CG-CD1 4.37Å; L333-I335 HydrophobicContact CG-CG1 4.07Å; L333-F369 HydrophobicContact CD2-CD1 4.42Å; L333-F369 HydrophobicContact CD2-CE1 4.39Å; L333-I372 HydrophobicContact CB-CG2 3.81Å; L333-Q373 PolarHBondContact N-O 3.49Å; L333-L374 HydrophobicContact CB-CD2 3.92Å; L333-L374 HydrophobicContact CD2-CD2 4Å; L333-L374 HydrophobicContact CG-CD2 4.3Å; L333-L374 WeakPolarHBondContact O-CA 3.14Å; L333-A375 PolarHBondContact O-N 3.11Å
334	V	94.2	Very high	91	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.5	175.2	-173.4	0	0	0	0	108.9	I255 V259 T267 A268 T270 A375 F377	I255-V334 HydrophobicContact CG2-CG1 4.08Å; V259-V334 HydrophobicContact CG2-CG2 4.3Å; T267-V334 HydrophobicContact CG2-CG2 4.33Å; A268-V334 PolarHBondContact O-N 3.07Å; T270-V334 WeakPolarHBondContact CA-O 3.34Å; T270-V334 PolarHBondContact N-O 3.04Å; T270-V334 PolarHBondContact OG1-O 2.96Å; V334-A375 VanDerWaalsContact CA-O 3.27Å; V334-A375 WeakPolarHBondContact CA-O 3.48Å; V334-A375 HydrophobicContact CG2-CB 4.38Å; V334-F377 HydrophobicContact CG1-CD2 4.16Å; V334-F377 HydrophobicContact CG1-CE2 4.03Å
335	I	95.2	Very high	91.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.5	178	-48.7	-178.9	0	0	0	109	T270 V285 L333 I338 L341 A375 I376 F377	T270-I335 CarbonylContact O-C 3.3Å; T270-I335 VanDerWaalsContact O-CA 3.31Å; T270-I335 WeakPolarHBondContact O-CA 3.48Å; V285-I335 HydrophobicContact CG2-CG2 4.14Å; L333-I335 HydrophobicContact CD1-CG1 4.46Å; L333-I335 HydrophobicContact CD2-CD1 4.24Å; L333-I335 HydrophobicContact CD2-CG1 4.47Å; L333-I335 HydrophobicContact CG-CD1 4.37Å; L333-I335 HydrophobicContact CG-CG1 4.07Å; I335-I338 HydrophobicContact CG2-CD1 4.15Å; I335-L341 HydrophobicContact CG2-CD1 3.93Å; I335-A375 PolarHBondContact N-O 3.35Å; I335-I376 HydrophobicContact CB-CG1 4.37Å; I335-I376 HydrophobicContact CD1-CD1 4.2Å; I335-I376 HydrophobicContact CD1-CG1 4.36Å; I335-I376 HydrophobicContact CG1-CG1 4.46Å; I335-I376 CarbonylContact O-C 3.55Å; I335-I376 WeakPolarHBondContact O-CA 3.38Å; I335-F377 PolarHBondContact O-N 2.85Å
336	D	93.1	Very high	91.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.011	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	156.2	170	-156.9	6.6	0	0	0	112.2	S252 I255 T270 A271 S272 I280 I338 F377	S252-D336 PolarHBondContact OG-OD2 3.48Å; I255-D336 HydrophobicContact CD1-CB 3.63Å; I255-D336 WeakPolarHBondContact CD1-OD1 3.22Å; I255-D336 VanDerWaalsContact CD1-OD2 3.3Å; I255-D336 WeakPolarHBondContact CD1-OD2 3.47Å; T270-D336 PolarHBondContact O-N 3.26Å; A271-D336 WeakPolarHBondContact CA-O 3.32Å; A271-D336 HydrophobicContact CB-CB 4.03Å; S272-D336 PolarHBondContact N-O 3.21Å; I280-D336 HydrophobicContact CD1-CB 3.73Å; D336-I338 PolarHBondContact O-N 2.89Å; D336-F377 CarbonylContact C-O 3.55Å
337	E	92.2	Very high	91.6	Very high	15 Å²	15	23 Å²	23	7%	0.07	10%	0.104	C	C	.	.			trans	50.2	49	-178.5	-60	-71.3	-156.2	0	0	113.4	S272 A276 S339 M340 F377 Q609	S272-E337 WeakPolarHBondContact CB-O 3.48Å; S272-E337 VanDerWaalsContact OG-CB 3.31Å; S272-E337 WeakPolarHBondContact OG-CB 3.3Å; S272-E337 PolarHBondContact OG-O 2.84Å; A276-E337 HydrophobicContact CB-CG 4.03Å; E337-S339 PolarHBondContact O-N 3.16Å; E337-S339 VanDerWaalsContact O-N 3.09Å; E337-M340 PolarHBondContact O-N 3.35Å; E337-F377 PolarHBondContact N-O 3.25Å; E337-F377 VanDerWaalsContact N-O 3.08Å; E337-Q609 PolarHBondContact OE1-NE2 3.03Å; E337-Q609 VanDerWaalsContact OE1-NE2 3.09Å; E337-Q609 PolarHBondContact OE2-NE2 3.26Å
338	I	94.4	Very high	91.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-56.2	-23.2	178.9	-170	64.4	0	0	0	114	F242 I335 D336 M340 L341 F346 I376 F377 F380 A397 W403	F242-I338 HydrophobicContact CE2-CG2 3.94Å; I335-I338 HydrophobicContact CG2-CD1 4.15Å; D336-I338 PolarHBondContact O-N 2.89Å; I338-M340 PolarHBondContact O-N 3.22Å; I338-M340 VanDerWaalsContact O-N 3.14Å; I338-L341 HydrophobicContact CD1-CB 4.17Å; I338-L341 HydrophobicContact CD1-CD1 3.86Å; I338-L341 HydrophobicContact CD1-CG 4.31Å; I338-L341 PolarHBondContact O-N 2.93Å; I338-F346 HydrophobicContact CD1-CD2 4.11Å; I338-F346 HydrophobicContact CD1-CE2 4.34Å; I338-I376 HydrophobicContact CB-CG2 3.53Å; I338-I376 HydrophobicContact CD1-CG2 3.89Å; I338-I376 HydrophobicContact CG1-CG2 3.53Å; I338-I376 HydrophobicContact CG2-CG2 3.79Å; I338-F377 WeakPolarHBondContact CG2-O 3.38Å; I338-F377 PolarHBondContact N-O 3.44Å; I338-F380 HydrophobicContact CG1-CE1 4.47Å; I338-F380 HydrophobicContact CG1-CZ 4.01Å; I338-F380 HydrophobicContact CG2-CE1 4.25Å; I338-F380 HydrophobicContact CG2-CE2 4.1Å; I338-F380 HydrophobicContact CG2-CZ 3.75Å; I338-A397 HydrophobicContact CD1-CB 4.13Å; I338-A397 HydrophobicContact CG1-CB 4.12Å; I338-W403 HydrophobicContact CG1-CZ3 4.05Å
339	S	92.8	Very high	91.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.5	-178.4	68.7	0	0	0	0	113.1	E337 D379 L383 P384 P385	E337-S339 PolarHBondContact O-N 3.16Å; E337-S339 VanDerWaalsContact O-N 3.09Å; S339-D379 WeakPolarHBondContact CB-O 3.28Å; S339-L383 CarbonylContact C-O 3.4Å; S339-L383 WeakPolarHBondContact CB-O 3.48Å; S339-L383 PolarHBondContact OG-O 2.99Å; S339-P384 CarbonylContact O-C 3.51Å; S339-P385 WeakPolarHBondContact O-CD 3.35Å
340	M	90	Very high	91.9	Very high	37 Å²	37	16.5 Å²	16.5	18%	0.182	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-91.2	0.1	179.6	-59.5	-180	71	0	0	113.7	T273 E337 I338 L383 P385 Q609	T273-M340 HydrophobicContact CG2-CE 3.65Å; T273-M340 HydrophobicContact CG2-SD 3.69Å; E337-M340 PolarHBondContact O-N 3.35Å; I338-M340 PolarHBondContact O-N 3.22Å; I338-M340 VanDerWaalsContact O-N 3.14Å; M340-L383 HydrophobicContact CG-CB 4.39Å; M340-P385 WeakPolarHBondContact O-CB 3.27Å; M340-Q609 PolarHBondContact SD-OE1 2.99Å; M340-Q609 VanDerWaalsContact SD-OE1 3.38Å
341	L	91.6	Very high	91.9	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	8%	0.08	C	C	.	.	S	Bend	trans	-92.6	130.6	171.6	-62.3	-170.1	0	0	0	110.9	V285 I335 I338 V345 A397	V285-L341 HydrophobicContact CB-CD1 4.46Å; V285-L341 HydrophobicContact CG1-CD1 4.28Å; V285-L341 HydrophobicContact CG2-CD1 4.02Å; I335-L341 HydrophobicContact CG2-CD1 3.93Å; I338-L341 HydrophobicContact CD1-CB 4.17Å; I338-L341 HydrophobicContact CD1-CD1 3.86Å; I338-L341 HydrophobicContact CD1-CG 4.31Å; I338-L341 PolarHBondContact O-N 2.93Å; L341-V345 HydrophobicContact CD2-CG1 4.46Å; L341-A397 PolarHBondContact O-N 3.3Å
342	S	91.2	Very high	91.9	Very high	12 Å²	12	11.3 Å²	11.3	8%	0.084	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-76.4	156.7	177.1	67.8	0	0	0	0	112.5	R344 V345 F346 K395	S342-R344 PolarHBondContact O-N 3.04Å; S342-V345 PolarHBondContact O-N 3.09Å; S342-V345 WeakPolarHBondContact OG-CG2 3.34Å; S342-V345 PolarHBondContact OG-N 3.03Å; S342-F346 PolarHBondContact O-N 2.88Å; S342-K395 CarbonylContact C-O 3.51Å; S342-K395 WeakPolarHBondContact CA-O 3.31Å
343	S	90.7	Very high	91.8	Very high	17 Å²	17	9.4 Å²	9.4	12%	0.119	5%	0.049	C	C	.	.	H	α-helix	trans	-51.8	-39.5	170.8	-176.4	0	0	0	0	112.1	F346 T347 N394 K395 F396 S400	S343-F346 PolarHBondContact O-N 2.78Å; S343-T347 WeakPolarHBondContact O-CB 3.42Å; S343-T347 PolarHBondContact O-N 2.71Å; S343-T347 PolarHBondContact O-OG1 3.42Å; S343-N394 WeakPolarHBondContact CB-O 3.32Å; S343-K395 PolarHBondContact N-O 2.77Å; S343-F396 WeakPolarHBondContact CB-O 3.4Å; S343-S400 WeakPolarHBondContact OG-CA 3.27Å; S343-S400 VanDerWaalsContact OG-CB 3.32Å; S343-S400 WeakPolarHBondContact OG-CB 3.24Å; S343-S400 PolarHBondContact OG-N 3.25Å
344	R	88.3	Confident	91.5	Very high	33 Å²	33	10.7 Å²	10.7	13%	0.125	6%	0.057	C	C	.	.	H	α-helix	trans	-59.1	-54	176.1	-173.6	173.3	76.3	152.7	11	111.8	E296 S297 M301 S342 T347 R348 E391	E296-R344 PolarHBondContact O-NH2 2.83Å; S297-R344 PolarHBondContact O-NH1 2.8Å; M301-R344 HydrophobicContact CG-CG 4.13Å; M301-R344 HydrophobicContact SD-CB 4.28Å; M301-R344 HydrophobicContact SD-CG 3.98Å; S342-R344 PolarHBondContact O-N 3.04Å; R344-T347 PolarHBondContact O-N 3.31Å; R344-R348 WeakPolarHBondContact O-CB 3.47Å; R344-R348 VanDerWaalsContact O-CG 3.28Å; R344-R348 WeakPolarHBondContact O-CG 3.31Å; R344-R348 PolarHBondContact O-N 3.42Å; R344-E391 VanDerWaalsContact CD-OE1 3.25Å; R344-E391 WeakPolarHBondContact CD-OE1 3.41Å; R344-E391 IonicContact CZ-OE1 2.84Å; R344-E391 VanDerWaalsContact CZ-OE1 3.22Å; R344-E391 IonicContact CZ-OE2 3.98Å; R344-E391 IonicContact NE-OE1 3.66Å; R344-E391 PolarHBondContact NE-OE1 3.43Å; R344-E391 IonicContact NE-OE2 2.76Å; R344-E391 PolarHBondContact NE-OE2 3.14Å; R344-E391 IonicContact NH1-OE1 3.21Å; R344-E391 PolarHBondContact NH1-OE1 3.35Å; R344-E391 IonicContact NH1-OE2 2.99Å; R344-E391 IonicContact NH2-OE2 3.25Å
345	V	90.1	Very high	91.2	Very high	8 Å²	8	12.4 Å²	12.4	5%	0.048	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-43.3	179	172.3	0	0	0	0	111.1	V285 L341 S342 T347 R348 L349	V285-V345 HydrophobicContact CG1-CG1 4.46Å; L341-V345 HydrophobicContact CD2-CG1 4.46Å; S342-V345 PolarHBondContact O-N 3.09Å; S342-V345 WeakPolarHBondContact OG-CG2 3.34Å; S342-V345 PolarHBondContact OG-N 3.03Å; V345-T347 PolarHBondContact O-N 2.84Å; V345-R348 PolarHBondContact O-N 3.01Å; V345-L349 HydrophobicContact CG1-CD1 3.99Å; V345-L349 WeakPolarHBondContact O-CD1 3.31Å; V345-L349 VanDerWaalsContact O-CG 3.28Å; V345-L349 WeakPolarHBondContact O-CG 3.41Å; V345-L349 PolarHBondContact O-N 3.49Å
346	F	92.7	Very high	90.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.4	-43	179.1	-169.5	-94.8	0	0	0	112.8	I338 S342 S343 L349 E350 F369 I376 A397 S400 W403 F408	I338-F346 HydrophobicContact CD1-CD2 4.11Å; I338-F346 HydrophobicContact CD1-CE2 4.34Å; S342-F346 PolarHBondContact O-N 2.88Å; S343-F346 PolarHBondContact O-N 2.78Å; F346-L349 PolarHBondContact O-N 3.29Å; F346-E350 PolarHBondContact O-N 2.99Å; F346-F369 HydrophobicContact CD1-CZ 4.46Å; F346-F369 HydrophobicContact CD2-CZ 4.31Å; F346-F369 AromaticContact CE1-CE2 3.76Å; F346-F369 HydrophobicContact CE1-CE2 3.76Å; F346-F369 HydrophobicContact CE1-CZ 4.02Å; F346-F369 HydrophobicContact CE2-CE2 4.24Å; F346-F369 AromaticContact CE2-CZ 3.84Å; F346-F369 HydrophobicContact CE2-CZ 3.84Å; F346-F369 AromaticContact CZ-CE2 3.61Å; F346-F369 HydrophobicContact CZ-CE2 3.61Å; F346-F369 AromaticContact CZ-CZ 3.69Å; F346-F369 HydrophobicContact CZ-CZ 3.69Å; F346-I376 HydrophobicContact CE2-CD1 3.67Å; F346-I376 HydrophobicContact CZ-CD1 4.06Å; F346-A397 HydrophobicContact CB-CB 4.06Å; F346-A397 HydrophobicContact CD2-CB 4.3Å; F346-A397 HydrophobicContact CG-CB 4.14Å; F346-S400 VanDerWaalsContact CD1-OG 3.28Å; F346-S400 WeakPolarHBondContact CD1-OG 3.39Å; F346-W403 HydrophobicContact CE1-CB 4.16Å; F346-W403 HydrophobicContact CE1-CE3 4.08Å; F346-W403 HydrophobicContact CE2-CE3 4.23Å; F346-W403 HydrophobicContact CE2-CZ3 4.43Å; F346-W403 AromaticContact CZ-CE3 3.85Å; F346-W403 HydrophobicContact CZ-CE3 3.85Å; F346-W403 HydrophobicContact CZ-CZ3 4.41Å; F346-F408 HydrophobicContact CZ-CE2 4.46Å; F346-F408 HydrophobicContact CZ-CZ 4.27Å
347	T	90.7	Very high	90.6	Very high	14 Å²	14	13.7 Å²	13.7	9%	0.086	7%	0.07	C	C	.	.	H	α-helix	trans	-66.9	-42.7	177.1	-51.6	0	0	0	0	111.3	M301 S343 R344 V345 L349 E350 L351 S400	M301-T347 HydrophobicContact CE-CG2 3.57Å; M301-T347 HydrophobicContact SD-CG2 4.41Å; S343-T347 WeakPolarHBondContact O-CB 3.42Å; S343-T347 PolarHBondContact O-N 2.71Å; S343-T347 PolarHBondContact O-OG1 3.42Å; R344-T347 PolarHBondContact O-N 3.31Å; V345-T347 PolarHBondContact O-N 2.84Å; T347-L349 VanDerWaalsContact C-N 3.32Å; T347-L349 PolarHBondContact O-N 3.44Å; T347-E350 WeakPolarHBondContact O-CB 3.48Å; T347-E350 PolarHBondContact O-N 3.36Å; T347-E350 VanDerWaalsContact O-N 3.14Å; T347-L351 WeakPolarHBondContact O-CG 3.42Å; T347-L351 PolarHBondContact O-N 3.46Å; T347-S400 WeakPolarHBondContact OG1-CB 3.46Å
348	R	90.4	Very high	90.1	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-36.5	176.6	-73.3	175.1	172	173.6	-4.6	112.6	L295 S297 L299 W309 R344 V345 L351 I352	L295-R348 HydrophobicContact CD2-CB 3.66Å; L295-R348 VanDerWaalsContact O-CD 3.25Å; L295-R348 WeakPolarHBondContact O-CD 3.26Å; L295-R348 PolarHBondContact O-NH1 3.17Å; S297-R348 VanDerWaalsContact O-CZ 3.27Å; S297-R348 PolarHBondContact O-NH1 3Å; S297-R348 PolarHBondContact O-NH2 3.46Å; S297-R348 PolarHBondContact OG-NH1 3.37Å; S297-R348 PolarHBondContact OG-NH2 3.14Å; L299-R348 PolarHBondContact O-NH2 3.47Å; W309-R348 HydrophobicContact CD2-CG 4.47Å; W309-R348 HydrophobicContact CH2-CB 3.69Å; W309-R348 HydrophobicContact CH2-CG 3.79Å; W309-R348 HydrophobicContact CZ2-CB 3.63Å; W309-R348 HydrophobicContact CZ2-CG 3.48Å; W309-R348 VanDerWaalsContact CZ2-CG 3.48Å; W309-R348 HydrophobicContact CZ3-CG 4.39Å; R344-R348 WeakPolarHBondContact O-CB 3.47Å; R344-R348 VanDerWaalsContact O-CG 3.28Å; R344-R348 WeakPolarHBondContact O-CG 3.31Å; R344-R348 PolarHBondContact O-N 3.42Å; V345-R348 PolarHBondContact O-N 3.01Å; R348-L351 PolarHBondContact O-N 2.88Å; R348-I352 WeakPolarHBondContact O-CD1 3.49Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.38Å; R348-I352 PolarHBondContact O-N 3.2Å
349	L	92.1	Very high	89	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-39.8	172.3	-69.9	161.1	0	0	0	112.6	V285 L295 W327 V345 F346 T347 I352 A353 F369	V285-L349 HydrophobicContact CG1-CD1 3.37Å; V285-L349 HydrophobicContact CG1-CD2 3.9Å; V285-L349 HydrophobicContact CG1-CG 4.21Å; L295-L349 HydrophobicContact CD1-CD2 3.93Å; L295-L349 HydrophobicContact CD1-CG 4.46Å; L295-L349 HydrophobicContact CD2-CD2 4.07Å; L295-L349 HydrophobicContact CD2-CG 4.03Å; W327-L349 HydrophobicContact CH2-CD2 4.31Å; W327-L349 HydrophobicContact CZ2-CD2 4.46Å; V345-L349 HydrophobicContact CG1-CD1 3.99Å; V345-L349 WeakPolarHBondContact O-CD1 3.31Å; V345-L349 VanDerWaalsContact O-CG 3.28Å; V345-L349 WeakPolarHBondContact O-CG 3.41Å; V345-L349 PolarHBondContact O-N 3.49Å; F346-L349 PolarHBondContact O-N 3.29Å; T347-L349 VanDerWaalsContact C-N 3.32Å; T347-L349 PolarHBondContact O-N 3.44Å; L349-I352 PolarHBondContact O-N 3.05Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 2.82Å; L349-F369 HydrophobicContact CB-CE1 3.89Å; L349-F369 HydrophobicContact CB-CZ 4.26Å
350	E	92.1	Very high	87.8	Confident	8 Å²	8	27.9 Å²	27.9	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-45.2	174.9	-165.5	-101.3	115.5	0	0	111	F346 T347 A353 T354 F369 S402 K405	F346-E350 PolarHBondContact O-N 2.99Å; T347-E350 WeakPolarHBondContact O-CB 3.48Å; T347-E350 PolarHBondContact O-N 3.36Å; T347-E350 VanDerWaalsContact O-N 3.14Å; E350-A353 PolarHBondContact O-N 3.23Å; E350-T354 VanDerWaalsContact O-CB 3.29Å; E350-T354 WeakPolarHBondContact O-CB 3.39Å; E350-T354 PolarHBondContact O-N 3.1Å; E350-T354 PolarHBondContact O-OG1 3.4Å; E350-T354 VanDerWaalsContact O-OG1 3.09Å; E350-T354 PolarHBondContact OE1-OG1 3Å; E350-F369 HydrophobicContact CB-CD2 3.82Å; E350-F369 HydrophobicContact CB-CE1 4.46Å; E350-F369 HydrophobicContact CB-CE2 3.57Å; E350-F369 HydrophobicContact CB-CG 4.37Å; E350-F369 HydrophobicContact CB-CZ 3.92Å; E350-F369 HydrophobicContact CG-CD2 3.49Å; E350-F369 VanDerWaalsContact CG-CD2 3.49Å; E350-F369 HydrophobicContact CG-CE2 3.71Å; E350-F369 HydrophobicContact CG-CG 4.15Å; E350-S402 PolarHBondContact OE2-OG 2.96Å; E350-K405 IonicContact OE2-NZ 2.93Å; E350-K405 PolarHBondContact OE2-NZ 2.82Å
351	L	89.3	Confident	86.4	Confident	36 Å²	36	28.4 Å²	28.4	19%	0.188	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-43.2	177	-66.3	174	0	0	0	112.5	W309 M310 T347 R348 T354 E355	W309-L351 HydrophobicContact CE3-CD1 4.29Å; W309-L351 HydrophobicContact CH2-CB 4.46Å; W309-L351 HydrophobicContact CZ3-CB 3.94Å; W309-L351 HydrophobicContact CZ3-CD1 3.88Å; M310-L351 HydrophobicContact SD-CB 4.09Å; M310-L351 HydrophobicContact SD-CD1 4.09Å; M310-L351 HydrophobicContact SD-CD2 4.3Å; M310-L351 HydrophobicContact SD-CG 4.39Å; T347-L351 WeakPolarHBondContact O-CG 3.42Å; T347-L351 PolarHBondContact O-N 3.46Å; R348-L351 PolarHBondContact O-N 2.88Å; L351-T354 PolarHBondContact O-N 3.13Å; L351-E355 WeakPolarHBondContact O-CB 3.42Å; L351-E355 PolarHBondContact O-N 3.21Å
352	I	90.6	Very high	84.8	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-49	174.1	-68.3	160.1	0	0	0	110.6	L291 L295 W309 L313 W327 R348 L349 T354 C356	L291-I352 HydrophobicContact CD1-CD1 4.12Å; L291-I352 HydrophobicContact CD1-CG1 4.2Å; L291-I352 HydrophobicContact CD1-CG2 4.46Å; L295-I352 HydrophobicContact CD2-CD1 3.57Å; L295-I352 HydrophobicContact CG-CD1 4.24Å; W309-I352 HydrophobicContact CH2-CD1 4.37Å; W309-I352 HydrophobicContact CH2-CG1 4.1Å; L313-I352 HydrophobicContact CD1-CG1 3.71Å; L313-I352 HydrophobicContact CD2-CG1 4.09Å; W327-I352 HydrophobicContact CD2-CG2 4.23Å; W327-I352 HydrophobicContact CZ2-CG2 3.79Å; R348-I352 WeakPolarHBondContact O-CD1 3.49Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.38Å; R348-I352 PolarHBondContact O-N 3.2Å; L349-I352 PolarHBondContact O-N 3.05Å; I352-T354 VanDerWaalsContact C-N 3.35Å; I352-T354 PolarHBondContact O-N 2.79Å; I352-C356 VanDerWaalsContact O-CB 3.27Å; I352-C356 WeakPolarHBondContact O-CB 3.38Å; I352-C356 PolarHBondContact O-N 2.95Å; I352-C356 PolarHBondContact O-SG 3.48Å
353	A	91.2	Very high	82.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-42.7	-179.8	0	0	0	0	0	112	W327 L349 E350 R357 F369 I372	W327-A353 HydrophobicContact CE3-CB 3.88Å; W327-A353 HydrophobicContact CH2-CB 4.44Å; W327-A353 HydrophobicContact CZ3-CB 3.66Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 2.82Å; E350-A353 PolarHBondContact O-N 3.23Å; A353-R357 WeakPolarHBondContact O-CB 3.28Å; A353-R357 WeakPolarHBondContact O-CD 3.3Å; A353-R357 WeakPolarHBondContact O-CG 3.47Å; A353-R357 PolarHBondContact O-N 3.28Å; A353-F369 HydrophobicContact CB-CB 4.05Å; A353-F369 HydrophobicContact CB-CD1 3.94Å; A353-F369 HydrophobicContact CB-CG 4.31Å; A353-I372 HydrophobicContact CB-CD1 4.11Å
354	T	89.5	Confident	80.9	Confident	31 Å²	31	46.4 Å²	46.4	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-44	179.9	-68	0	0	0	0	111.8	E350 L351 I352 R357 R358 G370	E350-T354 VanDerWaalsContact O-CB 3.29Å; E350-T354 WeakPolarHBondContact O-CB 3.39Å; E350-T354 PolarHBondContact O-N 3.1Å; E350-T354 PolarHBondContact O-OG1 3.4Å; E350-T354 VanDerWaalsContact O-OG1 3.09Å; E350-T354 PolarHBondContact OE1-OG1 3Å; L351-T354 PolarHBondContact O-N 3.13Å; I352-T354 VanDerWaalsContact C-N 3.35Å; I352-T354 PolarHBondContact O-N 2.79Å; T354-R357 PolarHBondContact O-N 2.97Å; T354-R358 PolarHBondContact O-N 3.42Å; T354-R358 VanDerWaalsContact O-N 3.07Å; T354-G370 PolarHBondContact OG1-N 2.93Å; T354-G370 VanDerWaalsContact OG1-N 3.17Å
355	E	87.8	Confident	79.5	Confident	36 Å²	36	47.9 Å²	47.9	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-70.7	-43.2	179.6	-167.8	73.5	161.8	0	0	111.9	M310 L313 R314 L317 L351 R357 R358	M310-E355 HydrophobicContact CE-CB 4.43Å; M310-E355 HydrophobicContact CE-CG 4.41Å; L313-E355 HydrophobicContact CD2-CB 4.45Å; R314-E355 HydrophobicContact CG-CG 4.43Å; R314-E355 WeakPolarHBondContact CG-OE1 2.98Å; R314-E355 IonicContact CZ-OE1 3.65Å; R314-E355 IonicContact NE-OE1 2.78Å; R314-E355 PolarHBondContact NE-OE1 3.02Å; R314-E355 IonicContact NH2-OE1 3.61Å; L317-E355 HydrophobicContact CD1-CB 4.45Å; L317-E355 HydrophobicContact CD1-CG 4.31Å; L351-E355 WeakPolarHBondContact O-CB 3.42Å; L351-E355 PolarHBondContact O-N 3.21Å; E355-R357 PolarHBondContact O-N 2.81Å; E355-R358 VanDerWaalsContact O-CB 3.23Å; E355-R358 WeakPolarHBondContact O-CB 3.38Å; E355-R358 PolarHBondContact O-N 3.29Å; E355-R358 IonicContact OE1-NH1 3.7Å; E355-R358 PolarHBondContact OE1-NH1 3.14Å; E355-R358 WeakPolarHBondContact OE2-CD 3.26Å; E355-R358 IonicContact OE2-CZ 3.82Å; E355-R358 IonicContact OE2-NE 3.93Å; E355-R358 IonicContact OE2-NH1 2.89Å; E355-R358 PolarHBondContact OE2-NH1 3.25Å
356	C	88.1	Confident	78.3	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-58.1	-33.1	175.2	-75.3	0	0	0	0	113.1	L317 W327 Q328 I352	L317-C356 VanDerWaalsContact CD2-SG 3.6Å; W327-C356 HydrophobicContact CB-CB 3.51Å; W327-C356 HydrophobicContact CG-CB 4.19Å; Q328-C356 WeakPolarHBondContact CG-O 3.36Å; Q328-C356 PolarHBondContact NE2-O 2.91Å; I352-C356 VanDerWaalsContact O-CB 3.27Å; I352-C356 WeakPolarHBondContact O-CB 3.38Å; I352-C356 PolarHBondContact O-N 2.95Å; I352-C356 PolarHBondContact O-SG 3.48Å
357	R	87.6	Confident	77.7	Confident	28 Å²	28	61.8 Å²	61.8	11%	0.106	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	1.6	-176.8	-60.9	176.1	69.4	90.2	-1.6	113.6	W327 Q328 L330 A353 T354 E355 S359 M360 N361 G370	W327-R357 PolarHBondContact O-NH1 2.65Å; Q328-R357 PolarHBondContact O-NH1 2.96Å; L330-R357 PolarHBondContact O-NH1 3.13Å; A353-R357 WeakPolarHBondContact O-CB 3.28Å; A353-R357 WeakPolarHBondContact O-CD 3.3Å; A353-R357 WeakPolarHBondContact O-CG 3.47Å; A353-R357 PolarHBondContact O-N 3.28Å; T354-R357 PolarHBondContact O-N 2.97Å; E355-R357 PolarHBondContact O-N 2.81Å; R357-S359 PolarHBondContact O-N 3.26Å; R357-M360 HydrophobicContact CB-CE 3.9Å; R357-M360 HydrophobicContact CG-CE 3.81Å; R357-M360 PolarHBondContact O-N 2.78Å; R357-N361 PolarHBondContact O-N 3Å; R357-G370 PolarHBondContact NE-O 2.98Å
358	R	80.6	Confident	77.5	Confident	150 Å²	150	61.8 Å²	61.8	57%	0.566	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.6	-177	-173.9	169.4	178.9	169.1	-0.2	113.4	T354 E355 M360 N361	T354-R358 PolarHBondContact O-N 3.42Å; T354-R358 VanDerWaalsContact O-N 3.07Å; E355-R358 VanDerWaalsContact O-CB 3.23Å; E355-R358 WeakPolarHBondContact O-CB 3.38Å; E355-R358 PolarHBondContact O-N 3.29Å; E355-R358 IonicContact OE1-NH1 3.7Å; E355-R358 PolarHBondContact OE1-NH1 3.14Å; E355-R358 WeakPolarHBondContact OE2-CD 3.26Å; E355-R358 IonicContact OE2-CZ 3.82Å; E355-R358 IonicContact OE2-NE 3.93Å; E355-R358 IonicContact OE2-NH1 2.89Å; E355-R358 PolarHBondContact OE2-NH1 3.25Å; R358-M360 VanDerWaalsContact C-N 3.31Å; R358-M360 PolarHBondContact O-N 3.22Å; R358-N361 PolarHBondContact O-N 3.25Å
359	S	71.1	Confident	77.5	Confident	71 Å²	71	61.6 Å²	61.6	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.8	175	52.9	0	0	0	0	113.4	Q328 R357	Q328-S359 PolarHBondContact NE2-OG 2.93Å; Q328-S359 VanDerWaalsContact NE2-OG 3.16Å; R357-S359 PolarHBondContact O-N 3.26Å
360	M	67.4	Low	77.2	Confident	91 Å²	91	61.5 Å²	61.5	45%	0.448	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-26.1	-176.9	-58.5	-172	-60.8	0	0	112.8	Q328 R357 R358 K362	Q328-M360 HydrophobicContact CB-CE 3.89Å; Q328-M360 HydrophobicContact CB-SD 4.15Å; Q328-M360 HydrophobicContact CG-CE 3.99Å; Q328-M360 HydrophobicContact CG-SD 4.36Å; R357-M360 HydrophobicContact CB-CE 3.9Å; R357-M360 HydrophobicContact CG-CE 3.81Å; R357-M360 PolarHBondContact O-N 2.78Å; R358-M360 VanDerWaalsContact C-N 3.31Å; R358-M360 PolarHBondContact O-N 3.22Å; M360-K362 VanDerWaalsContact C-N 3.29Å; M360-K362 PolarHBondContact O-N 3.31Å
361	N	62.1	Low	77	Confident	49 Å²	49	63 Å²	63	26%	0.262	34%	0.336	S	S	.	.			trans	-88.3	22	-173	-70.9	-26.9	0	0	0	114.2	R357 R358 I363 G370	R357-N361 PolarHBondContact O-N 3Å; R358-N361 PolarHBondContact O-N 3.25Å; N361-I363 PolarHBondContact O-N 3.39Å; N361-G370 PolarHBondContact ND2-O 2.95Å; N361-G370 VanDerWaalsContact ND2-O 3.09Å
362	K	56.4	Low	77.1	Confident	184 Å²	184	61.4 Å²	61.4	80%	0.8	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.5	-177.5	-76.3	-172.2	175.4	-173.4	0	115.9	M360	M360-K362 VanDerWaalsContact C-N 3.29Å; M360-K362 PolarHBondContact O-N 3.31Å
363	I	53	Low	77.3	Confident	167 Å²	167	62.5 Å²	62.5	86%	0.856	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-10.3	-164.4	-61.6	175.5	0	0	0	113.9	N361	N361-I363 PolarHBondContact O-N 3.39Å
364	S	49	Very low	77.5	Confident	60 Å²	60	62.5 Å²	62.5	42%	0.42	33%	0.333	S	S	.	.	S	Bend	trans	-149.9	145.7	174	67.6	0	0	0	0	111.5
365	G	57.8	Low	77.8	Confident	64 Å²	64	61.3 Å²	61.3	66%	0.66	33%	0.326	S	S	*	.			trans	-53.1	162.4	-165.1	0	0	0	0	0	116.4	K367	G365-K367 PolarHBondContact O-N 3.43Å
366	Q	64.6	Low	78.2	Confident	182 Å²	182	59.6 Å²	59.6	85%	0.85	32%	0.318	S	S	*	.			trans	-53.3	95	-171.9	-65.1	-176.9	1.3	0	0	113.1
367	K	80	Confident	78.5	Confident	118 Å²	118	59.4 Å²	59.4	51%	0.513	32%	0.317	S	S	.	.			trans	-76.5	136.7	171.5	-66.1	176.5	-174.5	172.8	0	109.1	G365 G370	G365-K367 PolarHBondContact O-N 3.43Å; K367-G370 WeakPolarHBondContact O-CA 3.25Å; K367-G370 PolarHBondContact O-N 2.96Å; K367-G370 VanDerWaalsContact O-N 3.12Å
368	A	86.6	Confident	78.8	Confident	14 Å²	14	58.1 Å²	58.1	12%	0.116	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-53.3	142.2	175.6	0	0	0	0	0	111.4	G370 G371 K405 C406	A368-G370 PolarHBondContact O-N 2.85Å; A368-G371 PolarHBondContact O-N 3.27Å; A368-K405 HydrophobicContact CB-CB 3.92Å; A368-C406 HydrophobicContact CB-CB 4.47Å
369	F	89.9	Confident	79.4	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	50.5	37.2	-175.4	-78.6	-109.2	0	0	0	112.8	L333 F346 L349 E350 A353 G371 I372 L374	L333-F369 HydrophobicContact CD2-CD1 4.42Å; L333-F369 HydrophobicContact CD2-CE1 4.39Å; F346-F369 HydrophobicContact CD1-CZ 4.46Å; F346-F369 HydrophobicContact CD2-CZ 4.31Å; F346-F369 AromaticContact CE1-CE2 3.76Å; F346-F369 HydrophobicContact CE1-CE2 3.76Å; F346-F369 HydrophobicContact CE1-CZ 4.02Å; F346-F369 HydrophobicContact CE2-CE2 4.24Å; F346-F369 AromaticContact CE2-CZ 3.84Å; F346-F369 HydrophobicContact CE2-CZ 3.84Å; F346-F369 AromaticContact CZ-CE2 3.61Å; F346-F369 HydrophobicContact CZ-CE2 3.61Å; F346-F369 AromaticContact CZ-CZ 3.69Å; F346-F369 HydrophobicContact CZ-CZ 3.69Å; L349-F369 HydrophobicContact CB-CE1 3.89Å; L349-F369 HydrophobicContact CB-CZ 4.26Å; E350-F369 HydrophobicContact CB-CD2 3.82Å; E350-F369 HydrophobicContact CB-CE1 4.46Å; E350-F369 HydrophobicContact CB-CE2 3.57Å; E350-F369 HydrophobicContact CB-CG 4.37Å; E350-F369 HydrophobicContact CB-CZ 3.92Å; E350-F369 HydrophobicContact CG-CD2 3.49Å; E350-F369 VanDerWaalsContact CG-CD2 3.49Å; E350-F369 HydrophobicContact CG-CE2 3.71Å; E350-F369 HydrophobicContact CG-CG 4.15Å; A353-F369 HydrophobicContact CB-CB 4.05Å; A353-F369 HydrophobicContact CB-CD1 3.94Å; A353-F369 HydrophobicContact CB-CG 4.31Å; F369-G371 PolarHBondContact O-N 3.48Å; F369-I372 HydrophobicContact CB-CB 4.36Å; F369-I372 WeakPolarHBondContact O-CD1 3.36Å; F369-I372 WeakPolarHBondContact O-CG1 3.28Å; F369-I372 PolarHBondContact O-N 3.14Å; F369-I372 VanDerWaalsContact O-N 3.11Å; F369-L374 HydrophobicContact CB-CD2 4.32Å; F369-L374 HydrophobicContact CD1-CD1 4.46Å; F369-L374 HydrophobicContact CD1-CD2 4Å; F369-L374 HydrophobicContact CD2-CD1 3.65Å; F369-L374 HydrophobicContact CE1-CD2 4.46Å; F369-L374 HydrophobicContact CE2-CD1 3.88Å; F369-L374 HydrophobicContact CG-CD1 3.97Å; F369-L374 HydrophobicContact CG-CD2 4.06Å; F369-L374 HydrophobicContact CG-CG 4.49Å; F369-L374 HydrophobicContact CZ-CD1 4.38Å
370	G	85.9	Confident	80.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	55.9	20	-176.3	0	0	0	0	0	115.5	T354 R357 N361 K367 A368	T354-G370 PolarHBondContact OG1-N 2.93Å; T354-G370 VanDerWaalsContact OG1-N 3.17Å; R357-G370 PolarHBondContact NE-O 2.98Å; N361-G370 PolarHBondContact ND2-O 2.95Å; N361-G370 VanDerWaalsContact ND2-O 3.09Å; K367-G370 WeakPolarHBondContact O-CA 3.25Å; K367-G370 PolarHBondContact O-N 2.96Å; K367-G370 VanDerWaalsContact O-N 3.12Å; A368-G370 PolarHBondContact O-N 2.85Å
371	G	88.1	Confident	81.7	Confident	38 Å²	38	43.8 Å²	43.8	39%	0.392	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	89.4	16.1	-178	0	0	0	0	0	115.9	A368 F369	A368-G371 PolarHBondContact O-N 3.27Å; F369-G371 PolarHBondContact O-N 3.48Å
372	I	92.8	Very high	83.1	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.015	23%	0.231	C	C	.	.			trans	-74.3	137.1	169.6	-67.4	156.4	0	0	0	109.7	W327 L330 L333 A353 F369 L374	W327-I372 HydrophobicContact CE3-CD1 3.86Å; W327-I372 HydrophobicContact CZ3-CD1 4.11Å; L330-I372 HydrophobicContact CB-CD1 4.28Å; L330-I372 HydrophobicContact CB-CG1 4.44Å; L330-I372 HydrophobicContact CD2-CD1 3.84Å; L330-I372 HydrophobicContact CD2-CG1 4.39Å; L330-I372 HydrophobicContact CD2-CG2 4.12Å; L330-I372 HydrophobicContact CG-CD1 4.4Å; L330-I372 HydrophobicContact CG-CG2 4.35Å; L333-I372 HydrophobicContact CB-CG2 3.81Å; A353-I372 HydrophobicContact CB-CD1 4.11Å; F369-I372 HydrophobicContact CB-CB 4.36Å; F369-I372 WeakPolarHBondContact O-CD1 3.36Å; F369-I372 WeakPolarHBondContact O-CG1 3.28Å; F369-I372 PolarHBondContact O-N 3.14Å; F369-I372 VanDerWaalsContact O-N 3.11Å; I372-L374 HydrophobicContact CG2-CD2 4.22Å
373	Q	94.5	Very high	84.7	Confident	23 Å²	23	33 Å²	33	11%	0.107	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.5	172.2	-172.9	-176.1	-5.6	0	0	110.4	V235 G238 H239 N240 R331 Y332 L333	V235-Q373 PolarHBondContact O-NE2 2.78Å; G238-Q373 VanDerWaalsContact C-NE2 3.28Å; H239-Q373 PolarHBondContact O-NE2 3.01Å; N240-Q373 WeakPolarHBondContact OD1-CA 3.44Å; R331-Q373 PolarHBondContact O-N 3.4Å; Y332-Q373 CarbonylContact C-O 3.59Å; Y332-Q373 WeakPolarHBondContact CA-O 3.36Å; Y332-Q373 HydrophobicContact CD1-CB 4.14Å; Y332-Q373 VanDerWaalsContact CD1-OE1 3.29Å; L333-Q373 PolarHBondContact N-O 3.49Å
374	L	95.3	Very high	86.6	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	-177.5	-56.3	-178.2	0	0	0	111.4	N240 V241 L333 F369 I372 I376 C406 F408	N240-L374 CarbonylContact C-O 3.58Å; N240-L374 VanDerWaalsContact CA-O 3.3Å; N240-L374 WeakPolarHBondContact CA-O 3.26Å; N240-L374 HydrophobicContact CB-CB 4.49Å; N240-L374 PolarHBondContact OD1-N 3.31Å; V241-L374 PolarHBondContact N-O 3.29Å; L333-L374 HydrophobicContact CB-CD2 3.92Å; L333-L374 HydrophobicContact CD2-CD2 4Å; L333-L374 HydrophobicContact CG-CD2 4.3Å; L333-L374 WeakPolarHBondContact O-CA 3.14Å; F369-L374 HydrophobicContact CB-CD2 4.32Å; F369-L374 HydrophobicContact CD1-CD1 4.46Å; F369-L374 HydrophobicContact CD1-CD2 4Å; F369-L374 HydrophobicContact CD2-CD1 3.65Å; F369-L374 HydrophobicContact CE1-CD2 4.46Å; F369-L374 HydrophobicContact CE2-CD1 3.88Å; F369-L374 HydrophobicContact CG-CD1 3.97Å; F369-L374 HydrophobicContact CG-CD2 4.06Å; F369-L374 HydrophobicContact CG-CG 4.49Å; F369-L374 HydrophobicContact CZ-CD1 4.38Å; I372-L374 HydrophobicContact CG2-CD2 4.22Å; L374-I376 HydrophobicContact CB-CG1 4.29Å; L374-I376 HydrophobicContact CD1-CD1 4.49Å; L374-C406 HydrophobicContact CD1-CB 4.28Å; L374-C406 WeakPolarHBondContact CD1-SG 3.25Å; L374-F408 HydrophobicContact CB-CE1 3.75Å; L374-F408 HydrophobicContact CB-CZ 4.3Å; L374-F408 HydrophobicContact CD1-CE1 4.03Å; L374-F408 HydrophobicContact CD1-CZ 3.73Å
375	A	95	Very high	88.4	Confident	5 Å²	5	23 Å²	23	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	98.7	169	0	0	0	0	0	108.9	V235 L333 V334 I335 F377	V235-A375 HydrophobicContact CG2-CB 4.33Å; L333-A375 PolarHBondContact O-N 3.11Å; V334-A375 VanDerWaalsContact CA-O 3.27Å; V334-A375 WeakPolarHBondContact CA-O 3.48Å; V334-A375 HydrophobicContact CG2-CB 4.38Å; I335-A375 PolarHBondContact N-O 3.35Å; A375-F377 HydrophobicContact CB-CE2 3.98Å; A375-F377 WeakPolarHBondContact O-CD2 3.29Å
376	I	95.8	Very high	89.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.1	-170.7	-59.1	-168.8	0	0	0	110	V241 F242 C243 I335 I338 F346 L374 W403 F408	V241-I376 PolarHBondContact O-N 3.47Å; F242-I376 CarbonylContact C-O 3.53Å; F242-I376 WeakPolarHBondContact CA-O 3.42Å; F242-I376 HydrophobicContact CD2-CB 4.39Å; F242-I376 HydrophobicContact CD2-CG2 4.09Å; C243-I376 PolarHBondContact N-O 3.02Å; I335-I376 HydrophobicContact CB-CG1 4.37Å; I335-I376 HydrophobicContact CD1-CD1 4.2Å; I335-I376 HydrophobicContact CD1-CG1 4.36Å; I335-I376 HydrophobicContact CG1-CG1 4.46Å; I335-I376 CarbonylContact O-C 3.55Å; I335-I376 WeakPolarHBondContact O-CA 3.38Å; I338-I376 HydrophobicContact CB-CG2 3.53Å; I338-I376 HydrophobicContact CD1-CG2 3.89Å; I338-I376 HydrophobicContact CG1-CG2 3.53Å; I338-I376 HydrophobicContact CG2-CG2 3.79Å; F346-I376 HydrophobicContact CE2-CD1 3.67Å; F346-I376 HydrophobicContact CZ-CD1 4.06Å; L374-I376 HydrophobicContact CB-CG1 4.29Å; L374-I376 HydrophobicContact CD1-CD1 4.49Å; I376-W403 HydrophobicContact CD1-CZ3 4.02Å; I376-W403 HydrophobicContact CG2-CH2 4.27Å; I376-W403 HydrophobicContact CG2-CZ3 4.29Å; I376-F408 HydrophobicContact CD1-CE1 3.7Å; I376-F408 HydrophobicContact CD1-CE2 4.37Å; I376-F408 HydrophobicContact CD1-CZ 3.4Å; I376-F408 VanDerWaalsContact CD1-CZ 3.4Å; I376-F408 HydrophobicContact CG1-CE1 3.96Å; I376-F408 HydrophobicContact CG1-CZ 4.19Å
377	F	95	Very high	90.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.9	-177	-62.2	-99.5	0	0	0	110.8	V231 C243 L254 I255 V334 I335 D336 E337 I338 A375	V231-F377 HydrophobicContact CG1-CE1 4.38Å; V231-F377 HydrophobicContact CG1-CZ 4.39Å; C243-F377 HydrophobicContact CB-CD1 3.54Å; C243-F377 HydrophobicContact CB-CE1 3.53Å; C243-F377 HydrophobicContact CB-CG 4.36Å; C243-F377 HydrophobicContact CB-CZ 4.34Å; C243-F377 WeakPolarHBondContact O-CA 3.21Å; L254-F377 HydrophobicContact CD2-CE1 4.14Å; L254-F377 HydrophobicContact CG-CE1 4.21Å; I255-F377 HydrophobicContact CD1-CB 3.68Å; I255-F377 HydrophobicContact CD1-CD1 4.06Å; I255-F377 HydrophobicContact CD1-CD2 3.78Å; I255-F377 HydrophobicContact CD1-CE2 4.45Å; I255-F377 HydrophobicContact CD1-CG 3.57Å; I255-F377 HydrophobicContact CG1-CB 4.22Å; I255-F377 HydrophobicContact CG1-CD1 3.66Å; I255-F377 HydrophobicContact CG1-CD2 3.56Å; I255-F377 HydrophobicContact CG1-CE1 3.83Å; I255-F377 HydrophobicContact CG1-CE2 3.73Å; I255-F377 HydrophobicContact CG1-CG 3.54Å; I255-F377 HydrophobicContact CG1-CZ 3.87Å; V334-F377 HydrophobicContact CG1-CD2 4.16Å; V334-F377 HydrophobicContact CG1-CE2 4.03Å; I335-F377 PolarHBondContact O-N 2.85Å; D336-F377 CarbonylContact C-O 3.55Å; E337-F377 PolarHBondContact N-O 3.25Å; E337-F377 VanDerWaalsContact N-O 3.08Å; I338-F377 WeakPolarHBondContact CG2-O 3.38Å; I338-F377 PolarHBondContact N-O 3.44Å; A375-F377 HydrophobicContact CB-CE2 3.98Å; A375-F377 WeakPolarHBondContact O-CD2 3.29Å
378	G	93	Very high	89.9	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.			trans	151.8	-173.6	172.4	0	0	0	0	0	112.9	C243 T244	C243-G378 PolarHBondContact O-N 2.83Å; T244-G378 VanDerWaalsContact CA-O 3.28Å; T244-G378 WeakPolarHBondContact CA-O 3.39Å; T244-G378 VanDerWaalsContact CB-O 3.32Å; T244-G378 WeakPolarHBondContact CB-O 3.11Å; T244-G378 PolarHBondContact OG1-O 2.9Å
379	D	93.9	Very high	89.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.148	C	C	.	.			trans	-144.9	105.4	-171.1	-175.7	19.9	0	0	0	108.8	G245 G246 S339 F381 Q382 R433 Y662	G245-D379 WeakPolarHBondContact O-CB 3.45Å; G245-D379 VanDerWaalsContact O-CG 3.24Å; G246-D379 WeakPolarHBondContact CA-OD2 3.44Å; S339-D379 WeakPolarHBondContact CB-O 3.28Å; D379-F381 PolarHBondContact O-N 3.28Å; D379-F381 VanDerWaalsContact O-N 3.11Å; D379-Q382 HydrophobicContact CB-CG 4.05Å; D379-Q382 WeakPolarHBondContact O-CB 3.48Å; D379-Q382 PolarHBondContact O-N 2.82Å; D379-Q382 WeakPolarHBondContact OD2-CG 3.44Å; D379-Q382 PolarHBondContact OD2-NE2 2.8Å; D379-R433 IonicContact OD1-CZ 3.85Å; D379-R433 IonicContact OD1-NE 3.67Å; D379-R433 PolarHBondContact OD1-NE 3.04Å; D379-R433 IonicContact OD1-NH2 3.2Å; D379-R433 PolarHBondContact OD1-NH2 2.77Å; D379-R433 IonicContact OD2-NE 2.74Å; D379-R433 PolarHBondContact OD2-NE 3.08Å; D379-Y662 PolarHBondContact OD1-OH 2.94Å
380	F	94.3	Very high	88	Confident	4 Å²	4	29 Å²	29	2%	0.018	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.5	-173.5	-66.9	-78.6	0	0	0	113.4	F242 I338 Q382 F396 A397 F398 W403 V658 F661 Y662	F242-F380 HydrophobicContact CE1-CE2 4.22Å; F242-F380 HydrophobicContact CE2-CE2 4Å; F242-F380 AromaticContact CZ-CD2 3.86Å; F242-F380 HydrophobicContact CZ-CD2 3.86Å; F242-F380 AromaticContact CZ-CE2 3.53Å; F242-F380 HydrophobicContact CZ-CE2 3.53Å; I338-F380 HydrophobicContact CG1-CE1 4.47Å; I338-F380 HydrophobicContact CG1-CZ 4.01Å; I338-F380 HydrophobicContact CG2-CE1 4.25Å; I338-F380 HydrophobicContact CG2-CE2 4.1Å; I338-F380 HydrophobicContact CG2-CZ 3.75Å; F380-Q382 VanDerWaalsContact C-N 3.31Å; F380-F396 HydrophobicContact CD1-CB 4.42Å; F380-F396 AromaticContact CD1-CD1 3.82Å; F380-F396 HydrophobicContact CD1-CD1 3.82Å; F380-F396 HydrophobicContact CD1-CE1 4.48Å; F380-F396 HydrophobicContact CD1-CG 4.43Å; F380-F396 HydrophobicContact CE1-CB 4.44Å; F380-F396 HydrophobicContact CE1-CD1 4.45Å; F380-A397 HydrophobicContact CE1-CB 4.32Å; F380-A397 HydrophobicContact CZ-CB 4.32Å; F380-F398 HydrophobicContact CB-CE1 4.19Å; F380-F398 AromaticContact CD1-CD1 3.75Å; F380-F398 HydrophobicContact CD1-CD1 3.75Å; F380-F398 AromaticContact CD1-CE1 3.96Å; F380-F398 HydrophobicContact CD1-CE1 3.96Å; F380-F398 AromaticContact CD2-CD1 3.79Å; F380-F398 HydrophobicContact CD2-CD1 3.79Å; F380-F398 HydrophobicContact CD2-CE1 4.31Å; F380-F398 AromaticContact CE1-CD1 3.79Å; F380-F398 HydrophobicContact CE1-CD1 3.79Å; F380-F398 HydrophobicContact CE1-CE1 4.42Å; F380-F398 HydrophobicContact CE2-CB 4.31Å; F380-F398 AromaticContact CE2-CD1 3.81Å; F380-F398 HydrophobicContact CE2-CD1 3.81Å; F380-F398 AromaticContact CG-CD1 3.77Å; F380-F398 HydrophobicContact CG-CD1 3.77Å; F380-F398 AromaticContact CG-CE1 3.91Å; F380-F398 HydrophobicContact CG-CE1 3.91Å; F380-F398 HydrophobicContact CZ-CB 4.3Å; F380-F398 AromaticContact CZ-CD1 3.82Å; F380-F398 HydrophobicContact CZ-CD1 3.82Å; F380-W403 HydrophobicContact CE2-CH2 4.23Å; F380-W403 HydrophobicContact CZ-CH2 4.24Å; F380-W403 HydrophobicContact CZ-CZ3 4.47Å; F380-V658 HydrophobicContact CB-CG1 3.79Å; F380-V658 HydrophobicContact CB-CG2 4.01Å; F380-F661 HydrophobicContact CD2-CD1 4.28Å; F380-F661 AromaticContact CD2-CE1 3.82Å; F380-F661 HydrophobicContact CD2-CE1 3.82Å; F380-F661 AromaticContact CE2-CE1 3.95Å; F380-F661 HydrophobicContact CE2-CE1 3.95Å; F380-Y662 HydrophobicContact CB-CE2 4.09Å; F380-Y662 PolarHBondContact N-OH 2.74Å; F380-Y662 VanDerWaalsContact N-OH 3.13Å
381	F	93.1	Very high	87.1	Confident	8 Å²	8	31 Å²	31	4%	0.035	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.9	168	-69	-70.2	0	0	0	114	D379 R433 E434 G627 Y630 A654 V658 I659 Y662	D379-F381 PolarHBondContact O-N 3.28Å; D379-F381 VanDerWaalsContact O-N 3.11Å; F381-R433 HydrophobicContact CB-CG 3.53Å; F381-R433 WeakPolarHBondContact CB-O 3.38Å; F381-R433 HydrophobicContact CD1-CG 4.5Å; F381-R433 WeakPolarHBondContact CD1-O 3.22Å; F381-R433 HydrophobicContact CD2-CG 3.8Å; F381-R433 HydrophobicContact CG-CG 3.73Å; F381-R433 WeakPolarHBondContact CG-O 3.37Å; F381-E434 HydrophobicContact CE1-CG 4.45Å; F381-E434 HydrophobicContact CZ-CG 4.11Å; F381-G627 VanDerWaalsContact O-CA 3.29Å; F381-G627 WeakPolarHBondContact O-CA 3.35Å; F381-Y630 WeakPolarHBondContact O-CD1 3.3Å; F381-A654 HydrophobicContact CD1-CB 3.95Å; F381-A654 HydrophobicContact CE1-CB 4.08Å; F381-V658 HydrophobicContact CD1-CG1 3.61Å; F381-V658 HydrophobicContact CD2-CG1 4.15Å; F381-V658 HydrophobicContact CE1-CB 4.47Å; F381-V658 HydrophobicContact CE1-CG1 3.7Å; F381-V658 HydrophobicContact CE2-CG1 4.25Å; F381-V658 HydrophobicContact CG-CG1 3.87Å; F381-V658 HydrophobicContact CZ-CG1 4.03Å; F381-I659 HydrophobicContact CE1-CG1 4.05Å; F381-Y662 AromaticContact CD2-CD2 3.74Å; F381-Y662 HydrophobicContact CD2-CD2 3.74Å; F381-Y662 HydrophobicContact CD2-CE1 4.48Å; F381-Y662 AromaticContact CD2-CE2 3.52Å; F381-Y662 HydrophobicContact CD2-CE2 3.52Å; F381-Y662 HydrophobicContact CD2-CG 4.31Å; F381-Y662 AromaticContact CD2-CZ 3.95Å; F381-Y662 AromaticContact CE2-CD1 4Å; F381-Y662 HydrophobicContact CE2-CD1 4Å; F381-Y662 AromaticContact CE2-CD2 3.14Å; F381-Y662 HydrophobicContact CE2-CD2 3.14Å; F381-Y662 HydrophobicContact CE2-CE1 4.27Å; F381-Y662 AromaticContact CE2-CE2 3.47Å; F381-Y662 HydrophobicContact CE2-CE2 3.47Å; F381-Y662 VanDerWaalsContact CE2-CE2 3.47Å; F381-Y662 AromaticContact CE2-CG 3.45Å; F381-Y662 HydrophobicContact CE2-CG 3.45Å; F381-Y662 VanDerWaalsContact CE2-CG 3.45Å; F381-Y662 HydrophobicContact CG-CE2 4.41Å; F381-Y662 AromaticContact CZ-CD2 3.65Å; F381-Y662 HydrophobicContact CZ-CD2 3.65Å; F381-Y662 HydrophobicContact CZ-CE2 4.28Å; F381-Y662 HydrophobicContact CZ-CG 4.02Å
382	Q	91.9	Very high	86	Confident	6 Å²	6	32.8 Å²	32.8	3%	0.028	20%	0.196	C	C	.	.	S	Bend	trans	-85.4	-150.3	170.7	-66.2	-175.2	55.1	0	0	110.1	D379 F380 Y630 V631	D379-Q382 HydrophobicContact CB-CG 4.05Å; D379-Q382 WeakPolarHBondContact O-CB 3.48Å; D379-Q382 PolarHBondContact O-N 2.82Å; D379-Q382 WeakPolarHBondContact OD2-CG 3.44Å; D379-Q382 PolarHBondContact OD2-NE2 2.8Å; F380-Q382 VanDerWaalsContact C-N 3.31Å; Q382-Y630 HydrophobicContact CG-CD1 3.96Å; Q382-Y630 HydrophobicContact CG-CE1 3.68Å; Q382-V631 HydrophobicContact CB-CG2 3.54Å; Q382-V631 HydrophobicContact CG-CG2 3.71Å
383	L	90.1	Very high	85	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-67.8	131.7	-175	-67.7	169.9	0	0	0	111.3	S339 M340 H606 Q628 V631	S339-L383 CarbonylContact C-O 3.4Å; S339-L383 WeakPolarHBondContact CB-O 3.48Å; S339-L383 PolarHBondContact OG-O 2.99Å; M340-L383 HydrophobicContact CG-CB 4.39Å; L383-H606 HydrophobicContact CD1-CB 4.46Å; L383-Q628 HydrophobicContact CD2-CB 3.98Å; L383-Q628 HydrophobicContact CD2-CG 4.16Å; L383-V631 HydrophobicContact CG-CG2 4.13Å
384	P	91.3	Very high	84.2	Confident	10 Å²	10	42.5 Å²	42.5	7%	0.065	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-71.7	172.5	174	30.3	-33.9	0	0	0	111.7	S339 F396 E625	S339-P384 CarbonylContact O-C 3.51Å; P384-F396 HydrophobicContact CB-CE1 3.74Å; P384-F396 HydrophobicContact CB-CZ 4.1Å; P384-E625 HydrophobicContact CG-CB 4.29Å; P384-E625 HydrophobicContact CG-CG 4.14Å; P384-E625 VanDerWaalsContact CG-OE2 3.3Å; P384-E625 WeakPolarHBondContact CG-OE2 3.44Å
385	P	88.4	Confident	83.8	Confident	7 Å²	7	44.1 Å²	44.1	5%	0.045	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-66.9	141.3	170.4	30.5	-35.1	0	0	0	110.4	S339 M340 V387 K395	S339-P385 WeakPolarHBondContact O-CD 3.35Å; M340-P385 WeakPolarHBondContact O-CB 3.27Å; P385-V387 HydrophobicContact CB-CG1 4.09Å; P385-V387 HydrophobicContact CG-CG1 4.07Å; P385-V387 PolarHBondContact O-N 3.33Å; P385-V387 VanDerWaalsContact O-N 3.11Å; P385-K395 HydrophobicContact CG-CB 4.27Å; P385-K395 HydrophobicContact CG-CG 4.44Å
386	V	82.4	Confident	83.7	Confident	132 Å²	132	44 Å²	44	80%	0.8	25%	0.253	S	S	*	.			trans	-73.8	102.6	170.4	-176.7	0	0	0	0	107.6
387	V	77.5	Confident	83.6	Confident	40 Å²	40	44 Å²	44	24%	0.242	25%	0.253	C	S	.	.			trans	-120	151.7	-179.9	-66.6	0	0	0	0	110.4	P385 E391 K395	P385-V387 HydrophobicContact CB-CG1 4.09Å; P385-V387 HydrophobicContact CG-CG1 4.07Å; P385-V387 PolarHBondContact O-N 3.33Å; P385-V387 VanDerWaalsContact O-N 3.11Å; V387-E391 HydrophobicContact CB-CB 4.31Å; V387-K395 HydrophobicContact CG1-CB 4.46Å; V387-K395 HydrophobicContact CG2-CB 4.1Å
388	H	72.5	Confident	83.5	Confident	120 Å²	120	45.2 Å²	45.2	56%	0.556	26%	0.258	S	S	*	.			trans	-64.4	148.6	169.7	-72.7	-78.3	0	0	0	110.2	S390 E391	H388-S390 PolarHBondContact O-N 3.47Å; H388-E391 PolarHBondContact O-N 3.24Å
389	P	69.6	Low	83.4	Confident	115 Å²	115	47.3 Å²	47.3	75%	0.747	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-54.5	-28	-179	-28.6	35.9	0	0	0	114.5	E391 S392	P389-E391 VanDerWaalsContact C-N 3.31Å; P389-E391 PolarHBondContact O-N 3.26Å; P389-S392 WeakPolarHBondContact O-CB 3.44Å; P389-S392 PolarHBondContact O-N 2.91Å; P389-S392 PolarHBondContact O-OG 3.42Å
390	S	67.4	Low	83.2	Confident	95 Å²	95	47.6 Å²	47.6	66%	0.664	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-68.5	-19.3	175	50.9	0	0	0	0	115	H388	H388-S390 PolarHBondContact O-N 3.47Å
391	E	67.4	Low	82.8	Confident	42 Å²	42	51.1 Å²	51.1	20%	0.196	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-103.3	21.8	176.8	-61.9	-162.5	155.2	0	0	112.5	R344 V387 H388 P389 I393	R344-E391 VanDerWaalsContact CD-OE1 3.25Å; R344-E391 WeakPolarHBondContact CD-OE1 3.41Å; R344-E391 IonicContact CZ-OE1 2.84Å; R344-E391 VanDerWaalsContact CZ-OE1 3.22Å; R344-E391 IonicContact CZ-OE2 3.98Å; R344-E391 IonicContact NE-OE1 3.66Å; R344-E391 PolarHBondContact NE-OE1 3.43Å; R344-E391 IonicContact NE-OE2 2.76Å; R344-E391 PolarHBondContact NE-OE2 3.14Å; R344-E391 IonicContact NH1-OE1 3.21Å; R344-E391 PolarHBondContact NH1-OE1 3.35Å; R344-E391 IonicContact NH1-OE2 2.99Å; R344-E391 IonicContact NH2-OE2 3.25Å; V387-E391 HydrophobicContact CB-CB 4.31Å; H388-E391 PolarHBondContact O-N 3.24Å; P389-E391 VanDerWaalsContact C-N 3.31Å; P389-E391 PolarHBondContact O-N 3.26Å; E391-I393 VanDerWaalsContact C-N 3.25Å; E391-I393 PolarHBondContact O-N 3.17Å
392	S	65	Low	82.7	Confident	77 Å²	77	50.8 Å²	50.8	54%	0.538	29%	0.293	S	S	.	.			trans	-62.1	-28.8	179.9	47.7	0	0	0	0	113.9	P389 N394	P389-S392 WeakPolarHBondContact O-CB 3.44Å; P389-S392 PolarHBondContact O-N 2.91Å; P389-S392 PolarHBondContact O-OG 3.42Å; S392-N394 PolarHBondContact O-N 3.21Å
393	I	71.3	Confident	82.7	Confident	144 Å²	144	51.5 Å²	51.5	74%	0.738	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	122.5	177.4	-55.7	175.6	0	0	0	109.7	E391	E391-I393 VanDerWaalsContact C-N 3.25Å; E391-I393 PolarHBondContact O-N 3.17Å
394	N	78.1	Confident	82.7	Confident	86 Å²	86	54.9 Å²	54.9	46%	0.46	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	38.7	-177.9	-63	-41.1	0	0	0	115	S343 S392 F396 Q399	S343-N394 WeakPolarHBondContact CB-O 3.32Å; S392-N394 PolarHBondContact O-N 3.21Å; N394-F396 PolarHBondContact O-N 3.38Å; N394-Q399 VanDerWaalsContact C-OE1 3.24Å; N394-Q399 HydrophobicContact CB-CB 3.98Å; N394-Q399 PolarHBondContact OD1-NE2 3.35Å
395	K	87.7	Confident	82.6	Confident	34 Å²	34	59.5 Å²	59.5	15%	0.148	34%	0.343	C	S	.	.			trans	-57.6	-37.9	-177.9	69.9	-172.7	178.6	-169.9	0	114.7	S342 S343 P385 V387 D655	S342-K395 CarbonylContact C-O 3.51Å; S342-K395 WeakPolarHBondContact CA-O 3.31Å; S343-K395 PolarHBondContact N-O 2.77Å; P385-K395 HydrophobicContact CG-CB 4.27Å; P385-K395 HydrophobicContact CG-CG 4.44Å; V387-K395 HydrophobicContact CG1-CB 4.46Å; V387-K395 HydrophobicContact CG2-CB 4.1Å; K395-D655 WeakPolarHBondContact CE-OD2 3.41Å; K395-D655 IonicContact NZ-OD2 2.72Å; K395-D655 PolarHBondContact NZ-OD2 2.62Å
396	F	92.1	Very high	82.6	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.018	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-84	146.4	-170.3	-62.6	-78.3	0	0	0	114.4	S343 F380 P384 N394 F398 Q399 D655 V658	S343-F396 WeakPolarHBondContact CB-O 3.4Å; F380-F396 HydrophobicContact CD1-CB 4.42Å; F380-F396 AromaticContact CD1-CD1 3.82Å; F380-F396 HydrophobicContact CD1-CD1 3.82Å; F380-F396 HydrophobicContact CD1-CE1 4.48Å; F380-F396 HydrophobicContact CD1-CG 4.43Å; F380-F396 HydrophobicContact CE1-CB 4.44Å; F380-F396 HydrophobicContact CE1-CD1 4.45Å; P384-F396 HydrophobicContact CB-CE1 3.74Å; P384-F396 HydrophobicContact CB-CZ 4.1Å; N394-F396 PolarHBondContact O-N 3.38Å; F396-F398 HydrophobicContact CB-CD1 3.55Å; F396-F398 HydrophobicContact CB-CE1 3.29Å; F396-F398 HydrophobicContact CB-CG 4.33Å; F396-F398 HydrophobicContact CB-CZ 3.89Å; F396-F398 HydrophobicContact CD1-CE1 4.15Å; F396-F398 AromaticContact CD2-CE1 3.71Å; F396-F398 HydrophobicContact CD2-CE1 3.71Å; F396-F398 AromaticContact CD2-CZ 3.75Å; F396-F398 HydrophobicContact CD2-CZ 3.75Å; F396-F398 HydrophobicContact CG-CD1 4.21Å; F396-F398 AromaticContact CG-CE1 3.48Å; F396-F398 HydrophobicContact CG-CE1 3.48Å; F396-F398 VanDerWaalsContact CG-CE1 3.48Å; F396-F398 HydrophobicContact CG-CZ 4Å; F396-F398 PolarHBondContact O-N 3.06Å; F396-F398 VanDerWaalsContact O-N 3.09Å; F396-Q399 HydrophobicContact CB-CG 4.36Å; F396-Q399 WeakPolarHBondContact O-CB 3.23Å; F396-Q399 PolarHBondContact O-N 3.07Å; F396-D655 HydrophobicContact CE2-CB 4.01Å; F396-D655 HydrophobicContact CZ-CB 4Å; F396-V658 HydrophobicContact CD2-CG2 4.13Å; F396-V658 HydrophobicContact CE1-CG2 4.02Å; F396-V658 HydrophobicContact CE2-CG2 3.53Å; F396-V658 HydrophobicContact CZ-CG2 3.45Å; F396-V658 VanDerWaalsContact CZ-CG2 3.45Å
397	A	92.9	Very high	83	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-49.4	-37.5	176.6	0	0	0	0	0	114.9	I338 L341 F346 F380 Q399 S400 W403	I338-A397 HydrophobicContact CD1-CB 4.13Å; I338-A397 HydrophobicContact CG1-CB 4.12Å; L341-A397 PolarHBondContact O-N 3.3Å; F346-A397 HydrophobicContact CB-CB 4.06Å; F346-A397 HydrophobicContact CD2-CB 4.3Å; F346-A397 HydrophobicContact CG-CB 4.14Å; F380-A397 HydrophobicContact CE1-CB 4.32Å; F380-A397 HydrophobicContact CZ-CB 4.32Å; A397-Q399 PolarHBondContact O-N 2.98Å; A397-S400 WeakPolarHBondContact O-CB 3.47Å; A397-S400 PolarHBondContact O-N 3.43Å; A397-S400 VanDerWaalsContact O-N 3.16Å; A397-S400 PolarHBondContact O-OG 2.93Å; A397-W403 HydrophobicContact CB-CE3 4.42Å
398	F	93.2	Very high	83.6	Confident	24 Å²	24	62.9 Å²	62.9	11%	0.105	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.2	179.9	69	-100.4	0	0	0	114.6	F380 F396 S400 W403 N657 V658 F661	F380-F398 HydrophobicContact CB-CE1 4.19Å; F380-F398 AromaticContact CD1-CD1 3.75Å; F380-F398 HydrophobicContact CD1-CD1 3.75Å; F380-F398 AromaticContact CD1-CE1 3.96Å; F380-F398 HydrophobicContact CD1-CE1 3.96Å; F380-F398 AromaticContact CD2-CD1 3.79Å; F380-F398 HydrophobicContact CD2-CD1 3.79Å; F380-F398 HydrophobicContact CD2-CE1 4.31Å; F380-F398 AromaticContact CE1-CD1 3.79Å; F380-F398 HydrophobicContact CE1-CD1 3.79Å; F380-F398 HydrophobicContact CE1-CE1 4.42Å; F380-F398 HydrophobicContact CE2-CB 4.31Å; F380-F398 AromaticContact CE2-CD1 3.81Å; F380-F398 HydrophobicContact CE2-CD1 3.81Å; F380-F398 AromaticContact CG-CD1 3.77Å; F380-F398 HydrophobicContact CG-CD1 3.77Å; F380-F398 AromaticContact CG-CE1 3.91Å; F380-F398 HydrophobicContact CG-CE1 3.91Å; F380-F398 HydrophobicContact CZ-CB 4.3Å; F380-F398 AromaticContact CZ-CD1 3.82Å; F380-F398 HydrophobicContact CZ-CD1 3.82Å; F396-F398 HydrophobicContact CB-CD1 3.55Å; F396-F398 HydrophobicContact CB-CE1 3.29Å; F396-F398 HydrophobicContact CB-CG 4.33Å; F396-F398 HydrophobicContact CB-CZ 3.89Å; F396-F398 HydrophobicContact CD1-CE1 4.15Å; F396-F398 AromaticContact CD2-CE1 3.71Å; F396-F398 HydrophobicContact CD2-CE1 3.71Å; F396-F398 AromaticContact CD2-CZ 3.75Å; F396-F398 HydrophobicContact CD2-CZ 3.75Å; F396-F398 HydrophobicContact CG-CD1 4.21Å; F396-F398 AromaticContact CG-CE1 3.48Å; F396-F398 HydrophobicContact CG-CE1 3.48Å; F396-F398 VanDerWaalsContact CG-CE1 3.48Å; F396-F398 HydrophobicContact CG-CZ 4Å; F396-F398 PolarHBondContact O-N 3.06Å; F396-F398 VanDerWaalsContact O-N 3.09Å; F398-S400 VanDerWaalsContact C-N 3.31Å; F398-W403 HydrophobicContact CB-CD2 4.17Å; F398-W403 HydrophobicContact CB-CG 4.33Å; F398-W403 HydrophobicContact CB-CZ2 4.43Å; F398-N657 HydrophobicContact CZ-CB 4.25Å; F398-V658 HydrophobicContact CE1-CG2 4.01Å; F398-V658 HydrophobicContact CZ-CG2 4.08Å; F398-F661 HydrophobicContact CB-CD1 4.47Å; F398-F661 HydrophobicContact CB-CD2 4.04Å; F398-F661 HydrophobicContact CB-CE1 4.06Å; F398-F661 HydrophobicContact CB-CE2 3.61Å; F398-F661 HydrophobicContact CB-CG 4.45Å; F398-F661 HydrophobicContact CB-CZ 3.61Å; F398-F661 HydrophobicContact CD1-CD1 4.02Å; F398-F661 HydrophobicContact CD1-CE1 4.17Å; F398-F661 HydrophobicContact CD1-CG 4.26Å; F398-F661 HydrophobicContact CD2-CB 3.96Å; F398-F661 HydrophobicContact CD2-CD1 4.25Å; F398-F661 AromaticContact CD2-CD2 3.56Å; F398-F661 HydrophobicContact CD2-CD2 3.56Å; F398-F661 HydrophobicContact CD2-CE2 4.06Å; F398-F661 AromaticContact CD2-CG 3.66Å; F398-F661 HydrophobicContact CD2-CG 3.66Å; F398-F661 HydrophobicContact CE1-CD1 4.31Å; F398-F661 HydrophobicContact CE1-CG 4.46Å; F398-F661 HydrophobicContact CE2-CB 3.67Å; F398-F661 HydrophobicContact CE2-CD2 4.18Å; F398-F661 AromaticContact CE2-CG 3.9Å; F398-F661 HydrophobicContact CE2-CG 3.9Å; F398-F661 AromaticContact CG-CD1 4Å; F398-F661 HydrophobicContact CG-CD1 4Å; F398-F661 AromaticContact CG-CD2 3.85Å; F398-F661 HydrophobicContact CG-CD2 3.85Å; F398-F661 HydrophobicContact CG-CE1 4.07Å; F398-F661 AromaticContact CG-CE2 3.94Å; F398-F661 HydrophobicContact CG-CE2 3.94Å; F398-F661 AromaticContact CG-CG 3.88Å; F398-F661 HydrophobicContact CG-CG 3.88Å; F398-F661 HydrophobicContact CG-CZ 4.04Å; F398-F661 HydrophobicContact CZ-CB 4.01Å; F398-F661 HydrophobicContact CZ-CG 4.3Å
399	Q	91.5	Very high	84.5	Confident	44 Å²	44	62.9 Å²	62.9	21%	0.206	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-85.1	-6.8	176.7	-57.5	176.4	-76.1	0	0	112.1	N394 F396 A397	N394-Q399 VanDerWaalsContact C-OE1 3.24Å; N394-Q399 HydrophobicContact CB-CB 3.98Å; N394-Q399 PolarHBondContact OD1-NE2 3.35Å; F396-Q399 HydrophobicContact CB-CG 4.36Å; F396-Q399 WeakPolarHBondContact O-CB 3.23Å; F396-Q399 PolarHBondContact O-N 3.07Å; A397-Q399 PolarHBondContact O-N 2.98Å
400	S	88.9	Confident	85.6	Confident	7 Å²	7	59 Å²	59	5%	0.049	31%	0.307	C	S	.	.	S	Bend	trans	-72.5	145.1	176.7	68	0	0	0	0	112.5	S343 F346 T347 A397 F398 S402 W403	S343-S400 WeakPolarHBondContact OG-CA 3.27Å; S343-S400 VanDerWaalsContact OG-CB 3.32Å; S343-S400 WeakPolarHBondContact OG-CB 3.24Å; S343-S400 PolarHBondContact OG-N 3.25Å; F346-S400 VanDerWaalsContact CD1-OG 3.28Å; F346-S400 WeakPolarHBondContact CD1-OG 3.39Å; T347-S400 WeakPolarHBondContact OG1-CB 3.46Å; A397-S400 WeakPolarHBondContact O-CB 3.47Å; A397-S400 PolarHBondContact O-N 3.43Å; A397-S400 VanDerWaalsContact O-N 3.16Å; A397-S400 PolarHBondContact O-OG 2.93Å; F398-S400 VanDerWaalsContact C-N 3.31Å; S400-S402 PolarHBondContact O-N 3.37Å; S400-W403 WeakPolarHBondContact O-CB 3.41Å; S400-W403 PolarHBondContact O-N 3.24Å; S400-W403 WeakPolarHBondContact OG-CB 3.42Å; S400-W403 PolarHBondContact OG-N 3.48Å
401	S	87.4	Confident	86.7	Confident	78 Å²	78	55.3 Å²	55.3	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-32.9	170.6	59	0	0	0	0	111.8	W403 A404 K405	S401-W403 VanDerWaalsContact C-N 3.33Å; S401-W403 PolarHBondContact O-N 2.71Å; S401-A404 PolarHBondContact O-N 2.84Å; S401-K405 WeakPolarHBondContact O-CG 3.02Å; S401-K405 PolarHBondContact O-N 3.03Å; S401-K405 VanDerWaalsContact O-N 3.15Å
402	S	89.9	Confident	87.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-34.7	174.9	-61.9	0	0	0	0	112.8	E350 S400 A404 K405 C406	E350-S402 PolarHBondContact OE2-OG 2.96Å; S400-S402 PolarHBondContact O-N 3.37Å; S402-A404 PolarHBondContact O-N 2.99Å; S402-K405 PolarHBondContact O-N 3.09Å; S402-C406 PolarHBondContact O-N 3.3Å; S402-C406 VanDerWaalsContact O-N 3.17Å; S402-C406 PolarHBondContact O-SG 3.49Å
403	W	91.7	Very high	89	Confident	21 Å²	21	51.3 Å²	51.3	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-44	174.4	-174.6	-88	0	0	0	112.1	F242 I338 F346 I376 F380 A397 F398 S400 S401 K405 C406 F408 F661	F242-W403 HydrophobicContact CB-CH2 4.27Å; F242-W403 HydrophobicContact CB-CZ2 4.14Å; F242-W403 HydrophobicContact CD1-CH2 4.18Å; F242-W403 AromaticContact CD1-CZ2 3.72Å; F242-W403 HydrophobicContact CD1-CZ2 3.72Å; F242-W403 AromaticContact CD2-CH2 3.74Å; F242-W403 HydrophobicContact CD2-CH2 3.74Å; F242-W403 HydrophobicContact CD2-CZ2 4.14Å; F242-W403 HydrophobicContact CE1-CZ2 4.15Å; F242-W403 HydrophobicContact CE2-CH2 4.1Å; F242-W403 AromaticContact CG-CH2 3.79Å; F242-W403 HydrophobicContact CG-CH2 3.79Å; F242-W403 AromaticContact CG-CZ2 3.72Å; F242-W403 HydrophobicContact CG-CZ2 3.72Å; F242-W403 HydrophobicContact CZ-CH2 4.48Å; I338-W403 HydrophobicContact CG1-CZ3 4.05Å; F346-W403 HydrophobicContact CE1-CB 4.16Å; F346-W403 HydrophobicContact CE1-CE3 4.08Å; F346-W403 HydrophobicContact CE2-CE3 4.23Å; F346-W403 HydrophobicContact CE2-CZ3 4.43Å; F346-W403 AromaticContact CZ-CE3 3.85Å; F346-W403 HydrophobicContact CZ-CE3 3.85Å; F346-W403 HydrophobicContact CZ-CZ3 4.41Å; I376-W403 HydrophobicContact CD1-CZ3 4.02Å; I376-W403 HydrophobicContact CG2-CH2 4.27Å; I376-W403 HydrophobicContact CG2-CZ3 4.29Å; F380-W403 HydrophobicContact CE2-CH2 4.23Å; F380-W403 HydrophobicContact CZ-CH2 4.24Å; F380-W403 HydrophobicContact CZ-CZ3 4.47Å; A397-W403 HydrophobicContact CB-CE3 4.42Å; F398-W403 HydrophobicContact CB-CD2 4.17Å; F398-W403 HydrophobicContact CB-CG 4.33Å; F398-W403 HydrophobicContact CB-CZ2 4.43Å; S400-W403 WeakPolarHBondContact O-CB 3.41Å; S400-W403 PolarHBondContact O-N 3.24Å; S400-W403 WeakPolarHBondContact OG-CB 3.42Å; S400-W403 PolarHBondContact OG-N 3.48Å; S401-W403 VanDerWaalsContact C-N 3.33Å; S401-W403 PolarHBondContact O-N 2.71Å; W403-K405 PolarHBondContact O-N 3.01Å; W403-C406 WeakPolarHBondContact O-CB 3.41Å; W403-C406 PolarHBondContact O-N 3.11Å; W403-F408 AromaticContact CD2-CD2 3.89Å; W403-F408 HydrophobicContact CD2-CD2 3.89Å; W403-F408 AromaticContact CD2-CE2 3.57Å; W403-F408 HydrophobicContact CD2-CE2 3.57Å; W403-F408 AromaticContact CE2-CD2 3.68Å; W403-F408 AromaticContact CE2-CE2 3.85Å; W403-F408 HydrophobicContact CE3-CD2 4.34Å; W403-F408 AromaticContact CE3-CE2 3.66Å; W403-F408 HydrophobicContact CE3-CE2 3.66Å; W403-F408 HydrophobicContact CE3-CZ 4.34Å; W403-F408 HydrophobicContact CG-CD2 4.29Å; W403-F408 HydrophobicContact CG-CE2 4.08Å; W403-F408 HydrophobicContact CH2-CD2 4.42Å; W403-F408 HydrophobicContact CH2-CE2 4.25Å; W403-F408 AromaticContact CZ2-CD2 3.98Å; W403-F408 HydrophobicContact CZ2-CD2 3.98Å; W403-F408 HydrophobicContact CZ2-CE2 4.19Å; W403-F408 AromaticContact CZ3-CE2 3.99Å; W403-F408 HydrophobicContact CZ3-CE2 3.99Å; W403-F408 HydrophobicContact CZ3-CZ 4.38Å; W403-F408 AromaticContact NE1-CD2 3.96Å; W403-F661 HydrophobicContact CZ2-CZ 4.11Å
404	A	89.7	Confident	89.6	Confident	73 Å²	73	49.3 Å²	49.3	60%	0.603	25%	0.247	S	C	*	.	H	α-helix	trans	-62.3	-41.5	176.1	0	0	0	0	0	112	S401 S402 C406 R407	S401-A404 PolarHBondContact O-N 2.84Å; S402-A404 PolarHBondContact O-N 2.99Å; A404-C406 PolarHBondContact O-N 2.92Å; A404-R407 PolarHBondContact O-N 3.19Å
405	K	89.1	Confident	89.9	Confident	106 Å²	106	47.6 Å²	47.6	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-30.8	175.4	-63.9	178.1	-164.5	170.4	0	113.1	E350 A368 S401 S402 W403 R407	E350-K405 IonicContact OE2-NZ 2.93Å; E350-K405 PolarHBondContact OE2-NZ 2.82Å; A368-K405 HydrophobicContact CB-CB 3.92Å; S401-K405 WeakPolarHBondContact O-CG 3.02Å; S401-K405 PolarHBondContact O-N 3.03Å; S401-K405 VanDerWaalsContact O-N 3.15Å; S402-K405 PolarHBondContact O-N 3.09Å; W403-K405 PolarHBondContact O-N 3.01Å; K405-R407 VanDerWaalsContact C-N 3.3Å; K405-R407 PolarHBondContact O-N 2.91Å
406	C	90.1	Very high	89.8	Confident	5 Å²	5	47 Å²	47	3%	0.034	24%	0.236	C	C	.	.	H	α-helix	trans	-70	-21.1	-177.8	-70.2	0	0	0	0	114.3	N240 A368 L374 S402 W403 A404 F408	N240-C406 PolarHBondContact ND2-O 2.82Å; A368-C406 HydrophobicContact CB-CB 4.47Å; L374-C406 HydrophobicContact CD1-CB 4.28Å; L374-C406 WeakPolarHBondContact CD1-SG 3.25Å; S402-C406 PolarHBondContact O-N 3.3Å; S402-C406 VanDerWaalsContact O-N 3.17Å; S402-C406 PolarHBondContact O-SG 3.49Å; W403-C406 WeakPolarHBondContact O-CB 3.41Å; W403-C406 PolarHBondContact O-N 3.11Å; A404-C406 PolarHBondContact O-N 2.92Å; C406-F408 HydrophobicContact CB-CD2 3.77Å; C406-F408 HydrophobicContact CB-CE1 4.18Å; C406-F408 HydrophobicContact CB-CE2 3.26Å; C406-F408 HydrophobicContact CB-CG 4.4Å; C406-F408 HydrophobicContact CB-CZ 3.48Å; C406-F408 VanDerWaalsContact CB-CZ 3.48Å; C406-F408 PolarHBondContact O-N 2.85Å
407	R	89.8	Confident	89.4	Confident	221 Å²	221	52.6 Å²	52.6	83%	0.834	26%	0.257	S	S	*	.			trans	49.3	51.5	177.4	-55.3	179.4	86.8	147.9	4.7	113.2	A404 K405	A404-R407 PolarHBondContact O-N 3.19Å; K405-R407 VanDerWaalsContact C-N 3.3Å; K405-R407 PolarHBondContact O-N 2.91Å
408	F	91.3	Very high	89	Confident	24 Å²	24	54.1 Å²	54.1	11%	0.105	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58.3	137.7	-179.1	-66.9	-75.4	0	0	0	113.1	N240 F242 F346 L374 I376 W403 C406 V410	N240-F408 HydrophobicContact CB-CD1 3.83Å; N240-F408 HydrophobicContact CB-CE1 4.1Å; N240-F408 WeakPolarHBondContact O-CA 3.31Å; F242-F408 HydrophobicContact CB-CB 3.95Å; F242-F408 HydrophobicContact CB-CD1 4.14Å; F242-F408 HydrophobicContact CB-CG 4.05Å; F346-F408 HydrophobicContact CZ-CE2 4.46Å; F346-F408 HydrophobicContact CZ-CZ 4.27Å; L374-F408 HydrophobicContact CB-CE1 3.75Å; L374-F408 HydrophobicContact CB-CZ 4.3Å; L374-F408 HydrophobicContact CD1-CE1 4.03Å; L374-F408 HydrophobicContact CD1-CZ 3.73Å; I376-F408 HydrophobicContact CD1-CE1 3.7Å; I376-F408 HydrophobicContact CD1-CE2 4.37Å; I376-F408 HydrophobicContact CD1-CZ 3.4Å; I376-F408 VanDerWaalsContact CD1-CZ 3.4Å; I376-F408 HydrophobicContact CG1-CE1 3.96Å; I376-F408 HydrophobicContact CG1-CZ 4.19Å; W403-F408 AromaticContact CD2-CD2 3.89Å; W403-F408 HydrophobicContact CD2-CD2 3.89Å; W403-F408 AromaticContact CD2-CE2 3.57Å; W403-F408 HydrophobicContact CD2-CE2 3.57Å; W403-F408 AromaticContact CE2-CD2 3.68Å; W403-F408 AromaticContact CE2-CE2 3.85Å; W403-F408 HydrophobicContact CE3-CD2 4.34Å; W403-F408 AromaticContact CE3-CE2 3.66Å; W403-F408 HydrophobicContact CE3-CE2 3.66Å; W403-F408 HydrophobicContact CE3-CZ 4.34Å; W403-F408 HydrophobicContact CG-CD2 4.29Å; W403-F408 HydrophobicContact CG-CE2 4.08Å; W403-F408 HydrophobicContact CH2-CD2 4.42Å; W403-F408 HydrophobicContact CH2-CE2 4.25Å; W403-F408 AromaticContact CZ2-CD2 3.98Å; W403-F408 HydrophobicContact CZ2-CD2 3.98Å; W403-F408 HydrophobicContact CZ2-CE2 4.19Å; W403-F408 AromaticContact CZ3-CE2 3.99Å; W403-F408 HydrophobicContact CZ3-CE2 3.99Å; W403-F408 HydrophobicContact CZ3-CZ 4.38Å; W403-F408 AromaticContact NE1-CD2 3.96Å; C406-F408 HydrophobicContact CB-CD2 3.77Å; C406-F408 HydrophobicContact CB-CE1 4.18Å; C406-F408 HydrophobicContact CB-CE2 3.26Å; C406-F408 HydrophobicContact CB-CG 4.4Å; C406-F408 HydrophobicContact CB-CZ 3.48Å; C406-F408 VanDerWaalsContact CB-CZ 3.48Å; C406-F408 PolarHBondContact O-N 2.85Å; F408-V410 HydrophobicContact CB-CG2 4.44Å
409	R	91.2	Very high	88.5	Confident	120 Å²	120	53.2 Å²	53.2	45%	0.453	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121.2	155.5	-65.1	-58.9	-171.1	179.1	2.1	107.9	F234 H239 N240 V241 F242	F234-R409 HydrophobicContact CD1-CG 4.27Å; F234-R409 HydrophobicContact CE1-CG 4.33Å; H239-R409 HydrophobicContact CB-CG 4.21Å; N240-R409 PolarHBondContact O-N 2.79Å; V241-R409 WeakPolarHBondContact CA-O 3.3Å; F242-R409 PolarHBondContact N-O 2.91Å
410	V	91.6	Very high	88	Confident	33 Å²	33	54.3 Å²	54.3	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.7	-175.8	-173.6	0	0	0	0	110.1	F242 T244 F408 I665	F242-V410 HydrophobicContact CB-CG2 4.43Å; F242-V410 HydrophobicContact CD1-CB 4.39Å; F242-V410 HydrophobicContact CD1-CG1 3.64Å; F242-V410 HydrophobicContact CD1-CG2 4.04Å; F242-V410 HydrophobicContact CE1-CG1 4.14Å; F242-V410 WeakPolarHBondContact O-CA 3.31Å; T244-V410 HydrophobicContact CG2-CG1 4.44Å; F408-V410 HydrophobicContact CB-CG2 4.44Å; V410-I665 HydrophobicContact CB-CG2 4.13Å; V410-I665 HydrophobicContact CG1-CD1 3.91Å; V410-I665 HydrophobicContact CG1-CG1 4.12Å; V410-I665 HydrophobicContact CG1-CG2 3.58Å; V410-I665 HydrophobicContact CG2-CG1 4.49Å
411	I	90.5	Very high	87.8	Confident	19 Å²	19	60.2 Å²	60.2	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117.8	-179.7	-55.5	158.1	0	0	0	107.3	T230 V231 F234 V241 F242 C243 T244	T230-I411 HydrophobicContact CG2-CD1 4.34Å; V231-I411 HydrophobicContact CB-CD1 4.1Å; V231-I411 HydrophobicContact CG2-CB 4.1Å; V231-I411 HydrophobicContact CG2-CD1 3.46Å; V231-I411 VanDerWaalsContact CG2-CD1 3.46Å; V231-I411 HydrophobicContact CG2-CG1 4.37Å; V231-I411 HydrophobicContact CG2-CG2 3.88Å; F234-I411 HydrophobicContact CD2-CD1 3.66Å; F234-I411 HydrophobicContact CE2-CD1 4.1Å; V241-I411 HydrophobicContact CG1-CD1 3.92Å; F242-I411 PolarHBondContact O-N 3Å; C243-I411 WeakPolarHBondContact CA-O 3.44Å; T244-I411 PolarHBondContact N-O 3.13Å
412	E	91	Very high	87.7	Confident	31 Å²	31	57.7 Å²	57.7	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.7	175.6	-177.1	163.5	-156.4	0	0	108.7	T244 R433 R666	T244-E412 HydrophobicContact CG2-CB 3.97Å; T244-E412 HydrophobicContact CG2-CG 4.24Å; E412-R433 IonicContact OE1-CZ 2.77Å; E412-R433 IonicContact OE1-NH1 3.08Å; E412-R433 PolarHBondContact OE1-NH1 3.17Å; E412-R433 IonicContact OE1-NH2 3.66Å; E412-R433 PolarHBondContact OE1-NH2 3.31Å; E412-R666 IonicContact OE1-NH2 3.22Å; E412-R666 PolarHBondContact OE1-NH2 2.87Å; E412-R666 VanDerWaalsContact OE1-NH2 3.08Å; E412-R666 IonicContact OE2-CZ 3.29Å; E412-R666 IonicContact OE2-NE 3.64Å; E412-R666 PolarHBondContact OE2-NE 3.22Å; E412-R666 IonicContact OE2-NH2 2.72Å; E412-R666 PolarHBondContact OE2-NH2 2.85Å
413	L	89.4	Confident	87.6	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.1	174.1	-59.8	-180	0	0	0	109.5	E227 Q228 T244 G245 T249 K251 L254	E227-L413 HydrophobicContact CB-CD2 3.81Å; E227-L413 VanDerWaalsContact OE2-CA 3.29Å; E227-L413 WeakPolarHBondContact OE2-CA 3.48Å; Q228-L413 HydrophobicContact CG-CD2 4.35Å; T244-L413 WeakPolarHBondContact O-CB 3.38Å; T244-L413 WeakPolarHBondContact O-CG 3.45Å; T244-L413 PolarHBondContact O-N 3.41Å; G245-L413 VanDerWaalsContact CA-O 3.3Å; G245-L413 WeakPolarHBondContact CA-O 3.4Å; T249-L413 HydrophobicContact CG2-CB 4.31Å; T249-L413 WeakPolarHBondContact CG2-O 3.34Å; K251-L413 HydrophobicContact CG-CD1 3.99Å; L254-L413 HydrophobicContact CD2-CD1 4.2Å
414	T	85.5	Confident	87.5	Confident	101 Å²	101	68.2 Å²	68.2	62%	0.62	34%	0.339	S	S	*	.			trans	-92.6	-40.3	-172.3	61.3	0	0	0	0	112.9	E227	E227-T414 WeakPolarHBondContact OE1-CB 3.35Å; E227-T414 WeakPolarHBondContact OE1-CG2 3.28Å; E227-T414 PolarHBondContact OE1-N 2.95Å; E227-T414 PolarHBondContact OE1-OG1 3.15Å; E227-T414 PolarHBondContact OE2-N 2.89Å
415	H	84.2	Confident	87.5	Confident	51 Å²	51	64.9 Å²	64.9	24%	0.236	31%	0.311	C	S	.	.			trans	-80.2	121.1	-172.1	-174.4	91.3	0	0	0	113.4	A224 T249 W417	A224-H415 HydrophobicContact CB-CB 3.63Å; T249-H415 WeakPolarHBondContact CA-O 3.38Å; H415-W417 AromaticContact CD2-CD1 3.92Å; H415-W417 AromaticContact CD2-CD2 3.72Å; H415-W417 AromaticContact CD2-CE2 3.62Å; H415-W417 AromaticContact CD2-CG 3.93Å; H415-W417 AromaticContact CD2-NE1 3.73Å; H415-W417 PolarHBondContact O-N 3.22Å
416	S	84.9	Confident	87.5	Confident	22 Å²	22	61.3 Å²	61.3	15%	0.154	30%	0.302	C	S	.	.			trans	-88.4	104.3	173.7	-173.2	0	0	0	0	112.9	A247 R418 Q419 S420	A247-S416 PolarHBondContact O-OG 3.04Å; S416-R418 PolarHBondContact O-N 3.47Å; S416-R418 PolarHBondContact OG-N 3.25Å; S416-Q419 PolarHBondContact OG-OE1 3.42Å; S416-S420 PolarHBondContact O-N 2.99Å
417	W	83.9	Confident	87.5	Confident	121 Å²	121	65.8 Å²	65.8	46%	0.458	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.3	173.9	-61.6	90.9	0	0	0	114.2	A224 G248 H415	A224-W417 HydrophobicContact CB-CZ2 4Å; G248-W417 PolarHBondContact O-N 2.96Å; G248-W417 VanDerWaalsContact O-N 3.11Å; H415-W417 AromaticContact CD2-CD1 3.92Å; H415-W417 AromaticContact CD2-CD2 3.72Å; H415-W417 AromaticContact CD2-CE2 3.62Å; H415-W417 AromaticContact CD2-CG 3.93Å; H415-W417 AromaticContact CD2-NE1 3.73Å; H415-W417 PolarHBondContact O-N 3.22Å
418	R	83.4	Confident	87.6	Confident	32 Å²	32	55.4 Å²	55.4	12%	0.121	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-36.4	179.4	-177.7	-176	-72.6	147.3	1.2	112.3	G248 S416 G610 T612 S634 R637	G248-R418 PolarHBondContact O-N 3.41Å; S416-R418 PolarHBondContact O-N 3.47Å; S416-R418 PolarHBondContact OG-N 3.25Å; R418-G610 PolarHBondContact NH2-O 3.07Å; R418-T612 HydrophobicContact CG-CG2 3.86Å; R418-T612 PolarHBondContact NE-OG1 3.41Å; R418-S634 VanDerWaalsContact CD-O 3.31Å; R418-S634 WeakPolarHBondContact CD-O 3.42Å; R418-S634 PolarHBondContact NH1-O 2.86Å; R418-R637 HydrophobicContact CG-CG 4.35Å; R418-R637 WeakPolarHBondContact O-CG 3.33Å
419	Q	84.3	Confident	87.7	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.019	28%	0.28	C	S	.	.	S	Bend	trans	-107.6	27.3	-179	-66.5	84.9	18.8	0	0	112	S416 N421 D422 L425 A426 L429 S634 C636	S416-Q419 PolarHBondContact OG-OE1 3.42Å; Q419-N421 PolarHBondContact O-N 3.35Å; Q419-D422 CarbonylContact O-C 3.51Å; Q419-D422 PolarHBondContact O-N 3.06Å; Q419-L425 HydrophobicContact CG-CD2 3.71Å; Q419-L425 HydrophobicContact CG-CG 4.06Å; Q419-A426 HydrophobicContact CB-CB 4.18Å; Q419-L429 HydrophobicContact CG-CD1 3.96Å; Q419-S634 PolarHBondContact NE2-O 3.4Å; Q419-C636 PolarHBondContact NE2-O 2.82Å
420	S	80.7	Confident	87.6	Confident	67 Å²	67	51.5 Å²	51.5	47%	0.469	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.7	178.4	53.6	0	0	0	0	113.4	S416	S416-S420 PolarHBondContact O-N 2.99Å
421	N	83.4	Confident	87.6	Confident	132 Å²	132	51 Å²	51	71%	0.706	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.5	-176.1	-57.9	17	0	0	0	113.1	Q419	Q419-N421 PolarHBondContact O-N 3.35Å
422	D	87.2	Confident	87.7	Confident	25 Å²	25	50.3 Å²	50.3	13%	0.134	27%	0.27	C	S	.	.			trans	-139.5	79.8	-179.6	-170.3	-14.6	0	0	0	110.4	Q419 K424 L425 A426 L639	Q419-D422 CarbonylContact O-C 3.51Å; Q419-D422 PolarHBondContact O-N 3.06Å; D422-K424 PolarHBondContact O-N 2.97Å; D422-K424 WeakPolarHBondContact OD1-CB 3.36Å; D422-K424 PolarHBondContact OD1-N 2.84Å; D422-L425 HydrophobicContact CB-CB 3.96Å; D422-L425 VanDerWaalsContact CG-CB 3.4Å; D422-L425 PolarHBondContact O-N 3.04Å; D422-L425 VanDerWaalsContact O-N 3.15Å; D422-L425 PolarHBondContact OD1-N 2.96Å; D422-L425 WeakPolarHBondContact OD2-CB 3.32Å; D422-A426 PolarHBondContact O-N 3.48Å; D422-L639 WeakPolarHBondContact OD2-CB 3.41Å; D422-L639 PolarHBondContact OD2-N 3.02Å
423	P	87.3	Confident	87.8	Confident	97 Å²	97	49.6 Å²	49.6	63%	0.63	27%	0.266	S	S	*	.	H	α-helix	trans	-63.8	-22.6	178.6	24.9	-33.9	0	0	0	112.8	A426 H427	P423-A426 PolarHBondContact O-N 3.31Å; P423-H427 PolarHBondContact O-N 2.7Å
424	K	89.3	Confident	87.9	Confident	145 Å²	145	51.8 Å²	51.8	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-69.8	-40.5	175	-64.5	179.7	-178.8	177.3	0	110.8	D422 L428	D422-K424 PolarHBondContact O-N 2.97Å; D422-K424 WeakPolarHBondContact OD1-CB 3.36Å; D422-K424 PolarHBondContact OD1-N 2.84Å; K424-L428 WeakPolarHBondContact O-CB 3.43Å; K424-L428 PolarHBondContact O-N 3.13Å; K424-L428 VanDerWaalsContact O-N 3.1Å
425	L	89.8	Confident	88.1	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-41.3	170.1	179.7	62.2	0	0	0	111.6	Q419 D422 H427 L428 L429 L639	Q419-L425 HydrophobicContact CG-CD2 3.71Å; Q419-L425 HydrophobicContact CG-CG 4.06Å; D422-L425 HydrophobicContact CB-CB 3.96Å; D422-L425 VanDerWaalsContact CG-CB 3.4Å; D422-L425 PolarHBondContact O-N 3.04Å; D422-L425 VanDerWaalsContact O-N 3.15Å; D422-L425 PolarHBondContact OD1-N 2.96Å; D422-L425 WeakPolarHBondContact OD2-CB 3.32Å; L425-H427 VanDerWaalsContact C-N 3.33Å; L425-H427 PolarHBondContact O-N 3.29Å; L425-L428 HydrophobicContact CD1-CD2 4.27Å; L425-L428 WeakPolarHBondContact O-CB 3.43Å; L425-L428 PolarHBondContact O-N 2.66Å; L425-L429 HydrophobicContact CD1-CD1 4.09Å; L425-L429 HydrophobicContact CD1-CD2 4.44Å; L425-L429 HydrophobicContact CD1-CG 3.93Å; L425-L429 HydrophobicContact CD2-CD1 4.39Å; L425-L429 HydrophobicContact CG-CD1 3.87Å; L425-L429 HydrophobicContact CG-CG 4.16Å; L425-L429 WeakPolarHBondContact O-CB 3.4Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.37Å; L425-L429 PolarHBondContact O-N 2.86Å; L425-L639 HydrophobicContact CB-CB 4.27Å; L425-L639 HydrophobicContact CD1-CB 4.33Å; L425-L639 HydrophobicContact CD1-CD1 4.16Å
426	A	88.7	Confident	88.4	Confident	32 Å²	32	50.9 Å²	50.9	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-58	-45.1	178.1	0	0	0	0	0	111.8	Q419 D422 P423 L429 S430	Q419-A426 HydrophobicContact CB-CB 4.18Å; D422-A426 PolarHBondContact O-N 3.48Å; P423-A426 PolarHBondContact O-N 3.31Å; A426-L429 PolarHBondContact O-N 3.31Å; A426-S430 PolarHBondContact O-N 3.06Å
427	H	90.1	Very high	88.6	Confident	99 Å²	99	51.5 Å²	51.5	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-40.1	175.4	-177.1	60.6	0	0	0	113.1	P423 L425 L429 S430 V431 W440	P423-H427 PolarHBondContact O-N 2.7Å; L425-H427 VanDerWaalsContact C-N 3.33Å; L425-H427 PolarHBondContact O-N 3.29Å; H427-L429 VanDerWaalsContact C-N 3.31Å; H427-L429 PolarHBondContact O-N 3.38Å; H427-S430 WeakPolarHBondContact CA-OG 3.47Å; H427-S430 PolarHBondContact O-N 2.9Å; H427-S430 PolarHBondContact O-OG 3.13Å; H427-V431 PolarHBondContact O-N 3.1Å; H427-W440 AromaticContact CD2-CH2 3.39Å; H427-W440 WeakPolarHBondContact CD2-CH2 3.37Å; H427-W440 AromaticContact CD2-CZ2 3.77Å; H427-W440 AromaticContact NE2-CH2 3.64Å; H427-W440 AromaticContact NE2-CZ2 3.48Å; H427-W440 WeakPolarHBondContact NE2-CZ2 3.09Å
428	L	92.1	Very high	88.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-46.2	172.6	179.8	62.8	0	0	0	110.9	K424 L425 S430 V431 I432 W440 A441 R444 L445 L639	K424-L428 WeakPolarHBondContact O-CB 3.43Å; K424-L428 PolarHBondContact O-N 3.13Å; K424-L428 VanDerWaalsContact O-N 3.1Å; L425-L428 HydrophobicContact CD1-CD2 4.27Å; L425-L428 WeakPolarHBondContact O-CB 3.43Å; L425-L428 PolarHBondContact O-N 2.66Å; L428-S430 PolarHBondContact O-N 2.81Å; L428-V431 PolarHBondContact O-N 3.26Å; L428-I432 HydrophobicContact CD1-CD1 3.75Å; L428-I432 HydrophobicContact CD1-CG1 4.32Å; L428-I432 HydrophobicContact CG-CD1 3.74Å; L428-I432 WeakPolarHBondContact O-CB 3.26Å; L428-I432 VanDerWaalsContact O-CG1 3.24Å; L428-I432 WeakPolarHBondContact O-CG1 3.23Å; L428-I432 PolarHBondContact O-N 2.81Å; L428-W440 HydrophobicContact CB-CZ3 4.3Å; L428-W440 HydrophobicContact CD1-CH2 4.34Å; L428-W440 HydrophobicContact CD1-CZ3 3.82Å; L428-A441 HydrophobicContact CD1-CB 3.44Å; L428-A441 VanDerWaalsContact CD1-CB 3.44Å; L428-R444 HydrophobicContact CD2-CB 4.37Å; L428-L445 HydrophobicContact CD2-CD2 4.15Å; L428-L445 HydrophobicContact CD2-CG 4.5Å; L428-L639 HydrophobicContact CD2-CD1 4.11Å
429	L	92.4	Very high	89.3	Confident	7 Å²	7	52 Å²	52	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-32.3	178.8	-70.9	175.3	0	0	0	113.2	Q419 L425 A426 H427 R433 Y630 L633	Q419-L429 HydrophobicContact CG-CD1 3.96Å; L425-L429 HydrophobicContact CD1-CD1 4.09Å; L425-L429 HydrophobicContact CD1-CD2 4.44Å; L425-L429 HydrophobicContact CD1-CG 3.93Å; L425-L429 HydrophobicContact CD2-CD1 4.39Å; L425-L429 HydrophobicContact CG-CD1 3.87Å; L425-L429 HydrophobicContact CG-CG 4.16Å; L425-L429 WeakPolarHBondContact O-CB 3.4Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.37Å; L425-L429 PolarHBondContact O-N 2.86Å; A426-L429 PolarHBondContact O-N 3.31Å; H427-L429 VanDerWaalsContact C-N 3.31Å; H427-L429 PolarHBondContact O-N 3.38Å; L429-R433 VanDerWaalsContact O-CB 3.26Å; L429-R433 WeakPolarHBondContact O-CB 3.1Å; L429-R433 PolarHBondContact O-N 3.27Å; L429-Y630 HydrophobicContact CB-CE2 4.31Å; L429-Y630 HydrophobicContact CD2-CD2 4.48Å; L429-Y630 HydrophobicContact CD2-CE2 4.43Å; L429-Y630 WeakPolarHBondContact O-CE2 3.21Å; L429-L633 HydrophobicContact CD2-CB 3.77Å
430	S	90.3	Very high	89.8	Confident	56 Å²	56	56.2 Å²	56.2	39%	0.392	30%	0.304	S	S	.	.	H	α-helix	trans	-67.7	-35.7	175.6	55.7	0	0	0	0	112.7	A426 H427 L428 R433	A426-S430 PolarHBondContact O-N 3.06Å; H427-S430 WeakPolarHBondContact CA-OG 3.47Å; H427-S430 PolarHBondContact O-N 2.9Å; H427-S430 PolarHBondContact O-OG 3.13Å; L428-S430 PolarHBondContact O-N 2.81Å; S430-R433 WeakPolarHBondContact O-CB 3.42Å
431	V	92.1	Very high	90.3	Very high	21 Å²	21	53 Å²	53	13%	0.127	28%	0.281	C	S	.	.	H	α-helix	trans	-75.5	-43.7	178	177	0	0	0	0	110.9	H427 L428 R433 E434 Q436 P438 W440	H427-V431 PolarHBondContact O-N 3.1Å; L428-V431 PolarHBondContact O-N 3.26Å; V431-R433 VanDerWaalsContact C-N 3.29Å; V431-R433 PolarHBondContact O-N 3.11Å; V431-E434 PolarHBondContact O-N 2.91Å; V431-E434 VanDerWaalsContact O-N 3.16Å; V431-Q436 HydrophobicContact CG1-CB 3.66Å; V431-Q436 PolarHBondContact O-N 2.84Å; V431-P438 HydrophobicContact CG1-CG 4.02Å; V431-W440 HydrophobicContact CG2-CH2 4.27Å; V431-W440 HydrophobicContact CG2-CZ2 4.03Å
432	I	92.5	Very high	90.7	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-33.9	175.6	-68.9	176.9	0	0	0	112.2	L428 E434 G435 L445 Y630 L633 I652	L428-I432 HydrophobicContact CD1-CD1 3.75Å; L428-I432 HydrophobicContact CD1-CG1 4.32Å; L428-I432 HydrophobicContact CG-CD1 3.74Å; L428-I432 WeakPolarHBondContact O-CB 3.26Å; L428-I432 VanDerWaalsContact O-CG1 3.24Å; L428-I432 WeakPolarHBondContact O-CG1 3.23Å; L428-I432 PolarHBondContact O-N 2.81Å; I432-E434 PolarHBondContact O-N 2.74Å; I432-G435 PolarHBondContact O-N 3.41Å; I432-L445 HydrophobicContact CD1-CD1 3.89Å; I432-L445 HydrophobicContact CD1-CD2 4.49Å; I432-Y630 HydrophobicContact CG2-CD2 4.19Å; I432-L633 HydrophobicContact CD1-CD1 3.9Å; I432-L633 HydrophobicContact CG2-CD1 3.81Å; I432-I652 HydrophobicContact CB-CG2 4.4Å; I432-I652 HydrophobicContact CD1-CD1 4.03Å; I432-I652 HydrophobicContact CG1-CD1 4.09Å; I432-I652 HydrophobicContact CG1-CG2 4.49Å; I432-I652 HydrophobicContact CG2-CD1 4.21Å; I432-I652 HydrophobicContact CG2-CG1 4.4Å; I432-I652 HydrophobicContact CG2-CG2 3.9Å
433	R	92.9	Very high	90.9	Very high	17 Å²	17	51 Å²	51	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-40	174.7	-179.2	177.6	175	-121.1	-1.4	111.7	D379 F381 E412 L429 S430 V431 G435 Y630	D379-R433 IonicContact OD1-CZ 3.85Å; D379-R433 IonicContact OD1-NE 3.67Å; D379-R433 PolarHBondContact OD1-NE 3.04Å; D379-R433 IonicContact OD1-NH2 3.2Å; D379-R433 PolarHBondContact OD1-NH2 2.77Å; D379-R433 IonicContact OD2-NE 2.74Å; D379-R433 PolarHBondContact OD2-NE 3.08Å; F381-R433 HydrophobicContact CB-CG 3.53Å; F381-R433 WeakPolarHBondContact CB-O 3.38Å; F381-R433 HydrophobicContact CD1-CG 4.5Å; F381-R433 WeakPolarHBondContact CD1-O 3.22Å; F381-R433 HydrophobicContact CD2-CG 3.8Å; F381-R433 HydrophobicContact CG-CG 3.73Å; F381-R433 WeakPolarHBondContact CG-O 3.37Å; E412-R433 IonicContact OE1-CZ 2.77Å; E412-R433 IonicContact OE1-NH1 3.08Å; E412-R433 PolarHBondContact OE1-NH1 3.17Å; E412-R433 IonicContact OE1-NH2 3.66Å; E412-R433 PolarHBondContact OE1-NH2 3.31Å; L429-R433 VanDerWaalsContact O-CB 3.26Å; L429-R433 WeakPolarHBondContact O-CB 3.1Å; L429-R433 PolarHBondContact O-N 3.27Å; S430-R433 WeakPolarHBondContact O-CB 3.42Å; V431-R433 VanDerWaalsContact C-N 3.29Å; V431-R433 PolarHBondContact O-N 3.11Å; R433-G435 PolarHBondContact O-N 3.25Å; R433-Y630 HydrophobicContact CB-CD1 4.47Å; R433-Y630 HydrophobicContact CB-CD2 3.98Å; R433-Y630 HydrophobicContact CB-CE1 4.15Å; R433-Y630 HydrophobicContact CB-CE2 3.63Å; R433-Y630 HydrophobicContact CB-CG 4.39Å; R433-Y630 HydrophobicContact CG-CD1 4.34Å; R433-Y630 HydrophobicContact CG-CE1 3.82Å; R433-Y630 HydrophobicContact CG-CE2 4.19Å
434	E	91.3	Very high	91	Very high	50 Å²	50	50.3 Å²	50.3	23%	0.234	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	7.7	-178.9	-57.2	-167.4	176.7	0	0	113	F381 V431 I432 Q436 R666	F381-E434 HydrophobicContact CE1-CG 4.45Å; F381-E434 HydrophobicContact CZ-CG 4.11Å; V431-E434 PolarHBondContact O-N 2.91Å; V431-E434 VanDerWaalsContact O-N 3.16Å; I432-E434 PolarHBondContact O-N 2.74Å; E434-Q436 VanDerWaalsContact C-N 3.29Å; E434-R666 IonicContact OE1-CZ 2.76Å; E434-R666 IonicContact OE1-NH1 3.37Å; E434-R666 PolarHBondContact OE1-NH1 2.97Å; E434-R666 IonicContact OE1-NH2 3.36Å; E434-R666 PolarHBondContact OE1-NH2 2.84Å; E434-R666 IonicContact OE2-NH1 2.74Å
435	G	89.2	Confident	91.1	Very high	23 Å²	23	43.4 Å²	43.4	24%	0.237	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	14.1	179.3	0	0	0	0	0	113.9	I432 R433	I432-G435 PolarHBondContact O-N 3.41Å; R433-G435 PolarHBondContact O-N 3.25Å
436	Q	89.8	Confident	91.1	Very high	109 Å²	109	48.7 Å²	48.7	51%	0.509	24%	0.242	S	C	.	.			trans	-94.3	140.9	178.4	-62.9	179.2	9.4	0	0	110.5	V431 E434	V431-Q436 HydrophobicContact CG1-CB 3.66Å; V431-Q436 PolarHBondContact O-N 2.84Å; E434-Q436 VanDerWaalsContact C-N 3.29Å
437	C	89.1	Confident	91	Very high	36 Å²	36	50.7 Å²	50.7	24%	0.243	25%	0.254	C	S	.	.			trans	-137.8	77.2	172.2	-152.3	0	0	0	0	110	V442 I652	C437-V442 HydrophobicContact CB-CG2 4.24Å; C437-V442 VanDerWaalsContact SG-CG2 3.51Å; C437-I652 HydrophobicContact CB-CD1 4.41Å
438	P	91.9	Very high	91	Very high	45 Å²	45	48.7 Å²	48.7	29%	0.292	24%	0.242	S	C	.	.			trans	-65.2	160.2	173.9	29.3	-36.6	0	0	0	111	V431 W440 A441 V442	V431-P438 HydrophobicContact CG1-CG 4.02Å; P438-W440 VanDerWaalsContact C-N 3.26Å; P438-W440 HydrophobicContact CG-CD2 4.33Å; P438-W440 HydrophobicContact CG-CG 4.44Å; P438-W440 HydrophobicContact CG-CZ2 4.01Å; P438-W440 VanDerWaalsContact CG-NE1 3.3Å; P438-W440 PolarHBondContact O-N 2.99Å; P438-W440 VanDerWaalsContact O-N 3.09Å; P438-A441 HydrophobicContact CG-CB 3.96Å; P438-A441 WeakPolarHBondContact O-CA 3.35Å; P438-A441 VanDerWaalsContact O-CB 3.27Å; P438-A441 WeakPolarHBondContact O-CB 3.44Å; P438-A441 PolarHBondContact O-N 2.65Å; P438-V442 PolarHBondContact O-N 3.04Å
439	E	91.8	Very high	90.6	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-56.8	-35.8	-170.4	-162	59.7	-150.1	0	0	113.8	A441 V442 E443 R446	E439-A441 VanDerWaalsContact C-N 3.26Å; E439-A441 PolarHBondContact O-N 3.49Å; E439-V442 WeakPolarHBondContact O-CB 3.48Å; E439-V442 PolarHBondContact O-N 3.44Å; E439-E443 WeakPolarHBondContact O-CB 3.04Å; E439-E443 PolarHBondContact O-N 3.02Å; E439-R446 IonicContact OE1-CZ 3Å; E439-R446 IonicContact OE1-NH1 2.68Å; E439-R446 PolarHBondContact OE1-NH1 2.97Å; E439-R446 IonicContact OE1-NH2 3.96Å
440	W	93.3	Very high	90.1	Very high	91 Å²	91	54 Å²	54	35%	0.345	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-29.7	174.8	70	-102.8	0	0	0	113.4	H427 L428 V431 P438 R444	H427-W440 AromaticContact CD2-CH2 3.39Å; H427-W440 WeakPolarHBondContact CD2-CH2 3.37Å; H427-W440 AromaticContact CD2-CZ2 3.77Å; H427-W440 AromaticContact NE2-CH2 3.64Å; H427-W440 AromaticContact NE2-CZ2 3.48Å; H427-W440 WeakPolarHBondContact NE2-CZ2 3.09Å; L428-W440 HydrophobicContact CB-CZ3 4.3Å; L428-W440 HydrophobicContact CD1-CH2 4.34Å; L428-W440 HydrophobicContact CD1-CZ3 3.82Å; V431-W440 HydrophobicContact CG2-CH2 4.27Å; V431-W440 HydrophobicContact CG2-CZ2 4.03Å; P438-W440 VanDerWaalsContact C-N 3.26Å; P438-W440 HydrophobicContact CG-CD2 4.33Å; P438-W440 HydrophobicContact CG-CG 4.44Å; P438-W440 HydrophobicContact CG-CZ2 4.01Å; P438-W440 VanDerWaalsContact CG-NE1 3.3Å; P438-W440 PolarHBondContact O-N 2.99Å; P438-W440 VanDerWaalsContact O-N 3.09Å; W440-R444 VanDerWaalsContact O-CG 3.31Å; W440-R444 WeakPolarHBondContact O-CG 3.42Å; W440-R444 PolarHBondContact O-N 2.97Å
441	A	91.5	Very high	88.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-77.8	-41.5	176.1	0	0	0	0	0	110.1	L428 P438 E439 E443 R444 L445	L428-A441 HydrophobicContact CD1-CB 3.44Å; L428-A441 VanDerWaalsContact CD1-CB 3.44Å; P438-A441 HydrophobicContact CG-CB 3.96Å; P438-A441 WeakPolarHBondContact O-CA 3.35Å; P438-A441 VanDerWaalsContact O-CB 3.27Å; P438-A441 WeakPolarHBondContact O-CB 3.44Å; P438-A441 PolarHBondContact O-N 2.65Å; E439-A441 VanDerWaalsContact C-N 3.26Å; E439-A441 PolarHBondContact O-N 3.49Å; A441-E443 VanDerWaalsContact C-N 3.35Å; A441-R444 PolarHBondContact O-N 3.38Å; A441-L445 VanDerWaalsContact O-CG 3.31Å; A441-L445 WeakPolarHBondContact O-CG 3.45Å; A441-L445 PolarHBondContact O-N 2.95Å
442	V	91.8	Very high	87.3	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-56.9	-49.1	172.1	179.2	0	0	0	0	110.2	C437 P438 E439 R444 L445 R446 W647 P649	C437-V442 HydrophobicContact CB-CG2 4.24Å; C437-V442 VanDerWaalsContact SG-CG2 3.51Å; P438-V442 PolarHBondContact O-N 3.04Å; E439-V442 WeakPolarHBondContact O-CB 3.48Å; E439-V442 PolarHBondContact O-N 3.44Å; V442-R444 PolarHBondContact O-N 3.41Å; V442-L445 CarbonylContact O-C 3.54Å; V442-L445 PolarHBondContact O-N 3.42Å; V442-R446 HydrophobicContact CG1-CG 4.16Å; V442-R446 WeakPolarHBondContact O-CG 3.46Å; V442-R446 PolarHBondContact O-N 3.34Å; V442-W647 HydrophobicContact CB-CH2 4.38Å; V442-W647 HydrophobicContact CG1-CH2 3.99Å; V442-W647 HydrophobicContact CG1-CZ3 4.13Å; V442-W647 HydrophobicContact CG2-CH2 4.44Å; V442-P649 HydrophobicContact CG1-CG 4.11Å; V442-P649 HydrophobicContact CG2-CB 4.44Å; V442-P649 HydrophobicContact CG2-CG 4.38Å
443	E	91.2	Very high	85.2	Confident	110 Å²	110	67.2 Å²	67.2	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-42.1	-179.7	-172.3	55.8	-155.9	0	0	112.5	E439 A441 L445 R446 S447	E439-E443 WeakPolarHBondContact O-CB 3.04Å; E439-E443 PolarHBondContact O-N 3.02Å; A441-E443 VanDerWaalsContact C-N 3.35Å; E443-L445 VanDerWaalsContact C-N 3.25Å; E443-L445 PolarHBondContact O-N 3.21Å; E443-R446 PolarHBondContact O-N 3.07Å; E443-R446 IonicContact OE2-NH1 3.47Å; E443-S447 PolarHBondContact O-N 3.03Å
444	R	90.7	Very high	82.9	Confident	83 Å²	83	70.7 Å²	70.7	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-64.1	-27.7	174.1	-75.9	-179.8	-168.7	171.8	10.4	113.5	L428 W440 A441 V442 S447 L639	L428-R444 HydrophobicContact CD2-CB 4.37Å; W440-R444 VanDerWaalsContact O-CG 3.31Å; W440-R444 WeakPolarHBondContact O-CG 3.42Å; W440-R444 PolarHBondContact O-N 2.97Å; A441-R444 PolarHBondContact O-N 3.38Å; V442-R444 PolarHBondContact O-N 3.41Å; R444-S447 PolarHBondContact O-OG 2.96Å; R444-L639 HydrophobicContact CB-CD2 4.43Å
445	L	89.9	Confident	80.4	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-84	-41.2	175.1	-67.5	171.9	0	0	0	111.4	L428 I432 A441 V442 E443 S447 R448 L449 L633 L644 W647 I652	L428-L445 HydrophobicContact CD2-CD2 4.15Å; L428-L445 HydrophobicContact CD2-CG 4.5Å; I432-L445 HydrophobicContact CD1-CD1 3.89Å; I432-L445 HydrophobicContact CD1-CD2 4.49Å; A441-L445 VanDerWaalsContact O-CG 3.31Å; A441-L445 WeakPolarHBondContact O-CG 3.45Å; A441-L445 PolarHBondContact O-N 2.95Å; V442-L445 CarbonylContact O-C 3.54Å; V442-L445 PolarHBondContact O-N 3.42Å; E443-L445 VanDerWaalsContact C-N 3.25Å; E443-L445 PolarHBondContact O-N 3.21Å; L445-S447 VanDerWaalsContact C-N 3.28Å; L445-S447 PolarHBondContact O-N 3.01Å; L445-R448 CarbonylContact O-C 3.1Å; L445-R448 WeakPolarHBondContact O-CA 3.46Å; L445-R448 WeakPolarHBondContact O-CB 3.23Å; L445-R448 PolarHBondContact O-N 3.29Å; L445-L449 PolarHBondContact O-N 3Å; L445-L633 HydrophobicContact CD2-CD2 3.86Å; L445-L644 HydrophobicContact CB-CD1 3.81Å; L445-L644 HydrophobicContact CD2-CD1 4.01Å; L445-L644 HydrophobicContact CG-CD1 4.45Å; L445-L644 WeakPolarHBondContact O-CD1 3.26Å; L445-W647 HydrophobicContact CB-CD2 4.45Å; L445-W647 HydrophobicContact CB-CE3 4.2Å; L445-W647 HydrophobicContact CB-CH2 3.83Å; L445-W647 HydrophobicContact CB-CZ2 4.1Å; L445-W647 HydrophobicContact CB-CZ3 3.88Å; L445-W647 HydrophobicContact CD1-CH2 3.8Å; L445-W647 HydrophobicContact CD1-CZ2 3.39Å; L445-W647 HydrophobicContact CG-CH2 4.49Å; L445-W647 HydrophobicContact CG-CZ2 4.4Å; L445-I652 HydrophobicContact CD1-CD1 3.71Å
446	R	89.7	Confident	78.5	Confident	113 Å²	113	76.8 Å²	76.8	43%	0.426	39%	0.385	S	S	.	.	H	α-helix	trans	-56.8	-39.6	172.1	-73.6	-175.2	-176	131.2	1.4	111.8	E439 V442 E443 R448 L449 W647	E439-R446 IonicContact OE1-CZ 3Å; E439-R446 IonicContact OE1-NH1 2.68Å; E439-R446 PolarHBondContact OE1-NH1 2.97Å; E439-R446 IonicContact OE1-NH2 3.96Å; V442-R446 HydrophobicContact CG1-CG 4.16Å; V442-R446 WeakPolarHBondContact O-CG 3.46Å; V442-R446 PolarHBondContact O-N 3.34Å; E443-R446 PolarHBondContact O-N 3.07Å; E443-R446 IonicContact OE2-NH1 3.47Å; R446-R448 PolarHBondContact O-N 2.91Å; R446-L449 VanDerWaalsContact O-CB 3.29Å; R446-L449 WeakPolarHBondContact O-CB 3.32Å; R446-L449 PolarHBondContact O-N 3.33Å; R446-W647 HydrophobicContact CG-CZ3 4.15Å
447	S	88.4	Confident	76	Confident	73 Å²	73	80.5 Å²	80.5	51%	0.51	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-4.5	173.7	75.9	0	0	0	0	115	E443 R444 L445	E443-S447 PolarHBondContact O-N 3.03Å; R444-S447 PolarHBondContact O-OG 2.96Å; L445-S447 VanDerWaalsContact C-N 3.28Å; L445-S447 PolarHBondContact O-N 3.01Å
448	R	88.4	Confident	73.8	Confident	57 Å²	57	86 Å²	86	22%	0.215	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	0.8	173.8	-54.5	-57.8	165.9	173.7	7.3	113.5	L445 R446 V450 L639 N640 L642 L644	L445-R448 CarbonylContact O-C 3.1Å; L445-R448 WeakPolarHBondContact O-CA 3.46Å; L445-R448 WeakPolarHBondContact O-CB 3.23Å; L445-R448 PolarHBondContact O-N 3.29Å; R446-R448 PolarHBondContact O-N 2.91Å; R448-V450 PolarHBondContact O-N 2.78Å; R448-L639 HydrophobicContact CG-CD1 4.05Å; R448-L639 HydrophobicContact CG-CG 4.38Å; R448-N640 PolarHBondContact NH1-OD1 3.29Å; R448-N640 PolarHBondContact NH2-OD1 3.1Å; R448-L642 HydrophobicContact CB-CD2 4.45Å; R448-L642 WeakPolarHBondContact CB-O 3.49Å; R448-L644 HydrophobicContact CB-CG 4.34Å; R448-L644 PolarHBondContact O-N 2.94Å
449	L	84.9	Confident	71.7	Confident	87 Å²	87	92.7 Å²	92.7	46%	0.455	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-67.1	127.9	172.8	-170.3	70.4	0	0	0	109.1	L445 R446 L644 W647	L445-L449 PolarHBondContact O-N 3Å; R446-L449 VanDerWaalsContact O-CB 3.29Å; R446-L449 WeakPolarHBondContact O-CB 3.32Å; R446-L449 PolarHBondContact O-N 3.33Å; L449-L644 HydrophobicContact CD1-CB 4.33Å; L449-W647 HydrophobicContact CD1-CB 4.24Å
450	V	81.2	Confident	70	Confident	34 Å²	34	90 Å²	90	21%	0.206	44%	0.444	C	S	.	.			trans	-124.6	124.7	178.8	167.6	0	0	0	0	107.7	R448 V454 Y643 L644 L645	R448-V450 PolarHBondContact O-N 2.78Å; V450-V454 HydrophobicContact CG1-CB 4.16Å; V450-V454 HydrophobicContact CG1-CG2 3.73Å; V450-Y643 HydrophobicContact CG2-CD1 3.67Å; V450-Y643 HydrophobicContact CG2-CE1 4.48Å; V450-Y643 HydrophobicContact CG2-CG 4.49Å; V450-L644 PolarHBondContact N-O 2.95Å; V450-L645 WeakPolarHBondContact O-CD2 3.2Å
451	S	65.9	Low	68.3	Low	88 Å²	88	91.4 Å²	91.4	62%	0.615	45%	0.453	S	S	*	.			trans	-62.5	141.3	165	179.1	0	0	0	0	108.7	L453 V454	S451-L453 PolarHBondContact O-N 3.37Å; S451-V454 PolarHBondContact O-N 2.87Å
452	E	57.9	Low	66.9	Low	118 Å²	118	93 Å²	93	55%	0.551	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-10.3	-174	-66.7	-154.5	109.9	0	0	114.8	R466 L645	E452-R466 IonicContact OE1-CZ 2.67Å; E452-R466 IonicContact OE1-NH1 3.56Å; E452-R466 PolarHBondContact OE1-NH1 3.36Å; E452-R466 IonicContact OE1-NH2 3.34Å; E452-L645 HydrophobicContact CG-CD2 4.35Å
453	L	48.7	Very low	66.1	Low	154 Å²	154	97.2 Å²	97.2	81%	0.806	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	24.8	-171.8	-70.3	163.4	0	0	0	114.8	S451 D455	S451-L453 PolarHBondContact O-N 3.37Å; L453-D455 PolarHBondContact O-N 3.5Å
454	V	44.7	Very low	65.8	Low	90 Å²	90	92.2 Å²	92.2	55%	0.545	46%	0.461	S	S	.	.			trans	-70.6	88.4	165.2	-179.8	0	0	0	0	109.3	V450 S451 R456	V450-V454 HydrophobicContact CG1-CB 4.16Å; V450-V454 HydrophobicContact CG1-CG2 3.73Å; S451-V454 PolarHBondContact O-N 2.87Å; V454-R456 VanDerWaalsContact C-N 3.31Å; V454-R456 HydrophobicContact CG1-CG 4.32Å; V454-R456 WeakPolarHBondContact O-CG 3.22Å; V454-R456 PolarHBondContact O-N 3.22Å
455	D	38.4	Very low	65.6	Low	126 Å²	126	88.4 Å²	88.4	67%	0.674	45%	0.447	S	S	*	.			trans	-53.7	91.7	164.8	-173.2	28.8	0	0	0	108.9	L453 K457	L453-D455 PolarHBondContact O-N 3.5Å; D455-K457 PolarHBondContact O-N 3.48Å
456	R	48.5	Very low	65.7	Low	74 Å²	74	89.4 Å²	89.4	28%	0.279	45%	0.451	S	S	.	.			trans	-71.2	82	-175.8	-73.1	-169.8	-179.4	-176.9	-2.5	109.3	V454 N458 K459	V454-R456 VanDerWaalsContact C-N 3.31Å; V454-R456 HydrophobicContact CG1-CG 4.32Å; V454-R456 WeakPolarHBondContact O-CG 3.22Å; V454-R456 PolarHBondContact O-N 3.22Å; R456-N458 CarbonylContact O-C 3.57Å; R456-N458 PolarHBondContact O-N 3.23Å; R456-K459 WeakPolarHBondContact O-CG 3.47Å; R456-K459 PolarHBondContact O-N 2.99Å
457	K	38.5	Very low	65.8	Low	187 Å²	187	84 Å²	84	81%	0.813	43%	0.43	S	S	*	.	S	Bend	trans	-54.4	-23.4	172.8	-70.1	-174.8	176.4	-179	0	112.8	D455	D455-K457 PolarHBondContact O-N 3.48Å
458	N	42.2	Very low	66	Low	151 Å²	151	80.9 Å²	80.9	81%	0.807	41%	0.408	S	S	*	.	S	Bend	trans	-103.9	95.2	154.6	-78.5	-25.7	0	0	0	110	R456 P460	R456-N458 CarbonylContact O-C 3.57Å; R456-N458 PolarHBondContact O-N 3.23Å; N458-P460 WeakPolarHBondContact O-CD 3.42Å
459	K	48.2	Very low	66	Low	187 Å²	187	78.3 Å²	78.3	81%	0.813	40%	0.399	S	S	*	.			trans	-68.9	110.6	171.3	-72.2	179.4	-179.6	171.4	0	108.8	R456	R456-K459 WeakPolarHBondContact O-CG 3.47Å; R456-K459 PolarHBondContact O-N 2.99Å
460	P	55.4	Low	66.2	Low	63 Å²	63	77.8 Å²	77.8	41%	0.409	39%	0.394	S	S	.	.			trans	-61.8	142.3	167.6	27.7	-33.4	0	0	0	108.6	N458 V462	N458-P460 WeakPolarHBondContact O-CD 3.42Å; P460-V462 PolarHBondContact O-N 2.79Å
461	K	57.8	Low	66.5	Low	120 Å²	120	83.6 Å²	83.6	52%	0.522	41%	0.412	S	S	.	.	S	Bend	trans	-55.9	-20.6	-176.8	-66.4	175.7	-177.7	164	0	113.6	Y560 S567	K461-Y560 HydrophobicContact CB-CE1 4.09Å; K461-Y560 HydrophobicContact CD-CE1 3.79Å; K461-S567 PolarHBondContact NZ-O 2.88Å
462	V	61.9	Low	67.7	Low	33 Å²	33	82.8 Å²	82.8	20%	0.2	41%	0.411	C	S	.	.	S	Bend	trans	-124	126.9	174.2	-176.7	0	0	0	0	108.7	P460 R542 Y560	P460-V462 PolarHBondContact O-N 2.79Å; V462-R542 HydrophobicContact CG1-CB 4.02Å; V462-Y560 HydrophobicContact CG2-CD1 4.48Å; V462-Y560 HydrophobicContact CG2-CD2 3.19Å; V462-Y560 HydrophobicContact CG2-CE2 3.65Å; V462-Y560 HydrophobicContact CG2-CG 3.66Å
463	I	76.7	Confident	69.3	Low	93 Å²	93	79.8 Å²	79.8	48%	0.477	40%	0.399	S	S	.	.			trans	-74.7	147.6	176.4	-54.1	172.5	0	0	0	108.9	Q524	I463-Q524 PolarHBondContact O-NE2 2.83Å
464	A	83.3	Confident	71.4	Confident	4 Å²	4	72.5 Å²	72.5	3%	0.033	36%	0.361	C	S	.	.			trans	-58	145.7	176.2	0	0	0	0	0	111.2	R466 C615 E617 Y643	A464-R466 PolarHBondContact O-N 2.96Å; A464-C615 VanDerWaalsContact CB-SG 3.59Å; A464-E617 HydrophobicContact CB-CB 4.08Å; A464-Y643 HydrophobicContact CB-CD2 4.4Å
465	T	87.8	Confident	73.6	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.018	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.7	177.8	-54.6	0	0	0	0	110.4	L467 R542 I603 L613 C615 A616 E617	T465-L467 HydrophobicContact CG2-CD2 4.01Å; T465-L467 PolarHBondContact O-N 3.19Å; T465-R542 PolarHBondContact OG1-NE 2.83Å; T465-R542 PolarHBondContact OG1-NH2 2.95Å; T465-I603 HydrophobicContact CG2-CD1 4.23Å; T465-I603 HydrophobicContact CG2-CG1 4Å; T465-L613 HydrophobicContact CG2-CD1 3.84Å; T465-L613 HydrophobicContact CG2-CD2 4.33Å; T465-C615 PolarHBondContact N-O 2.84Å; T465-C615 VanDerWaalsContact N-O 3.1Å; T465-C615 PolarHBondContact OG1-O 3.32Å; T465-A616 CarbonylContact O-C 3.53Å; T465-A616 VanDerWaalsContact O-CA 3.32Å; T465-A616 WeakPolarHBondContact O-CA 3.42Å; T465-E617 PolarHBondContact O-N 2.97Å
466	R	91.9	Very high	76.3	Confident	22 Å²	22	67.2 Å²	67.2	8%	0.083	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.8	173.2	-164	171.3	-78.5	-147.5	-6.7	110.3	E452 A464 W601 A602 I603 E617 A619	E452-R466 IonicContact OE1-CZ 2.67Å; E452-R466 IonicContact OE1-NH1 3.56Å; E452-R466 PolarHBondContact OE1-NH1 3.36Å; E452-R466 IonicContact OE1-NH2 3.34Å; A464-R466 PolarHBondContact O-N 2.96Å; R466-W601 WeakPolarHBondContact CB-O 3.32Å; R466-W601 PolarHBondContact N-O 3.22Å; R466-A602 HydrophobicContact CB-CB 4.09Å; R466-A602 CarbonylContact O-C 3.49Å; R466-A602 WeakPolarHBondContact O-CA 3.48Å; R466-I603 PolarHBondContact O-N 3.44Å; R466-E617 CarbonylContact C-O 3.56Å; R466-E617 VanDerWaalsContact CA-O 3.23Å; R466-E617 WeakPolarHBondContact CA-O 3.42Å; R466-E617 IonicContact CZ-OE1 4Å; R466-E617 IonicContact CZ-OE2 3.46Å; R466-E617 IonicContact NE-OE1 3.41Å; R466-E617 IonicContact NE-OE2 3.35Å; R466-E617 PolarHBondContact NE-OE2 2.84Å; R466-E617 VanDerWaalsContact NH2-CD 3.28Å; R466-E617 IonicContact NH2-OE1 3.13Å; R466-E617 PolarHBondContact NH2-OE1 2.91Å; R466-E617 IonicContact NH2-OE2 4Å; R466-E617 PolarHBondContact NH2-OE2 3.35Å; R466-A619 HydrophobicContact CG-CB 4.41Å
467	L	91.9	Very high	78.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.4	171.8	-64.9	-164.5	0	0	0	109.4	T465 I603 I605 L613 E617 L618 A619 A632 R635	T465-L467 HydrophobicContact CG2-CD2 4.01Å; T465-L467 PolarHBondContact O-N 3.19Å; L467-I603 WeakPolarHBondContact CA-O 3.45Å; L467-I603 HydrophobicContact CD2-CD1 3.78Å; L467-I603 HydrophobicContact CD2-CG1 3.3Å; L467-I605 HydrophobicContact CB-CG1 4.07Å; L467-L613 HydrophobicContact CD1-CD1 4.22Å; L467-L613 HydrophobicContact CD2-CD1 3.89Å; L467-L613 HydrophobicContact CG-CD1 4.31Å; L467-E617 PolarHBondContact N-O 3.29Å; L467-L618 HydrophobicContact CB-CD2 3.75Å; L467-L618 HydrophobicContact CD1-CD2 3.58Å; L467-L618 HydrophobicContact CG-CD2 3.71Å; L467-A619 PolarHBondContact O-N 3.25Å; L467-A632 HydrophobicContact CD1-CB 4.19Å; L467-R635 HydrophobicContact CD1-CB 4.35Å; L467-R635 HydrophobicContact CD1-CG 3.83Å
468	C	91.5	Very high	81.1	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.054	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	150.4	178.6	-53.6	0	0	0	0	111.1	D473 A474 I603 S604 I605	C468-D473 HydrophobicContact CB-CB 4.07Å; C468-A474 HydrophobicContact CB-CB 4.08Å; C468-I603 PolarHBondContact N-O 2.92Å; C468-S604 CarbonylContact O-C 3.57Å; C468-S604 VanDerWaalsContact O-CA 3.22Å; C468-S604 WeakPolarHBondContact O-CA 3.34Å; C468-I605 WeakPolarHBondContact O-CG1 3.14Å; C468-I605 PolarHBondContact O-N 3Å
469	T	88.3	Confident	83.6	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.018	29%	0.291	C	S	.	.	S	Bend	trans	-71.6	-43.4	177.9	58.7	0	0	0	0	111.6	I605 K622 V623	T469-I605 HydrophobicContact CG2-CD1 3.86Å; T469-K622 VanDerWaalsContact CB-O 3.28Å; T469-K622 WeakPolarHBondContact CB-O 3.4Å; T469-K622 HydrophobicContact CG2-CB 4.46Å; T469-K622 VanDerWaalsContact CG2-O 3.25Å; T469-K622 WeakPolarHBondContact CG2-O 3.42Å; T469-K622 WeakPolarHBondContact OG1-CB 3.29Å; T469-K622 PolarHBondContact OG1-O 3.36Å; T469-V623 HydrophobicContact CG2-CB 4.41Å; T469-V623 HydrophobicContact CG2-CG2 3.69Å
470	H	88.9	Confident	85.8	Confident	75 Å²	75	55.5 Å²	55.5	35%	0.347	28%	0.278	S	S	.	.	S	Bend	trans	-96.2	150.9	178	-55.4	-76.8	0	0	0	112.7	D473 F624	H470-D473 IonicContact CD2-OD2 3.04Å; H470-F624 AromaticContact CE1-CD1 3.69Å; H470-F624 AromaticContact CE1-CE1 3.44Å; H470-F624 VanDerWaalsContact CE1-CE1 3.44Å; H470-F624 WeakPolarHBondContact CE1-CE1 3.4Å; H470-F624 AromaticContact ND1-CE1 3.88Å
471	R	88	Confident	87.5	Confident	156 Å²	156	55 Å²	55	59%	0.589	27%	0.269	S	S	*	.	H	α-helix	trans	-68.2	-40.9	173.8	176.4	178	172.9	179.8	-3.7	112.1	D473 A474 D475	R471-D473 PolarHBondContact O-N 2.85Å; R471-A474 PolarHBondContact O-N 3.27Å; R471-D475 VanDerWaalsContact CG-OD2 3.23Å; R471-D475 WeakPolarHBondContact CG-OD2 3.34Å; R471-D475 IonicContact CZ-OD2 2.7Å; R471-D475 IonicContact NE-OD2 3.33Å; R471-D475 PolarHBondContact NE-OD2 3.42Å; R471-D475 IonicContact NH2-OD2 3.69Å; R471-D475 WeakPolarHBondContact O-CB 3.39Å; R471-D475 PolarHBondContact O-N 3.32Å
472	A	91.4	Very high	89.2	Confident	71 Å²	71	50 Å²	50	59%	0.587	25%	0.248	S	C	*	.	H	α-helix	trans	-58.3	-46.5	-178.9	0	0	0	0	0	111.9	A474 D475 A476	A472-A474 VanDerWaalsContact C-N 3.33Å; A472-A474 PolarHBondContact O-N 3.49Å; A472-D475 PolarHBondContact O-N 3.3Å; A472-A476 VanDerWaalsContact O-CB 3.25Å; A472-A476 WeakPolarHBondContact O-CB 3.07Å; A472-A476 PolarHBondContact O-N 2.79Å
473	D	91.9	Very high	90.8	Very high	56 Å²	56	52.4 Å²	52.4	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-57.5	-43.2	176.1	-67.4	-12.3	0	0	0	112.1	C468 H470 R471 W477 K622	C468-D473 HydrophobicContact CB-CB 4.07Å; H470-D473 IonicContact CD2-OD2 3.04Å; R471-D473 PolarHBondContact O-N 2.85Å; D473-W477 WeakPolarHBondContact O-CB 3.42Å; D473-W477 PolarHBondContact O-N 2.98Å; D473-K622 VanDerWaalsContact CG-NZ 3.28Å; D473-K622 IonicContact OD1-NZ 3.68Å; D473-K622 PolarHBondContact OD1-NZ 3.34Å; D473-K622 VanDerWaalsContact OD1-NZ 3.1Å; D473-K622 WeakPolarHBondContact OD2-CD 3.4Å; D473-K622 IonicContact OD2-NZ 2.79Å; D473-K622 PolarHBondContact OD2-NZ 3.07Å
474	A	91.8	Very high	91.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-70.2	-43.8	178.4	0	0	0	0	0	112.8	C468 R471 A472 W477 N478 A602	C468-A474 HydrophobicContact CB-CB 4.08Å; R471-A474 PolarHBondContact O-N 3.27Å; A472-A474 VanDerWaalsContact C-N 3.33Å; A472-A474 PolarHBondContact O-N 3.49Å; A474-W477 PolarHBondContact O-N 2.91Å; A474-N478 WeakPolarHBondContact O-CB 3.43Å; A474-N478 PolarHBondContact O-N 2.75Å; A474-N478 PolarHBondContact O-ND2 3.25Å; A474-A602 HydrophobicContact CB-CB 3.86Å
475	D	92.5	Very high	91.9	Very high	50 Å²	50	54.1 Å²	54.1	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-39.9	-179.9	-70.4	-10.9	0	0	0	110	R471 A472 N478 Q479	R471-D475 VanDerWaalsContact CG-OD2 3.23Å; R471-D475 WeakPolarHBondContact CG-OD2 3.34Å; R471-D475 IonicContact CZ-OD2 2.7Å; R471-D475 IonicContact NE-OD2 3.33Å; R471-D475 PolarHBondContact NE-OD2 3.42Å; R471-D475 IonicContact NH2-OD2 3.69Å; R471-D475 WeakPolarHBondContact O-CB 3.39Å; R471-D475 PolarHBondContact O-N 3.32Å; A472-D475 PolarHBondContact O-N 3.3Å; D475-N478 PolarHBondContact O-N 2.78Å; D475-Q479 VanDerWaalsContact O-CG 3.28Å; D475-Q479 WeakPolarHBondContact O-CG 3.43Å; D475-Q479 PolarHBondContact O-N 2.9Å
476	A	94.2	Very high	92.1	Very high	54 Å²	54	59 Å²	59	45%	0.446	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-42.5	173.8	0	0	0	0	0	113.1	A472 N478 Q479 R480	A472-A476 VanDerWaalsContact O-CB 3.25Å; A472-A476 WeakPolarHBondContact O-CB 3.07Å; A472-A476 PolarHBondContact O-N 2.79Å; A476-N478 PolarHBondContact O-N 2.95Å; A476-Q479 PolarHBondContact O-N 3.45Å; A476-R480 WeakPolarHBondContact O-CB 3.22Å; A476-R480 PolarHBondContact O-N 3.47Å
477	W	93.1	Very high	91.9	Very high	65 Å²	65	60.8 Å²	60.8	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-42.6	175.7	-174.3	-97.1	0	0	0	112.1	D473 A474 R480 K481 A602	D473-W477 WeakPolarHBondContact O-CB 3.42Å; D473-W477 PolarHBondContact O-N 2.98Å; A474-W477 PolarHBondContact O-N 2.91Å; W477-R480 PolarHBondContact O-N 3.29Å; W477-K481 WeakPolarHBondContact O-CG 3.42Å; W477-K481 PolarHBondContact O-N 2.93Å; W477-A602 HydrophobicContact CB-CB 3.97Å; W477-A602 HydrophobicContact CG-CB 4.07Å
478	N	94.5	Very high	91.8	Very high	10 Å²	10	66 Å²	66	5%	0.053	37%	0.366	C	S	.	.	H	α-helix	trans	-62.5	-42.7	174.4	-76.5	-42.8	0	0	0	112.1	A474 D475 A476 K481 L482 L599 W601 A602	A474-N478 WeakPolarHBondContact O-CB 3.43Å; A474-N478 PolarHBondContact O-N 2.75Å; A474-N478 PolarHBondContact O-ND2 3.25Å; D475-N478 PolarHBondContact O-N 2.78Å; A476-N478 PolarHBondContact O-N 2.95Å; N478-K481 PolarHBondContact O-N 2.84Å; N478-L482 WeakPolarHBondContact O-CB 3.14Å; N478-L482 PolarHBondContact O-N 3.25Å; N478-L599 HydrophobicContact CB-CB 4Å; N478-L599 HydrophobicContact CB-CD1 4.01Å; N478-W601 HydrophobicContact CB-CE3 4.48Å; N478-W601 PolarHBondContact OD1-N 3.36Å; N478-A602 PolarHBondContact ND2-O 2.82Å; N478-A602 PolarHBondContact OD1-N 3.15Å; N478-A602 PolarHBondContact OD1-O 3.2Å
479	Q	94	Very high	91.8	Very high	136 Å²	136	68.6 Å²	68.6	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-62.7	-46.1	176.9	-75.5	172.3	5.1	0	0	111.6	D475 A476 L482 S483	D475-Q479 VanDerWaalsContact O-CG 3.28Å; D475-Q479 WeakPolarHBondContact O-CG 3.43Å; D475-Q479 PolarHBondContact O-N 2.9Å; A476-Q479 PolarHBondContact O-N 3.45Å; Q479-L482 PolarHBondContact O-N 3.24Å; Q479-S483 PolarHBondContact O-N 3.01Å; Q479-S483 PolarHBondContact O-OG 2.86Å
480	R	94.3	Very high	92	Very high	143 Å²	143	73.1 Å²	73.1	54%	0.54	40%	0.403	S	S	.	.	H	α-helix	trans	-57.7	-49.8	175.1	177	177.4	173.1	168	4.5	111.8	A476 W477 L482 S483 E484	A476-R480 WeakPolarHBondContact O-CB 3.22Å; A476-R480 PolarHBondContact O-N 3.47Å; W477-R480 PolarHBondContact O-N 3.29Å; R480-L482 VanDerWaalsContact C-N 3.3Å; R480-L482 PolarHBondContact O-N 2.95Å; R480-S483 WeakPolarHBondContact CA-OG 3.4Å; R480-S483 PolarHBondContact O-N 2.86Å; R480-S483 VanDerWaalsContact O-N 3.14Å; R480-S483 PolarHBondContact O-OG 2.81Å; R480-E484 VanDerWaalsContact CG-OE1 3.3Å; R480-E484 WeakPolarHBondContact CG-OE1 3.5Å; R480-E484 IonicContact CZ-OE1 3.75Å; R480-E484 IonicContact NE-OE1 3.01Å; R480-E484 PolarHBondContact NE-OE1 2.85Å; R480-E484 IonicContact NH2-OE1 3.1Å; R480-E484 WeakPolarHBondContact O-CG 3.29Å; R480-E484 PolarHBondContact O-N 2.89Å
481	K	92.9	Very high	92.3	Very high	53 Å²	53	72.8 Å²	72.8	23%	0.23	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-33	179.4	-70.3	-72.5	157.2	-153.3	0	112.7	W477 N478 E484 W601	W477-K481 WeakPolarHBondContact O-CG 3.42Å; W477-K481 PolarHBondContact O-N 2.93Å; N478-K481 PolarHBondContact O-N 2.84Å; K481-E484 WeakPolarHBondContact CD-OE2 3.45Å; K481-E484 WeakPolarHBondContact CE-OE2 3.02Å; K481-E484 IonicContact NZ-OE1 3.08Å; K481-E484 IonicContact NZ-OE2 3.82Å; K481-E484 PolarHBondContact NZ-OE2 3.02Å; K481-W601 HydrophobicContact CB-CB 4.2Å; K481-W601 HydrophobicContact CB-CD2 3.4Å; K481-W601 VanDerWaalsContact CB-CD2 3.4Å; K481-W601 HydrophobicContact CB-CE3 3.66Å; K481-W601 HydrophobicContact CB-CG 3.65Å; K481-W601 HydrophobicContact CB-CH2 4.43Å; K481-W601 HydrophobicContact CB-CZ2 4.26Å; K481-W601 HydrophobicContact CB-CZ3 4.17Å; K481-W601 HydrophobicContact CG-CB 4.08Å; K481-W601 HydrophobicContact CG-CD2 4.18Å; K481-W601 HydrophobicContact CG-CG 3.87Å
482	L	93.4	Very high	92.6	Very high	14 Å²	14	66.6 Å²	66.6	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-71.2	-34.9	171.9	-170.7	68.1	0	0	0	112.5	N478 Q479 R480 L485 N518 K520 A523 L599 W601	N478-L482 WeakPolarHBondContact O-CB 3.14Å; N478-L482 PolarHBondContact O-N 3.25Å; Q479-L482 PolarHBondContact O-N 3.24Å; R480-L482 VanDerWaalsContact C-N 3.3Å; R480-L482 PolarHBondContact O-N 2.95Å; L482-L485 HydrophobicContact CD1-CD1 4.44Å; L482-N518 HydrophobicContact CD2-CB 3.68Å; L482-K520 HydrophobicContact CD1-CB 4.01Å; L482-K520 HydrophobicContact CD1-CD 4.24Å; L482-K520 HydrophobicContact CD1-CG 4.01Å; L482-K520 WeakPolarHBondContact O-CD 3.43Å; L482-K520 WeakPolarHBondContact O-CE 3.44Å; L482-K520 PolarHBondContact O-NZ 2.89Å; L482-A523 HydrophobicContact CD1-CB 4.06Å; L482-L599 HydrophobicContact CD2-CD1 4.12Å; L482-W601 HydrophobicContact CB-CH2 4.27Å; L482-W601 HydrophobicContact CB-CZ3 3.97Å; L482-W601 HydrophobicContact CD1-CH2 4.11Å; L482-W601 HydrophobicContact CD1-CZ3 4.33Å
483	S	93.7	Very high	92.7	Very high	84 Å²	84	72.2 Å²	72.2	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-69.4	-37.5	175.8	59.9	0	0	0	0	112.2	Q479 R480 L485 K520	Q479-S483 PolarHBondContact O-N 3.01Å; Q479-S483 PolarHBondContact O-OG 2.86Å; R480-S483 WeakPolarHBondContact CA-OG 3.4Å; R480-S483 PolarHBondContact O-N 2.86Å; R480-S483 VanDerWaalsContact O-N 3.14Å; R480-S483 PolarHBondContact O-OG 2.81Å; S483-L485 PolarHBondContact O-N 3.41Å; S483-K520 PolarHBondContact O-NZ 3.09Å
484	E	93	Very high	92.8	Very high	94 Å²	94	70.6 Å²	70.6	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-19.9	177.4	-73.4	170.2	-171.4	0	0	113.8	R480 K481	R480-E484 VanDerWaalsContact CG-OE1 3.3Å; R480-E484 WeakPolarHBondContact CG-OE1 3.5Å; R480-E484 IonicContact CZ-OE1 3.75Å; R480-E484 IonicContact NE-OE1 3.01Å; R480-E484 PolarHBondContact NE-OE1 2.85Å; R480-E484 IonicContact NH2-OE1 3.1Å; R480-E484 WeakPolarHBondContact O-CG 3.29Å; R480-E484 PolarHBondContact O-N 2.89Å; K481-E484 WeakPolarHBondContact CD-OE2 3.45Å; K481-E484 WeakPolarHBondContact CE-OE2 3.02Å; K481-E484 IonicContact NZ-OE1 3.08Å; K481-E484 IonicContact NZ-OE2 3.82Å; K481-E484 PolarHBondContact NZ-OE2 3.02Å
485	L	91.8	Very high	92.7	Very high	38 Å²	38	77.1 Å²	77.1	20%	0.199	41%	0.412	C	S	.	.	S	Bend	trans	-76.5	138.7	177.7	-75	173.9	0	0	0	112.9	L482 S483 K520 G522 A523 W601	L482-L485 HydrophobicContact CD1-CD1 4.44Å; S483-L485 PolarHBondContact O-N 3.41Å; L485-K520 HydrophobicContact CB-CB 4.48Å; L485-K520 HydrophobicContact CB-CD 3.85Å; L485-K520 HydrophobicContact CD1-CB 4.34Å; L485-K520 PolarHBondContact O-NZ 3.29Å; L485-G522 VanDerWaalsContact CD1-C 3.49Å; L485-A523 HydrophobicContact CD1-CB 4.11Å; L485-W601 HydrophobicContact CD1-CH2 3.73Å; L485-W601 HydrophobicContact CD1-CZ2 3.76Å
486	P	90.5	Very high	92.6	Very high	105 Å²	105	77.4 Å²	77.4	68%	0.682	41%	0.414	S	S	*	.			trans	-69	166.3	170.4	31.4	-35.6	0	0	0	112
487	G	88	Confident	92.2	Very high	60 Å²	60	79.2 Å²	79.2	62%	0.619	42%	0.416	S	S	*	.	S	Bend	trans	90.3	167	175.9	0	0	0	0	0	115	K520	G487-K520 WeakPolarHBondContact O-CE 3.47Å
488	S	89.4	Confident	91.5	Very high	110 Å²	110	77.9 Å²	77.9	77%	0.769	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-72.6	141.4	-177.4	52.6	0	0	0	0	112
489	C	92.2	Very high	90.2	Very high	62 Å²	62	84 Å²	84	42%	0.419	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-85.2	119.8	176.4	-173.6	0	0	0	0	110.3	K520	C489-K520 HydrophobicContact CB-CG 4.25Å
490	K	92.9	Very high	88.9	Confident	99 Å²	99	80 Å²	80	43%	0.43	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.2	170	-167.3	73.1	173.4	-169.6	0	109.2	Y492 L519 I548	K490-Y492 HydrophobicContact CB-CE2 3.92Å; K490-Y492 HydrophobicContact CG-CD2 4.33Å; K490-Y492 HydrophobicContact CG-CE1 4.37Å; K490-Y492 HydrophobicContact CG-CE2 3.62Å; K490-L519 PolarHBondContact N-O 3.47Å; K490-L519 PolarHBondContact O-N 3.24Å; K490-I548 HydrophobicContact CB-CD1 3.84Å; K490-I548 HydrophobicContact CG-CG2 4.47Å
491	V	94.5	Very high	87.4	Confident	68 Å²	68	83.8 Å²	83.8	41%	0.412	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.6	179.9	-178.3	0	0	0	0	109.4	R493 V516	V491-R493 HydrophobicContact CG1-CG 4.23Å; V491-V516 HydrophobicContact CG1-CG1 3.7Å
492	Y	94.5	Very high	86.4	Confident	26 Å²	26	83.2 Å²	83.2	10%	0.102	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.7	175.9	-63	-90.1	0	0	0	109.5	K490 L517 L519 I548 G553 Q594 L595	K490-Y492 HydrophobicContact CB-CE2 3.92Å; K490-Y492 HydrophobicContact CG-CD2 4.33Å; K490-Y492 HydrophobicContact CG-CE1 4.37Å; K490-Y492 HydrophobicContact CG-CE2 3.62Å; Y492-L517 PolarHBondContact N-O 3.46Å; Y492-L517 PolarHBondContact O-N 2.92Å; Y492-L519 HydrophobicContact CD2-CD1 4.12Å; Y492-L519 HydrophobicContact CD2-CG 4.27Å; Y492-L519 HydrophobicContact CE2-CB 4.13Å; Y492-L519 HydrophobicContact CE2-CD1 3.8Å; Y492-L519 HydrophobicContact CE2-CG 4.17Å; Y492-I548 WeakPolarHBondContact OH-CG2 3.3Å; Y492-G553 WeakPolarHBondContact CE1-O 3.49Å; Y492-G553 PolarHBondContact OH-O 3.47Å; Y492-Q594 PolarHBondContact O-NE2 3.36Å; Y492-L595 HydrophobicContact CD1-CD1 3.53Å; Y492-L595 HydrophobicContact CD1-CG 4.3Å; Y492-L595 HydrophobicContact CD2-CD1 3.91Å; Y492-L595 HydrophobicContact CE1-CD1 3.71Å; Y492-L595 HydrophobicContact CE2-CD1 4.07Å; Y492-L595 HydrophobicContact CG-CD1 3.63Å
493	R	94.6	Very high	85.5	Confident	188 Å²	188	84.2 Å²	84.2	71%	0.709	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.6	173.8	-59.9	-176.6	-176.6	-82.8	1.5	109.1	V491	V491-R493 HydrophobicContact CG1-CG 4.23Å
494	S	92.4	Very high	84.7	Confident	23 Å²	23	83.3 Å²	83.3	16%	0.161	48%	0.483	C	S	.	.			trans	-70.4	152.9	175.9	68.4	0	0	0	0	111.6	D496 S515 R592 C593	S494-D496 WeakPolarHBondContact CB-OD1 3.48Å; S494-D496 PolarHBondContact OG-OD1 3.39Å; S494-S515 PolarHBondContact N-O 3Å; S494-S515 WeakPolarHBondContact OG-CA 3.28Å; S494-S515 PolarHBondContact OG-O 2.67Å; S494-R592 PolarHBondContact OG-NE 3.18Å; S494-C593 WeakPolarHBondContact CA-O 3.34Å; S494-C593 WeakPolarHBondContact CB-O 3.29Å
495	Q	91.2	Very high	84	Confident	137 Å²	137	83.2 Å²	83.2	64%	0.64	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.8	166.5	-61.5	173.3	-1	0	0	107.6	C593	Q495-C593 HydrophobicContact CB-CB 4.21Å; Q495-C593 PolarHBondContact N-O 3.4Å; Q495-C593 PolarHBondContact O-N 3.27Å
496	D	90.1	Very high	83.2	Confident	56 Å²	56	84.2 Å²	84.2	30%	0.299	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.3	-177.8	-73.7	14.7	0	0	0	109.4	S494 I507 S591 R592	S494-D496 WeakPolarHBondContact CB-OD1 3.48Å; S494-D496 PolarHBondContact OG-OD1 3.39Å; D496-I507 HydrophobicContact CB-CD1 4.01Å; D496-S591 CarbonylContact C-O 3.5Å; D496-S591 WeakPolarHBondContact CA-O 3.41Å; D496-R592 WeakPolarHBondContact OD1-CG 3.48Å; D496-R592 IonicContact OD1-CZ 3.96Å; D496-R592 IonicContact OD1-NE 2.71Å; D496-R592 PolarHBondContact OD1-NE 2.96Å; D496-R592 IonicContact OD1-NH2 3.66Å; D496-R592 IonicContact OD2-CZ 3.84Å; D496-R592 IonicContact OD2-NE 3.74Å; D496-R592 PolarHBondContact OD2-NE 3.18Å; D496-R592 IonicContact OD2-NH2 2.65Å; D496-R592 PolarHBondContact OD2-NH2 2.91Å
497	N	86	Confident	82.8	Confident	92 Å²	92	79.3 Å²	79.3	49%	0.492	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.6	173	-66.5	-56.4	0	0	0	109.3	A590 S591	N497-A590 CarbonylContact O-C 3.52Å; N497-A590 WeakPolarHBondContact O-CA 3.39Å; N497-A590 VanDerWaalsContact O-CB 3.25Å; N497-A590 WeakPolarHBondContact O-CB 3.3Å; N497-S591 PolarHBondContact N-O 2.76Å; N497-S591 PolarHBondContact O-N 2.8Å
498	G	77.8	Confident	82.5	Confident	38 Å²	38	80.2 Å²	80.2	39%	0.392	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	156.3	174	0	0	0	0	0	112.4	I589	G498-I589 WeakPolarHBondContact CA-O 3.22Å
499	V	67.4	Low	81.9	Confident	138 Å²	138	79.1 Å²	79.1	84%	0.836	45%	0.448	S	S	*	.			trans	-110.8	119	-175.4	-174.3	0	0	0	0	110.2
500	G	65.9	Low	81	Confident	51 Å²	51	77 Å²	77	53%	0.526	43%	0.434	S	S	.	.	S	Bend	trans	134.6	154.9	170.5	0	0	0	0	0	115.2	I503	G500-I503 WeakPolarHBondContact O-CG2 3.39Å
501	K	63.4	Low	80.4	Confident	223 Å²	223	72.8 Å²	72.8	97%	0.97	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	135.9	171.6	-67.1	-175.7	177.5	-177.6	0	109.7
502	G	72.1	Confident	79.8	Confident	41 Å²	41	71.6 Å²	71.6	42%	0.423	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	13.1	-178.6	0	0	0	0	0	115.2	T505 T506	G502-T505 PolarHBondContact O-OG1 3.45Å; G502-T506 PolarHBondContact O-N 2.86Å; G502-T506 PolarHBondContact O-OG1 2.84Å
503	I	75.3	Confident	79.5	Confident	36 Å²	36	70.4 Å²	70.4	19%	0.185	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-38	178.5	-160.9	62	0	0	0	112.1	G500 T505 T506 I507 I589 A590	G500-I503 WeakPolarHBondContact O-CG2 3.39Å; I503-T505 PolarHBondContact O-N 2.84Å; I503-T506 CarbonylContact O-C 3.49Å; I503-T506 WeakPolarHBondContact O-CA 3.48Å; I503-T506 WeakPolarHBondContact O-CB 3.39Å; I503-T506 PolarHBondContact O-N 3.33Å; I503-I507 HydrophobicContact CG1-CD1 4.14Å; I503-I507 HydrophobicContact CG1-CG1 4.39Å; I503-I507 VanDerWaalsContact O-CG1 3.28Å; I503-I507 WeakPolarHBondContact O-CG1 3.38Å; I503-I507 PolarHBondContact O-N 2.98Å; I503-I589 HydrophobicContact CD1-CG2 4.08Å; I503-A590 HydrophobicContact CD1-CB 3.86Å; I503-A590 HydrophobicContact CG1-CB 3.8Å
504	S	76.6	Confident	79.3	Confident	64 Å²	64	63.2 Å²	63.2	45%	0.448	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-47.5	178.1	50.5	0	0	0	0	113	T506 I507 D508	S504-T506 VanDerWaalsContact C-N 3.28Å; S504-T506 PolarHBondContact O-N 3.38Å; S504-I507 PolarHBondContact O-N 2.99Å; S504-I507 VanDerWaalsContact O-N 3.16Å; S504-D508 PolarHBondContact O-N 3.43Å
505	T	78.2	Confident	79.3	Confident	93 Å²	93	64.2 Å²	64.2	57%	0.571	39%	0.391	S	S	*	.	H	α-helix	trans	-64	-33.1	175.1	46.6	0	0	0	0	112.5	G502 I503 S509	G502-T505 PolarHBondContact O-OG1 3.45Å; I503-T505 PolarHBondContact O-N 2.84Å; T505-S509 WeakPolarHBondContact O-CB 3.38Å; T505-S509 PolarHBondContact O-N 3.16Å; T505-S509 VanDerWaalsContact O-N 3.13Å; T505-S509 PolarHBondContact O-OG 2.82Å
506	T	75.5	Confident	79.4	Confident	59 Å²	59	60.7 Å²	60.7	36%	0.362	38%	0.379	S	S	.	.	H	α-helix	trans	-70.6	-36.4	174.7	-52.7	0	0	0	0	111.3	G502 I503 S504 S509 S510	G502-T506 PolarHBondContact O-N 2.86Å; G502-T506 PolarHBondContact O-OG1 2.84Å; I503-T506 CarbonylContact O-C 3.49Å; I503-T506 WeakPolarHBondContact O-CA 3.48Å; I503-T506 WeakPolarHBondContact O-CB 3.39Å; I503-T506 PolarHBondContact O-N 3.33Å; S504-T506 VanDerWaalsContact C-N 3.28Å; S504-T506 PolarHBondContact O-N 3.38Å; T506-S509 WeakPolarHBondContact CA-OG 3.47Å; T506-S509 PolarHBondContact O-OG 2.81Å; T506-S510 VanDerWaalsContact O-CB 3.26Å; T506-S510 WeakPolarHBondContact O-CB 3.34Å; T506-S510 PolarHBondContact O-N 2.79Å; T506-S510 PolarHBondContact O-OG 3.01Å
507	I	81.1	Confident	79.6	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-49.6	173.1	-61.8	161.4	0	0	0	110.3	D496 I503 S504 S509 S510 C511 I581 A590 R592	D496-I507 HydrophobicContact CB-CD1 4.01Å; I503-I507 HydrophobicContact CG1-CD1 4.14Å; I503-I507 HydrophobicContact CG1-CG1 4.39Å; I503-I507 VanDerWaalsContact O-CG1 3.28Å; I503-I507 WeakPolarHBondContact O-CG1 3.38Å; I503-I507 PolarHBondContact O-N 2.98Å; S504-I507 PolarHBondContact O-N 2.99Å; S504-I507 VanDerWaalsContact O-N 3.16Å; I507-S509 VanDerWaalsContact C-N 3.27Å; I507-S509 PolarHBondContact O-N 2.77Å; I507-S510 PolarHBondContact O-N 2.88Å; I507-S510 VanDerWaalsContact O-N 3.11Å; I507-C511 HydrophobicContact CG2-CB 4.05Å; I507-C511 WeakPolarHBondContact O-CB 3.3Å; I507-C511 PolarHBondContact O-N 2.76Å; I507-I581 HydrophobicContact CB-CD1 4.03Å; I507-I581 HydrophobicContact CG1-CD1 3.75Å; I507-I581 HydrophobicContact CG2-CD1 4.21Å; I507-A590 HydrophobicContact CD1-CB 4.08Å; I507-A590 HydrophobicContact CG1-CB 4.04Å; I507-R592 HydrophobicContact CG2-CB 3.91Å; I507-R592 VanDerWaalsContact CG2-CZ 3.42Å
508	D	82.3	Confident	80.1	Confident	79 Å²	79	56.9 Å²	56.9	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-27.4	-178.4	-77.5	-28.1	0	0	0	114.3	S504 R592	S504-D508 PolarHBondContact O-N 3.43Å; D508-R592 IonicContact OD1-CZ 2.83Å; D508-R592 IonicContact OD1-NH1 3.25Å; D508-R592 PolarHBondContact OD1-NH1 2.72Å; D508-R592 IonicContact OD1-NH2 2.71Å; D508-R592 PolarHBondContact OD1-NH2 2.86Å
509	S	75.2	Confident	80.9	Confident	87 Å²	87	55.1 Å²	55.1	61%	0.608	34%	0.34	S	S	*	.	H	α-helix	trans	-83.3	-24.5	174.9	51	0	0	0	0	113.8	T505 T506 I507	T505-S509 WeakPolarHBondContact O-CB 3.38Å; T505-S509 PolarHBondContact O-N 3.16Å; T505-S509 VanDerWaalsContact O-N 3.13Å; T505-S509 PolarHBondContact O-OG 2.82Å; T506-S509 WeakPolarHBondContact CA-OG 3.47Å; T506-S509 PolarHBondContact O-OG 2.81Å; I507-S509 VanDerWaalsContact C-N 3.27Å; I507-S509 PolarHBondContact O-N 2.77Å
510	S	74.8	Confident	82.2	Confident	17 Å²	17	49.8 Å²	49.8	12%	0.119	31%	0.305	C	S	.	.	H	α-helix	trans	-104.4	-32.6	-173.6	-55.2	0	0	0	0	113.6	N278 T506 I507	N278-S510 PolarHBondContact ND2-O 3.19Å; T506-S510 VanDerWaalsContact O-CB 3.26Å; T506-S510 WeakPolarHBondContact O-CB 3.34Å; T506-S510 PolarHBondContact O-N 2.79Å; T506-S510 PolarHBondContact O-OG 3.01Å; I507-S510 PolarHBondContact O-N 2.88Å; I507-S510 VanDerWaalsContact O-N 3.11Å
511	C	80.5	Confident	83.6	Confident	11 Å²	11	50.9 Å²	50.9	7%	0.074	30%	0.302	C	S	.	.			trans	-90.8	127.3	-177.9	-171.7	0	0	0	0	110.6	I507 A513	I507-C511 HydrophobicContact CG2-CB 4.05Å; I507-C511 WeakPolarHBondContact O-CB 3.3Å; I507-C511 PolarHBondContact O-N 2.76Å; C511-A513 PolarHBondContact O-N 3.33Å
512	P	82.1	Confident	85	Confident	44 Å²	44	41.7 Å²	41.7	29%	0.286	27%	0.27	S	S	.	.	S	Bend	trans	-66.4	-23.1	175.1	-22.2	34.4	0	0	0	114.2	L528	P512-L528 HydrophobicContact CB-CD1 4.49Å; P512-L528 HydrophobicContact CB-CD2 4.48Å
513	A	87.2	Confident	86.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	25%	0.25	C	C	.	.	S	Bend	trans	-83.1	129.2	-176	0	0	0	0	0	111.4	C511 L528 W579 R592 Q594	C511-A513 PolarHBondContact O-N 3.33Å; A513-L528 HydrophobicContact CB-CD1 4.13Å; A513-W579 HydrophobicContact CB-CD2 4.21Å; A513-W579 HydrophobicContact CB-CE3 3.95Å; A513-W579 HydrophobicContact CB-CH2 3.66Å; A513-W579 HydrophobicContact CB-CZ2 3.89Å; A513-W579 HydrophobicContact CB-CZ3 3.68Å; A513-R592 WeakPolarHBondContact O-CD 3.44Å; A513-R592 PolarHBondContact O-NH1 3.32Å; A513-Q594 HydrophobicContact CB-CB 4.2Å; A513-Q594 HydrophobicContact CB-CG 4.12Å
514	P	90.6	Very high	86.9	Confident	37 Å²	37	38.2 Å²	38.2	24%	0.24	24%	0.242	C	C	.	.			trans	-71.9	148.1	-176.6	31.1	-36.2	0	0	0	112.3	V516 L517 Q594	P514-V516 VanDerWaalsContact C-N 3.26Å; P514-V516 PolarHBondContact O-N 2.74Å; P514-L517 HydrophobicContact CG-CB 4.16Å; P514-L517 HydrophobicContact CG-CD1 4.23Å; P514-Q594 WeakPolarHBondContact O-CG 3.42Å; P514-Q594 PolarHBondContact O-NE2 2.74Å
515	S	92.1	Very high	87.7	Confident	44 Å²	44	35.1 Å²	35.1	31%	0.308	22%	0.221	S	C	.	.	S	Bend	trans	-63.2	-31.3	175.7	49.1	0	0	0	0	113.3	S494	S494-S515 PolarHBondContact N-O 3Å; S494-S515 WeakPolarHBondContact OG-CA 3.28Å; S494-S515 PolarHBondContact OG-O 2.67Å
516	V	93.8	Very high	88.4	Confident	62 Å²	62	31 Å²	31	38%	0.376	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.7	172.8	-175.1	0	0	0	0	109.1	V491 P514	V491-V516 HydrophobicContact CG1-CG1 3.7Å; P514-V516 VanDerWaalsContact C-N 3.26Å; P514-V516 PolarHBondContact O-N 2.74Å
517	L	94.6	Very high	89	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120	174.2	-179.9	68.3	0	0	0	109.6	Y492 P514 L519 L595 L597	Y492-L517 PolarHBondContact N-O 3.46Å; Y492-L517 PolarHBondContact O-N 2.92Å; P514-L517 HydrophobicContact CG-CB 4.16Å; P514-L517 HydrophobicContact CG-CD1 4.23Å; L517-L519 HydrophobicContact CD1-CD2 4.21Å; L517-L519 HydrophobicContact CD2-CD1 4.05Å; L517-L519 HydrophobicContact CD2-CD2 4.24Å; L517-L519 HydrophobicContact CD2-CG 4.13Å; L517-L519 HydrophobicContact CG-CD1 4.49Å; L517-L519 HydrophobicContact CG-CD2 4.1Å; L517-L519 HydrophobicContact CG-CG 4.04Å; L517-L595 HydrophobicContact CD2-CB 4.15Å; L517-L595 HydrophobicContact CD2-CD1 4.25Å; L517-L597 HydrophobicContact CD2-CB 3.83Å
518	N	95.4	Very high	89.3	Confident	64 Å²	64	29 Å²	29	34%	0.342	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.6	176.8	-66.2	-12.5	0	0	0	108.9	L482	L482-N518 HydrophobicContact CD2-CB 3.68Å
519	L	95.4	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150	178.1	-61.4	179.8	0	0	0	111.3	K490 Y492 L517 V525 V545 I548 P555 L595 L597 L599	K490-L519 PolarHBondContact N-O 3.47Å; K490-L519 PolarHBondContact O-N 3.24Å; Y492-L519 HydrophobicContact CD2-CD1 4.12Å; Y492-L519 HydrophobicContact CD2-CG 4.27Å; Y492-L519 HydrophobicContact CE2-CB 4.13Å; Y492-L519 HydrophobicContact CE2-CD1 3.8Å; Y492-L519 HydrophobicContact CE2-CG 4.17Å; L517-L519 HydrophobicContact CD1-CD2 4.21Å; L517-L519 HydrophobicContact CD2-CD1 4.05Å; L517-L519 HydrophobicContact CD2-CD2 4.24Å; L517-L519 HydrophobicContact CD2-CG 4.13Å; L517-L519 HydrophobicContact CG-CD1 4.49Å; L517-L519 HydrophobicContact CG-CD2 4.1Å; L517-L519 HydrophobicContact CG-CG 4.04Å; L519-V525 HydrophobicContact CD2-CG1 3.58Å; L519-V545 HydrophobicContact CD1-CG2 4.41Å; L519-V545 HydrophobicContact CD2-CG2 4.46Å; L519-I548 HydrophobicContact CB-CD1 4.46Å; L519-P555 HydrophobicContact CD1-CB 4.22Å; L519-P555 HydrophobicContact CD1-CG 4.12Å; L519-L595 HydrophobicContact CD1-CD1 4.27Å; L519-L597 HydrophobicContact CD1-CD1 4.3Å; L519-L599 HydrophobicContact CD2-CD2 4Å
520	K	95.1	Very high	89.5	Confident	27 Å²	27	29.3 Å²	29.3	12%	0.117	17%	0.17	C	C	.	.			trans	-129.4	162.2	166.4	-74.4	-178.5	176.4	173.8	0	108.4	L482 S483 L485 G487 C489 A523	L482-K520 HydrophobicContact CD1-CB 4.01Å; L482-K520 HydrophobicContact CD1-CD 4.24Å; L482-K520 HydrophobicContact CD1-CG 4.01Å; L482-K520 WeakPolarHBondContact O-CD 3.43Å; L482-K520 WeakPolarHBondContact O-CE 3.44Å; L482-K520 PolarHBondContact O-NZ 2.89Å; S483-K520 PolarHBondContact O-NZ 3.09Å; L485-K520 HydrophobicContact CB-CB 4.48Å; L485-K520 HydrophobicContact CB-CD 3.85Å; L485-K520 HydrophobicContact CD1-CB 4.34Å; L485-K520 PolarHBondContact O-NZ 3.29Å; G487-K520 WeakPolarHBondContact O-CE 3.47Å; C489-K520 HydrophobicContact CB-CG 4.25Å; K520-A523 WeakPolarHBondContact O-CB 3.45Å; K520-A523 PolarHBondContact O-N 2.76Å; K520-A523 VanDerWaalsContact O-N 3.08Å
521	V	94.4	Very high	89.8	Confident	74 Å²	74	31 Å²	31	45%	0.448	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	139.3	163.8	175.9	0	0	0	0	108.9	A523 E546	V521-A523 VanDerWaalsContact C-N 3.29Å; V521-A523 PolarHBondContact O-N 2.85Å; V521-E546 VanDerWaalsContact CG1-O 3.32Å; V521-E546 WeakPolarHBondContact CG1-O 3.3Å
522	G	92.6	Very high	89.8	Confident	29 Å²	29	33 Å²	33	30%	0.299	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-3	-170.3	0	0	0	0	0	114.9	L485 Q524 V545	L485-G522 VanDerWaalsContact CD1-C 3.49Å; G522-Q524 PolarHBondContact O-N 3.34Å; G522-V545 PolarHBondContact N-O 2.81Å
523	A	94.6	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.			trans	-67.3	129.7	178.4	0	0	0	0	0	111.6	L482 L485 K520 V521 V544 V545 W601	L482-A523 HydrophobicContact CD1-CB 4.06Å; L485-A523 HydrophobicContact CD1-CB 4.11Å; K520-A523 WeakPolarHBondContact O-CB 3.45Å; K520-A523 PolarHBondContact O-N 2.76Å; K520-A523 VanDerWaalsContact O-N 3.08Å; V521-A523 VanDerWaalsContact C-N 3.29Å; V521-A523 PolarHBondContact O-N 2.85Å; A523-V544 WeakPolarHBondContact O-CA 3.33Å; A523-V545 HydrophobicContact CB-CG2 4.19Å; A523-V545 PolarHBondContact O-N 3.36Å; A523-W601 HydrophobicContact CB-CH2 3.83Å; A523-W601 HydrophobicContact CB-CZ2 4.44Å
524	Q	93.7	Very high	88.9	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.8	173.1	-168.5	173.6	-17.1	0	0	109.2	I463 G522 G543 A600 W601	I463-Q524 PolarHBondContact O-NE2 2.83Å; G522-Q524 PolarHBondContact O-N 3.34Å; Q524-G543 WeakPolarHBondContact CA-O 3.3Å; Q524-A600 HydrophobicContact CG-CB 4.04Å; Q524-A600 WeakPolarHBondContact CG-O 3.39Å; Q524-A600 PolarHBondContact NE2-O 2.84Å; Q524-A600 WeakPolarHBondContact O-CB 3.39Å; Q524-A600 PolarHBondContact O-N 2.88Å; Q524-W601 HydrophobicContact CB-CD2 4.18Å; Q524-W601 HydrophobicContact CB-CG 4.41Å; Q524-W601 HydrophobicContact CB-CZ2 4.07Å
525	V	93.7	Very high	88.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.2	-177.8	-65.6	0	0	0	0	112.2	L519 R542 G543 V545 V557 L597 T598	L519-V525 HydrophobicContact CD2-CG1 3.58Å; V525-R542 WeakPolarHBondContact O-CA 3.48Å; V525-G543 PolarHBondContact N-O 3.06Å; V525-G543 PolarHBondContact O-N 3.38Å; V525-V545 HydrophobicContact CG1-CG2 3.97Å; V525-V545 HydrophobicContact CG2-CG2 4.32Å; V525-V557 HydrophobicContact CG2-CB 4.49Å; V525-V557 HydrophobicContact CG2-CG1 3.55Å; V525-V557 HydrophobicContact CG2-CG2 4.05Å; V525-L597 HydrophobicContact CB-CD2 4.25Å; V525-L597 HydrophobicContact CG2-CD1 4.45Å; V525-L597 HydrophobicContact CG2-CD2 4.09Å; V525-T598 CarbonylContact C-O 3.58Å; V525-T598 VanDerWaalsContact CA-O 3.29Å; V525-T598 WeakPolarHBondContact CA-O 3.47Å
526	M	91	Very high	87.5	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.4	173.8	179.3	178.6	66	0	0	109.8	L528 A541 R542 L597 T598 A600 I603 I611	M526-L528 HydrophobicContact CE-CD2 4.32Å; M526-A541 WeakPolarHBondContact CA-O 3.11Å; M526-R542 PolarHBondContact SD-NH1 2.86Å; M526-L597 WeakPolarHBondContact O-CA 3.43Å; M526-T598 HydrophobicContact CB-CG2 4.22Å; M526-T598 HydrophobicContact CE-CG2 3.77Å; M526-T598 PolarHBondContact N-O 3.24Å; M526-T598 PolarHBondContact O-N 2.93Å; M526-T598 VanDerWaalsContact O-N 3.08Å; M526-A600 HydrophobicContact CB-CB 3.81Å; M526-I603 HydrophobicContact CE-CG2 4.37Å; M526-I611 HydrophobicContact CE-CD1 3.89Å; M526-I611 HydrophobicContact SD-CD1 4.25Å; M526-I611 HydrophobicContact SD-CG2 4.4Å
527	L	89.9	Confident	87	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.9	176.2	-165.3	68.5	0	0	0	111	R529 L531 L537 N539 G540 A541 F559 P596 L597	L527-R529 WeakPolarHBondContact CD2-O 3.27Å; L527-R529 VanDerWaalsContact CG-O 3.26Å; L527-R529 WeakPolarHBondContact CG-O 3.37Å; L527-L531 HydrophobicContact CD1-CD1 3.72Å; L527-L531 HydrophobicContact CD1-CG 4.16Å; L527-L531 HydrophobicContact CD2-CD1 4.2Å; L527-L531 HydrophobicContact CD2-CG 4.1Å; L527-L537 HydrophobicContact CD2-CB 4.12Å; L527-N539 WeakPolarHBondContact O-CA 3.49Å; L527-N539 PolarHBondContact O-OD1 3.22Å; L527-G540 PolarHBondContact O-N 3.08Å; L527-A541 HydrophobicContact CB-CB 4.28Å; L527-A541 PolarHBondContact N-O 3.47Å; L527-F559 HydrophobicContact CB-CE1 3.92Å; L527-F559 HydrophobicContact CB-CZ 4.41Å; L527-F559 HydrophobicContact CD1-CE1 4.49Å; L527-F559 HydrophobicContact CD1-CZ 4.13Å; L527-P596 CarbonylContact C-O 3.54Å; L527-P596 WeakPolarHBondContact CA-O 3.44Å; L527-P596 HydrophobicContact CD1-CB 4.25Å; L527-P596 HydrophobicContact CD1-CG 4.03Å; L527-L597 HydrophobicContact CD1-CD2 4.15Å
528	L	86.9	Confident	86.2	Confident	20 Å²	20	42 Å²	42	11%	0.105	24%	0.235	C	C	.	.			trans	-96.6	-8	-175.8	-63.5	175.4	0	0	0	114.1	P512 A513 M526 N539 P596 T598	P512-L528 HydrophobicContact CB-CD1 4.49Å; P512-L528 HydrophobicContact CB-CD2 4.48Å; A513-L528 HydrophobicContact CB-CD1 4.13Å; M526-L528 HydrophobicContact CE-CD2 4.32Å; L528-N539 PolarHBondContact O-OD1 3.13Å; L528-P596 PolarHBondContact N-O 2.91Å; L528-T598 HydrophobicContact CD2-CG2 3.74Å; L528-T598 HydrophobicContact CG-CG2 4.38Å
529	R	80.8	Confident	85.5	Confident	93 Å²	93	41.6 Å²	41.6	35%	0.351	23%	0.233	S	C	.	.	S	Bend	trans	-136.8	152	-174.9	-161.9	179	-168.4	150.6	10.9	109.5	L527 L531 N539 E577 K578 P596	L527-R529 WeakPolarHBondContact CD2-O 3.27Å; L527-R529 VanDerWaalsContact CG-O 3.26Å; L527-R529 WeakPolarHBondContact CG-O 3.37Å; R529-L531 PolarHBondContact O-N 3.24Å; R529-N539 PolarHBondContact O-N 3.2Å; R529-E577 WeakPolarHBondContact CD-OE2 3.49Å; R529-E577 IonicContact CZ-OE2 2.84Å; R529-E577 IonicContact NE-OE2 2.76Å; R529-E577 IonicContact NH1-OE2 3.71Å; R529-E577 PolarHBondContact NH1-OE2 2.92Å; R529-K578 PolarHBondContact NH1-O 2.85Å; R529-P596 HydrophobicContact CB-CB 4.25Å
530	N	79.6	Confident	84.7	Confident	79 Å²	79	41.9 Å²	41.9	42%	0.422	24%	0.236	S	C	.	.			trans	-75.4	116.9	164.3	-62.3	-22.5	0	0	0	107.9	V538 N539	N530-V538 WeakPolarHBondContact OD1-CA 3.19Å; N530-N539 PolarHBondContact OD1-N 3.44Å
531	L	82.2	Confident	84.2	Confident	53 Å²	53	40.9 Å²	40.9	28%	0.277	23%	0.233	S	C	.	.	S	Bend	trans	-95.7	-59	173.4	-62.5	-178.7	0	0	0	109.8	L527 R529 L537 E577 P596	L527-L531 HydrophobicContact CD1-CD1 3.72Å; L527-L531 HydrophobicContact CD1-CG 4.16Å; L527-L531 HydrophobicContact CD2-CD1 4.2Å; L527-L531 HydrophobicContact CD2-CG 4.1Å; R529-L531 PolarHBondContact O-N 3.24Å; L531-L537 HydrophobicContact CB-CB 4.3Å; L531-L537 PolarHBondContact N-O 2.86Å; L531-E577 HydrophobicContact CD2-CG 4.11Å; L531-P596 HydrophobicContact CD1-CG 4.43Å; L531-P596 HydrophobicContact CD2-CG 4.5Å
532	D	79.3	Confident	84	Confident	52 Å²	52	38.2 Å²	38.2	28%	0.278	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-137.2	105.9	176.8	-176	-9.6	0	0	0	110.2	S534 R535 G536 L537	D532-S534 VanDerWaalsContact C-N 3.29Å; D532-S534 PolarHBondContact O-N 2.84Å; D532-S534 WeakPolarHBondContact OD1-CA 3.28Å; D532-S534 WeakPolarHBondContact OD1-CB 3.48Å; D532-S534 PolarHBondContact OD1-N 2.84Å; D532-S534 PolarHBondContact OD1-OG 2.86Å; D532-S534 PolarHBondContact OD2-OG 2.95Å; D532-R535 HydrophobicContact CB-CB 4.27Å; D532-R535 PolarHBondContact OD1-N 2.99Å; D532-R535 WeakPolarHBondContact OD2-CD 3.48Å; D532-R535 WeakPolarHBondContact OD2-CG 3.47Å; D532-G536 PolarHBondContact O-N 2.81Å; D532-L537 HydrophobicContact CB-CB 4.37Å; D532-L537 HydrophobicContact CB-CD1 4.46Å; D532-L537 PolarHBondContact N-O 2.9Å; D532-L537 WeakPolarHBondContact O-CA 3.25Å; D532-L537 PolarHBondContact O-N 3.23Å
533	T	77.1	Confident	83.9	Confident	97 Å²	97	36.8 Å²	36.8	60%	0.595	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.4	-179.6	-53.1	0	0	0	0	112.4	G536 V538	T533-G536 PolarHBondContact O-N 3.08Å; T533-V538 HydrophobicContact CG2-CG1 4.1Å
534	S	74.4	Confident	83.8	Confident	110 Å²	110	38.2 Å²	38.2	77%	0.769	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.4	177.9	74.2	0	0	0	0	111.5	D532 G536	D532-S534 VanDerWaalsContact C-N 3.29Å; D532-S534 PolarHBondContact O-N 2.84Å; D532-S534 WeakPolarHBondContact OD1-CA 3.28Å; D532-S534 WeakPolarHBondContact OD1-CB 3.48Å; D532-S534 PolarHBondContact OD1-N 2.84Å; D532-S534 PolarHBondContact OD1-OG 2.86Å; D532-S534 PolarHBondContact OD2-OG 2.95Å; S534-G536 VanDerWaalsContact C-N 3.26Å; S534-G536 PolarHBondContact O-N 3.03Å
535	R	78.4	Confident	83.8	Confident	108 Å²	108	38 Å²	38	41%	0.408	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-3.4	171.2	-67.9	175.3	67.6	-178.7	0.9	113.8	D532 L537 I570 L571	D532-R535 HydrophobicContact CB-CB 4.27Å; D532-R535 PolarHBondContact OD1-N 2.99Å; D532-R535 WeakPolarHBondContact OD2-CD 3.48Å; D532-R535 WeakPolarHBondContact OD2-CG 3.47Å; R535-L537 VanDerWaalsContact C-N 3.3Å; R535-L537 HydrophobicContact CB-CG 4.33Å; R535-L537 PolarHBondContact O-N 3.11Å; R535-I570 HydrophobicContact CB-CD1 4.41Å; R535-I570 WeakPolarHBondContact O-CD1 3.4Å; R535-L571 PolarHBondContact NH2-O 3.04Å
536	G	73.9	Confident	83.8	Confident	17 Å²	17	41.3 Å²	41.3	18%	0.175	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	14	-176.8	0	0	0	0	0	115.1	D532 T533 S534 V538	D532-G536 PolarHBondContact O-N 2.81Å; T533-G536 PolarHBondContact O-N 3.08Å; S534-G536 VanDerWaalsContact C-N 3.26Å; S534-G536 PolarHBondContact O-N 3.03Å; G536-V538 PolarHBondContact O-N 2.77Å
537	L	83.3	Confident	83.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-76.8	72.8	170.3	-61.5	178.3	0	0	0	109.8	L527 L531 D532 R535 F559 H572	L527-L537 HydrophobicContact CD2-CB 4.12Å; L531-L537 HydrophobicContact CB-CB 4.3Å; L531-L537 PolarHBondContact N-O 2.86Å; D532-L537 HydrophobicContact CB-CB 4.37Å; D532-L537 HydrophobicContact CB-CD1 4.46Å; D532-L537 PolarHBondContact N-O 2.9Å; D532-L537 WeakPolarHBondContact O-CA 3.25Å; D532-L537 PolarHBondContact O-N 3.23Å; R535-L537 VanDerWaalsContact C-N 3.3Å; R535-L537 HydrophobicContact CB-CG 4.33Å; R535-L537 PolarHBondContact O-N 3.11Å; L537-F559 HydrophobicContact CD2-CB 3.81Å; L537-F559 HydrophobicContact CD2-CD1 4.46Å; L537-F559 HydrophobicContact CD2-CD2 3.48Å; L537-F559 VanDerWaalsContact CD2-CD2 3.48Å; L537-F559 HydrophobicContact CD2-CE2 4.13Å; L537-F559 HydrophobicContact CD2-CG 3.66Å; L537-H572 HydrophobicContact CD1-CB 4.16Å
538	V	78.6	Confident	84	Confident	48 Å²	48	47.5 Å²	47.5	29%	0.291	25%	0.251	S	S	.	.			trans	-107.9	158.8	-176.5	-61.5	0	0	0	0	112.3	N530 T533 G536 G540 A541	N530-V538 WeakPolarHBondContact OD1-CA 3.19Å; T533-V538 HydrophobicContact CG2-CG1 4.1Å; G536-V538 PolarHBondContact O-N 2.77Å; V538-G540 PolarHBondContact O-N 3.39Å; V538-A541 WeakPolarHBondContact O-CB 3.18Å; V538-A541 PolarHBondContact O-N 3.07Å
539	N	80.3	Confident	84.1	Confident	56 Å²	56	47.9 Å²	47.9	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	123.4	171.7	-177.9	11.9	0	0	0	110.1	L527 L528 R529 N530	L527-N539 WeakPolarHBondContact O-CA 3.49Å; L527-N539 PolarHBondContact O-OD1 3.22Å; L528-N539 PolarHBondContact O-OD1 3.13Å; R529-N539 PolarHBondContact O-N 3.2Å; N530-N539 PolarHBondContact OD1-N 3.44Å
540	G	80	Confident	84.2	Confident	7 Å²	7	50.8 Å²	50.8	7%	0.072	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-16.1	-171	0	0	0	0	0	114.9	L527 V538 R542	L527-G540 PolarHBondContact O-N 3.08Å; V538-G540 PolarHBondContact O-N 3.39Å; G540-R542 WeakPolarHBondContact O-CD 3.25Å; G540-R542 PolarHBondContact O-N 2.96Å
541	A	84.1	Confident	84.4	Confident	6 Å²	6	54.2 Å²	54.2	5%	0.05	29%	0.294	C	S	.	.			trans	-58.8	130.3	178.8	0	0	0	0	0	110.9	M526 L527 V538 F559	M526-A541 WeakPolarHBondContact CA-O 3.11Å; L527-A541 HydrophobicContact CB-CB 4.28Å; L527-A541 PolarHBondContact N-O 3.47Å; V538-A541 WeakPolarHBondContact O-CB 3.18Å; V538-A541 PolarHBondContact O-N 3.07Å; A541-F559 HydrophobicContact CB-CD1 4.14Å
542	R	88.8	Confident	84.5	Confident	17 Å²	17	55.6 Å²	55.6	6%	0.064	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.1	-178.8	-49.6	-61.4	-88.1	-155.9	-2.5	109.7	V462 T465 V525 M526 G540 F559 Y560 A600	V462-R542 HydrophobicContact CG1-CB 4.02Å; T465-R542 PolarHBondContact OG1-NE 2.83Å; T465-R542 PolarHBondContact OG1-NH2 2.95Å; V525-R542 WeakPolarHBondContact O-CA 3.48Å; M526-R542 PolarHBondContact SD-NH1 2.86Å; G540-R542 WeakPolarHBondContact O-CD 3.25Å; G540-R542 PolarHBondContact O-N 2.96Å; R542-F559 WeakPolarHBondContact O-CA 3.4Å; R542-Y560 PolarHBondContact O-N 2.63Å; R542-A600 VanDerWaalsContact CZ-CB 3.45Å; R542-A600 VanDerWaalsContact NH2-CA 3.31Å; R542-A600 VanDerWaalsContact NH2-CB 3.32Å; R542-A600 PolarHBondContact NH2-O 3.35Å
543	G	90.3	Very high	84.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	173.9	176.6	0	0	0	0	0	112.5	Q524 V525 R558	Q524-G543 WeakPolarHBondContact CA-O 3.3Å; V525-G543 PolarHBondContact N-O 3.06Å; V525-G543 PolarHBondContact O-N 3.38Å; G543-R558 CarbonylContact C-O 3.45Å; G543-R558 WeakPolarHBondContact CA-O 3.09Å
544	V	93.2	Very high	85.6	Confident	29 Å²	29	50.4 Å²	50.4	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.2	176.2	-178.2	0	0	0	0	108.3	A523 E546 V557 R558	A523-V544 WeakPolarHBondContact O-CA 3.33Å; V544-E546 PolarHBondContact O-N 2.78Å; V544-V557 WeakPolarHBondContact O-CA 3.41Å; V544-R558 PolarHBondContact N-O 3.17Å; V544-R558 PolarHBondContact O-N 2.67Å
545	V	94.7	Very high	86.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	111.3	173.2	179.9	0	0	0	0	108.3	L519 G522 A523 V525 I548 P555 V557	L519-V545 HydrophobicContact CD1-CG2 4.41Å; L519-V545 HydrophobicContact CD2-CG2 4.46Å; G522-V545 PolarHBondContact N-O 2.81Å; A523-V545 HydrophobicContact CB-CG2 4.19Å; A523-V545 PolarHBondContact O-N 3.36Å; V525-V545 HydrophobicContact CG1-CG2 3.97Å; V525-V545 HydrophobicContact CG2-CG2 4.32Å; V545-I548 HydrophobicContact CG1-CD1 4.48Å; V545-I548 HydrophobicContact CG1-CG1 3.91Å; V545-P555 HydrophobicContact CG1-CB 4.28Å; V545-V557 HydrophobicContact CG2-CG2 4.15Å
546	E	92.2	Very high	87.3	Confident	68 Å²	68	41.7 Å²	41.7	32%	0.318	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-35.8	-179.7	-60.2	-155.1	126.6	0	0	112	V521 V544 E556 R558 L571	V521-E546 VanDerWaalsContact CG1-O 3.32Å; V521-E546 WeakPolarHBondContact CG1-O 3.3Å; V544-E546 PolarHBondContact O-N 2.78Å; E546-E556 PolarHBondContact N-O 2.83Å; E546-R558 VanDerWaalsContact CD-CB 3.48Å; E546-R558 VanDerWaalsContact CD-CZ 3.48Å; E546-R558 VanDerWaalsContact CD-NH2 3.28Å; E546-R558 HydrophobicContact CG-CB 3.76Å; E546-R558 WeakPolarHBondContact OE1-CD 3.33Å; E546-R558 IonicContact OE1-CZ 3.14Å; E546-R558 IonicContact OE1-NE 2.82Å; E546-R558 PolarHBondContact OE1-NE 3.09Å; E546-R558 IonicContact OE1-NH1 2.86Å; E546-R558 IonicContact OE1-NH2 2.72Å; E546-R558 PolarHBondContact OE1-NH2 3.04Å; E546-R558 VanDerWaalsContact OE1-NH2 3.08Å; E546-R558 IonicContact OE2-CZ 3.75Å; E546-R558 IonicContact OE2-NE 3.07Å; E546-R558 PolarHBondContact OE2-NE 3.42Å; E546-R558 IonicContact OE2-NH2 3.84Å; E546-R558 PolarHBondContact OE2-NH2 2.93Å; E546-L571 WeakPolarHBondContact OE2-CD1 3.2Å
547	K	93.2	Very high	88.2	Confident	109 Å²	109	40.9 Å²	40.9	47%	0.474	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	149.2	-179.4	-173	-179.8	176.8	-167.5	0	109.1	E556	K547-E556 HydrophobicContact CB-CB 4.17Å; K547-E556 PolarHBondContact N-O 3.29Å; K547-E556 PolarHBondContact O-N 3.48Å
548	I	92.7	Very high	88.7	Confident	26 Å²	26	44.8 Å²	44.8	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.6	161.8	-61.8	174.9	0	0	0	104.7	K490 Y492 L519 V545 N550 P555	K490-I548 HydrophobicContact CB-CD1 3.84Å; K490-I548 HydrophobicContact CG-CG2 4.47Å; Y492-I548 WeakPolarHBondContact OH-CG2 3.3Å; L519-I548 HydrophobicContact CB-CD1 4.46Å; V545-I548 HydrophobicContact CG1-CD1 4.48Å; V545-I548 HydrophobicContact CG1-CG1 3.91Å; I548-N550 PolarHBondContact O-N 3.35Å; I548-P555 HydrophobicContact CG1-CB 4.48Å
549	N	89.1	Confident	89.2	Confident	29 Å²	29	42.5 Å²	42.5	16%	0.155	22%	0.221	C	C	.	.			trans	-71.7	126.8	-178.3	-179.9	-41.9	0	0	0	108.6	D551 T552 G553 L554	N549-D551 WeakPolarHBondContact OD1-CB 3.17Å; N549-D551 PolarHBondContact OD1-N 2.92Å; N549-D551 PolarHBondContact OD1-OD2 3.37Å; N549-T552 WeakPolarHBondContact CB-OG1 3.48Å; N549-T552 VanDerWaalsContact CG-OG1 3.29Å; N549-T552 PolarHBondContact OD1-N 3.3Å; N549-T552 VanDerWaalsContact OD1-N 3.16Å; N549-T552 PolarHBondContact OD1-OG1 3.5Å; N549-G553 CarbonylContact O-C 3.53Å; N549-G553 WeakPolarHBondContact O-CA 3.12Å; N549-G553 PolarHBondContact O-N 2.98Å; N549-L554 PolarHBondContact N-O 2.7Å
550	N	83	Confident	89.3	Confident	153 Å²	153	41.6 Å²	41.6	82%	0.818	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-34.6	-176.6	-72.2	-20.2	0	0	0	112.3	I548	I548-N550 PolarHBondContact O-N 3.35Å
551	D	82.7	Confident	88.8	Confident	152 Å²	152	41.9 Å²	41.9	81%	0.813	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-43.3	-172.9	-43.1	-43.9	0	0	0	111.2	N549	N549-D551 WeakPolarHBondContact OD1-CB 3.17Å; N549-D551 PolarHBondContact OD1-N 2.92Å; N549-D551 PolarHBondContact OD1-OD2 3.37Å
552	T	85.8	Confident	87.7	Confident	82 Å²	82	44.6 Å²	44.6	50%	0.503	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-16.7	179.2	59.3	0	0	0	0	113.5	N549 L554	N549-T552 WeakPolarHBondContact CB-OG1 3.48Å; N549-T552 VanDerWaalsContact CG-OG1 3.29Å; N549-T552 PolarHBondContact OD1-N 3.3Å; N549-T552 VanDerWaalsContact OD1-N 3.16Å; N549-T552 PolarHBondContact OD1-OG1 3.5Å; T552-L554 PolarHBondContact O-N 3.37Å; T552-L554 PolarHBondContact OG1-N 2.93Å
553	G	87.4	Confident	86.1	Confident	15 Å²	15	53.7 Å²	53.7	16%	0.155	28%	0.277	C	S	.	.			trans	70.1	0.5	-170.9	0	0	0	0	0	114.9	Y492 N549	Y492-G553 WeakPolarHBondContact CE1-O 3.49Å; Y492-G553 PolarHBondContact OH-O 3.47Å; N549-G553 CarbonylContact O-C 3.53Å; N549-G553 WeakPolarHBondContact O-CA 3.12Å; N549-G553 PolarHBondContact O-N 2.98Å
554	L	92.1	Very high	84.2	Confident	25 Å²	25	55 Å²	55	13%	0.131	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-87.1	146.9	-172.7	-62.8	175.4	0	0	0	112.8	N549 T552 V573 Q575 V576 L595	N549-L554 PolarHBondContact N-O 2.7Å; T552-L554 PolarHBondContact O-N 3.37Å; T552-L554 PolarHBondContact OG1-N 2.93Å; L554-V573 HydrophobicContact CB-CG1 4.05Å; L554-V573 HydrophobicContact CD1-CG1 4.21Å; L554-Q575 VanDerWaalsContact CD1-OE1 3.25Å; L554-V576 HydrophobicContact CD2-CG2 4.37Å; L554-L595 HydrophobicContact CD2-CD2 4.32Å
555	P	93.8	Very high	82.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.1	177.1	32.2	-31.4	0	0	0	112.4	L519 V545 I548 V557 V574 L595 L597	L519-P555 HydrophobicContact CD1-CB 4.22Å; L519-P555 HydrophobicContact CD1-CG 4.12Å; V545-P555 HydrophobicContact CG1-CB 4.28Å; I548-P555 HydrophobicContact CG1-CB 4.48Å; P555-V557 HydrophobicContact CB-CG2 4.35Å; P555-V574 HydrophobicContact CG-CB 4.35Å; P555-V574 PolarHBondContact O-N 3.33Å; P555-L595 HydrophobicContact CG-CD1 3.76Å; P555-L595 HydrophobicContact CG-CD2 4.3Å; P555-L597 HydrophobicContact CG-CD1 4.14Å
556	E	94.3	Very high	80.2	Confident	34 Å²	34	68.5 Å²	68.5	16%	0.159	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.7	164.9	-77.6	165.6	-139.3	0	0	108.8	E546 K547 L571 V573	E546-E556 PolarHBondContact N-O 2.83Å; K547-E556 HydrophobicContact CB-CB 4.17Å; K547-E556 PolarHBondContact N-O 3.29Å; K547-E556 PolarHBondContact O-N 3.48Å; E556-L571 HydrophobicContact CB-CD1 4.16Å; E556-V573 HydrophobicContact CG-CG2 3.81Å
557	V	93.5	Very high	78.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	-176.2	-178.8	0	0	0	0	109.5	V525 V544 V545 P555 F559 H572 V574 L597	V525-V557 HydrophobicContact CG2-CB 4.49Å; V525-V557 HydrophobicContact CG2-CG1 3.55Å; V525-V557 HydrophobicContact CG2-CG2 4.05Å; V544-V557 WeakPolarHBondContact O-CA 3.41Å; V545-V557 HydrophobicContact CG2-CG2 4.15Å; P555-V557 HydrophobicContact CB-CG2 4.35Å; V557-F559 HydrophobicContact CB-CD2 4.2Å; V557-F559 HydrophobicContact CB-CE2 3.61Å; V557-F559 HydrophobicContact CB-CZ 3.92Å; V557-F559 HydrophobicContact CG1-CD1 4.24Å; V557-F559 HydrophobicContact CG1-CD2 3.91Å; V557-F559 HydrophobicContact CG1-CE1 3.88Å; V557-F559 HydrophobicContact CG1-CE2 3.55Å; V557-F559 HydrophobicContact CG1-CG 4.26Å; V557-F559 HydrophobicContact CG1-CZ 3.53Å; V557-H572 PolarHBondContact N-O 2.85Å; V557-H572 PolarHBondContact O-N 2.78Å; V557-V574 HydrophobicContact CB-CG2 3.98Å; V557-V574 HydrophobicContact CG2-CG2 3.74Å; V557-L597 HydrophobicContact CG2-CD1 4.15Å
558	R	92.5	Very high	77.3	Confident	83 Å²	83	69.4 Å²	69.4	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.3	168.9	-172.1	174.3	-62.4	-173.1	15.8	109.2	G543 V544 E546 Y560 I570 L571	G543-R558 CarbonylContact C-O 3.45Å; G543-R558 WeakPolarHBondContact CA-O 3.09Å; V544-R558 PolarHBondContact N-O 3.17Å; V544-R558 PolarHBondContact O-N 2.67Å; E546-R558 VanDerWaalsContact CD-CB 3.48Å; E546-R558 VanDerWaalsContact CD-CZ 3.48Å; E546-R558 VanDerWaalsContact CD-NH2 3.28Å; E546-R558 HydrophobicContact CG-CB 3.76Å; E546-R558 WeakPolarHBondContact OE1-CD 3.33Å; E546-R558 IonicContact OE1-CZ 3.14Å; E546-R558 IonicContact OE1-NE 2.82Å; E546-R558 PolarHBondContact OE1-NE 3.09Å; E546-R558 IonicContact OE1-NH1 2.86Å; E546-R558 IonicContact OE1-NH2 2.72Å; E546-R558 PolarHBondContact OE1-NH2 3.04Å; E546-R558 VanDerWaalsContact OE1-NH2 3.08Å; E546-R558 IonicContact OE2-CZ 3.75Å; E546-R558 IonicContact OE2-NE 3.07Å; E546-R558 PolarHBondContact OE2-NE 3.42Å; E546-R558 IonicContact OE2-NH2 3.84Å; E546-R558 PolarHBondContact OE2-NH2 2.93Å; R558-Y560 HydrophobicContact CB-CE2 4.34Å; R558-Y560 WeakPolarHBondContact CD-OH 3.46Å; R558-Y560 HydrophobicContact CG-CE1 4.45Å; R558-Y560 HydrophobicContact CG-CE2 4.03Å; R558-Y560 WeakPolarHBondContact O-CD2 3.32Å; R558-Y560 WeakPolarHBondContact O-CE2 3.45Å; R558-I570 WeakPolarHBondContact CA-O 3.46Å; R558-L571 HydrophobicContact CB-CD1 4.4Å
559	F	88.7	Confident	76.6	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.9	177.1	-68.3	-84.4	0	0	0	111.4	L527 L537 A541 R542 V557 P561 G569 I570 H572 V574 L597	L527-F559 HydrophobicContact CB-CE1 3.92Å; L527-F559 HydrophobicContact CB-CZ 4.41Å; L527-F559 HydrophobicContact CD1-CE1 4.49Å; L527-F559 HydrophobicContact CD1-CZ 4.13Å; L537-F559 HydrophobicContact CD2-CB 3.81Å; L537-F559 HydrophobicContact CD2-CD1 4.46Å; L537-F559 HydrophobicContact CD2-CD2 3.48Å; L537-F559 VanDerWaalsContact CD2-CD2 3.48Å; L537-F559 HydrophobicContact CD2-CE2 4.13Å; L537-F559 HydrophobicContact CD2-CG 3.66Å; A541-F559 HydrophobicContact CB-CD1 4.14Å; R542-F559 WeakPolarHBondContact O-CA 3.4Å; V557-F559 HydrophobicContact CB-CD2 4.2Å; V557-F559 HydrophobicContact CB-CE2 3.61Å; V557-F559 HydrophobicContact CB-CZ 3.92Å; V557-F559 HydrophobicContact CG1-CD1 4.24Å; V557-F559 HydrophobicContact CG1-CD2 3.91Å; V557-F559 HydrophobicContact CG1-CE1 3.88Å; V557-F559 HydrophobicContact CG1-CE2 3.55Å; V557-F559 HydrophobicContact CG1-CG 4.26Å; V557-F559 HydrophobicContact CG1-CZ 3.53Å; F559-P561 WeakPolarHBondContact O-CD 3.38Å; F559-G569 CarbonylContact O-C 3.53Å; F559-G569 VanDerWaalsContact O-CA 3.25Å; F559-G569 WeakPolarHBondContact O-CA 3.23Å; F559-I570 PolarHBondContact N-O 2.84Å; F559-I570 PolarHBondContact O-N 2.83Å; F559-H572 HydrophobicContact CD2-CB 4.21Å; F559-H572 HydrophobicContact CE2-CB 4.21Å; F559-V574 HydrophobicContact CE2-CG2 3.94Å; F559-V574 HydrophobicContact CZ-CG2 4.08Å; F559-L597 HydrophobicContact CZ-CD2 4.1Å
560	Y	82.4	Confident	76.5	Confident	38 Å²	38	69.2 Å²	69.2	15%	0.149	37%	0.374	C	S	.	.			trans	-122.5	86.8	179.3	-60	-95.9	0	0	0	108.9	K461 V462 R542 R558	K461-Y560 HydrophobicContact CB-CE1 4.09Å; K461-Y560 HydrophobicContact CD-CE1 3.79Å; V462-Y560 HydrophobicContact CG2-CD1 4.48Å; V462-Y560 HydrophobicContact CG2-CD2 3.19Å; V462-Y560 HydrophobicContact CG2-CE2 3.65Å; V462-Y560 HydrophobicContact CG2-CG 3.66Å; R542-Y560 PolarHBondContact O-N 2.63Å; R558-Y560 HydrophobicContact CB-CE2 4.34Å; R558-Y560 WeakPolarHBondContact CD-OH 3.46Å; R558-Y560 HydrophobicContact CG-CE1 4.45Å; R558-Y560 HydrophobicContact CG-CE2 4.03Å; R558-Y560 WeakPolarHBondContact O-CD2 3.32Å; R558-Y560 WeakPolarHBondContact O-CE2 3.45Å
561	P	70.5	Confident	76.8	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.078	35%	0.354	C	S	.	.			trans	-85.3	142.9	173.4	33	-32	0	0	0	110.8	F559 K563 A564 I570	F559-P561 WeakPolarHBondContact O-CD 3.38Å; P561-K563 PolarHBondContact O-N 2.71Å; P561-A564 HydrophobicContact CG-CB 4.06Å; P561-A564 PolarHBondContact O-N 3Å; P561-I570 HydrophobicContact CG-CD1 3.84Å
562	A	61	Low	77.2	Confident	64 Å²	64	60.4 Å²	60.4	53%	0.529	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	1.2	-178.9	0	0	0	0	0	116.7	E614	A562-E614 HydrophobicContact CB-CG 4.21Å; A562-E614 WeakPolarHBondContact CB-OE1 3.2Å; A562-E614 VanDerWaalsContact N-CD 3.28Å; A562-E614 PolarHBondContact N-OE1 3.21Å; A562-E614 PolarHBondContact N-OE2 3.46Å; A562-E614 VanDerWaalsContact N-OE2 3.09Å
563	K	54.7	Low	77.6	Confident	207 Å²	207	59.1 Å²	59.1	90%	0.9	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-14.5	171.5	-72.6	-166	173.6	-167.1	0	113.7	P561	P561-K563 PolarHBondContact O-N 2.71Å
564	A	51.6	Low	77.8	Confident	28 Å²	28	58.4 Å²	58.4	23%	0.231	31%	0.309	C	S	.	.	S	Bend	trans	-85.5	135.6	169	0	0	0	0	0	108.2	P561 E566	P561-A564 HydrophobicContact CG-CB 4.06Å; P561-A564 PolarHBondContact O-N 3Å; A564-E566 PolarHBondContact O-N 2.98Å
565	N	50.4	Low	77.8	Confident	131 Å²	131	62 Å²	62	70%	0.701	33%	0.325	S	S	*	.			trans	-53.5	133	170	-67.4	-14.5	0	0	0	108.6	S567 N568	N565-S567 PolarHBondContact O-N 3.45Å; N565-N568 PolarHBondContact O-N 3.43Å
566	E	53.5	Low	77.8	Confident	182 Å²	182	65.7 Å²	65.7	85%	0.85	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.1	-169.1	-59.2	-176.4	148.7	0	0	114.4	A564	A564-E566 PolarHBondContact O-N 2.98Å
567	S	56.4	Low	77.6	Confident	71 Å²	71	66.5 Å²	66.5	50%	0.497	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-47.3	170	35.3	0	0	0	0	113.6	K461 N565	K461-S567 PolarHBondContact NZ-O 2.88Å; N565-S567 PolarHBondContact O-N 3.45Å
568	N	67.8	Low	77.3	Confident	125 Å²	125	70.8 Å²	70.8	67%	0.668	37%	0.37	S	S	*	.			trans	-113.1	84.4	-168.4	-75.6	-0.5	0	0	0	112.9	N565	N565-N568 PolarHBondContact O-N 3.43Å
569	G	78.4	Confident	76.8	Confident	17 Å²	17	67.9 Å²	67.9	18%	0.175	36%	0.359	C	S	.	.			trans	-64.8	155.1	166.8	0	0	0	0	0	112.6	F559	F559-G569 CarbonylContact O-C 3.53Å; F559-G569 VanDerWaalsContact O-CA 3.25Å; F559-G569 WeakPolarHBondContact O-CA 3.23Å
570	I	85.3	Confident	76.3	Confident	34 Å²	34	70.9 Å²	70.9	17%	0.174	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.7	-174.9	-58.1	177.3	0	0	0	109.4	R535 R558 F559 P561	R535-I570 HydrophobicContact CB-CD1 4.41Å; R535-I570 WeakPolarHBondContact O-CD1 3.4Å; R558-I570 WeakPolarHBondContact CA-O 3.46Å; F559-I570 PolarHBondContact N-O 2.84Å; F559-I570 PolarHBondContact O-N 2.83Å; P561-I570 HydrophobicContact CG-CD1 3.84Å
571	L	90	Very high	75.9	Confident	78 Å²	78	70.3 Å²	70.3	41%	0.408	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.7	171.7	-168.6	60.1	0	0	0	110.7	R535 E546 E556 R558	R535-L571 PolarHBondContact NH2-O 3.04Å; E546-L571 WeakPolarHBondContact OE2-CD1 3.2Å; E556-L571 HydrophobicContact CB-CD1 4.16Å; R558-L571 HydrophobicContact CB-CD1 4.4Å
572	H	91.6	Very high	75.7	Confident	42 Å²	42	71.8 Å²	71.8	19%	0.194	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	127.5	178.1	-173.2	60	0	0	0	110.9	L537 V557 F559 V574	L537-H572 HydrophobicContact CD1-CB 4.16Å; V557-H572 PolarHBondContact N-O 2.85Å; V557-H572 PolarHBondContact O-N 2.78Å; F559-H572 HydrophobicContact CD2-CB 4.21Å; F559-H572 HydrophobicContact CE2-CB 4.21Å; H572-V574 PolarHBondContact O-N 3.25Å
573	V	93.1	Very high	75.9	Confident	55 Å²	55	68.9 Å²	68.9	33%	0.333	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.8	168.3	-175.9	0	0	0	0	107.5	L554 E556 Q575	L554-V573 HydrophobicContact CB-CG1 4.05Å; L554-V573 HydrophobicContact CD1-CG1 4.21Å; E556-V573 HydrophobicContact CG-CG2 3.81Å; V573-Q575 PolarHBondContact O-N 2.8Å
574	V	93	Very high	76.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-83.1	118.2	-175.2	-177.1	0	0	0	0	109.9	P555 V557 F559 H572 L595 P596 L597	P555-V574 HydrophobicContact CG-CB 4.35Å; P555-V574 PolarHBondContact O-N 3.33Å; V557-V574 HydrophobicContact CB-CG2 3.98Å; V557-V574 HydrophobicContact CG2-CG2 3.74Å; F559-V574 HydrophobicContact CE2-CG2 3.94Å; F559-V574 HydrophobicContact CZ-CG2 4.08Å; H572-V574 PolarHBondContact O-N 3.25Å; V574-L595 HydrophobicContact CG1-CD2 4.33Å; V574-L595 WeakPolarHBondContact O-CD2 3.28Å; V574-P596 HydrophobicContact CG1-CG 3.74Å; V574-L597 HydrophobicContact CB-CD1 4.23Å; V574-L597 HydrophobicContact CG1-CD1 4.01Å; V574-L597 HydrophobicContact CG1-CD2 4.27Å; V574-L597 HydrophobicContact CG1-CG 3.99Å; V574-L597 HydrophobicContact CG2-CD1 4.27Å; V574-L597 HydrophobicContact CG2-CD2 4.41Å
575	Q	92.2	Very high	76.9	Confident	101 Å²	101	64.9 Å²	64.9	47%	0.472	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-84.1	162.3	179.1	-62.1	-60.7	-34.4	0	0	112.3	L554 V573 P596	L554-Q575 VanDerWaalsContact CD1-OE1 3.25Å; V573-Q575 PolarHBondContact O-N 2.8Å; Q575-P596 WeakPolarHBondContact O-CD 3.42Å
576	V	92.7	Very high	77.5	Confident	78 Å²	78	61.8 Å²	61.8	47%	0.473	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-74.2	128.9	170.9	176.5	0	0	0	0	109.4	L554 C593 L595	L554-V576 HydrophobicContact CD2-CG2 4.37Å; V576-C593 HydrophobicContact CG1-CB 3.97Å; V576-L595 HydrophobicContact CG2-CD2 4.11Å
577	E	89.9	Confident	78.2	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.238	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.2	-179.1	-80	-71.3	148.6	0	0	110.8	R529 L531 W579 C593 Q594 P596	R529-E577 WeakPolarHBondContact CD-OE2 3.49Å; R529-E577 IonicContact CZ-OE2 2.84Å; R529-E577 IonicContact NE-OE2 2.76Å; R529-E577 IonicContact NH1-OE2 3.71Å; R529-E577 PolarHBondContact NH1-OE2 2.92Å; L531-E577 HydrophobicContact CD2-CG 4.11Å; E577-W579 HydrophobicContact CB-CH2 3.61Å; E577-W579 HydrophobicContact CB-CZ2 4.08Å; E577-W579 HydrophobicContact CB-CZ3 3.89Å; E577-W579 WeakPolarHBondContact O-CZ3 3.44Å; E577-C593 WeakPolarHBondContact O-CA 3.4Å; E577-Q594 PolarHBondContact N-O 2.79Å; E577-Q594 PolarHBondContact O-N 3.45Å; E577-Q594 VanDerWaalsContact O-N 3.09Å; E577-P596 HydrophobicContact CB-CB 4.29Å; E577-P596 HydrophobicContact CB-CG 4.37Å; E577-P596 HydrophobicContact CG-CB 4Å; E577-P596 HydrophobicContact CG-CG 3.75Å
578	K	87	Confident	79.1	Confident	89 Å²	89	59.8 Å²	59.8	39%	0.387	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.7	172.8	-169.6	-179.5	-172.7	-164.7	0	110.6	R529 T580 E588 S591	R529-K578 PolarHBondContact NH1-O 2.85Å; K578-T580 HydrophobicContact CD-CG2 4.19Å; K578-T580 HydrophobicContact CG-CG2 4.27Å; K578-E588 WeakPolarHBondContact CE-OE1 3.42Å; K578-E588 IonicContact NZ-OE1 2.67Å; K578-E588 PolarHBondContact NZ-OE1 2.67Å; K578-E588 IonicContact NZ-OE2 2.8Å; K578-E588 PolarHBondContact NZ-OE2 2.67Å; K578-S591 WeakPolarHBondContact CE-OG 3.47Å
579	W	82.3	Confident	79.6	Confident	23 Å²	23	58 Å²	58	9%	0.087	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.7	163.5	-65.3	-96.2	0	0	0	109.2	A513 E577 S591 R592 Q594 P596	A513-W579 HydrophobicContact CB-CD2 4.21Å; A513-W579 HydrophobicContact CB-CE3 3.95Å; A513-W579 HydrophobicContact CB-CH2 3.66Å; A513-W579 HydrophobicContact CB-CZ2 3.89Å; A513-W579 HydrophobicContact CB-CZ3 3.68Å; E577-W579 HydrophobicContact CB-CH2 3.61Å; E577-W579 HydrophobicContact CB-CZ2 4.08Å; E577-W579 HydrophobicContact CB-CZ3 3.89Å; E577-W579 WeakPolarHBondContact O-CZ3 3.44Å; W579-S591 CarbonylContact O-C 3.17Å; W579-S591 WeakPolarHBondContact O-CA 3.4Å; W579-S591 WeakPolarHBondContact O-CB 3.35Å; W579-R592 PolarHBondContact N-O 2.67Å; W579-R592 PolarHBondContact O-N 2.84Å; W579-Q594 WeakPolarHBondContact CH2-O 3.48Å; W579-Q594 HydrophobicContact CZ3-CB 3.82Å; W579-Q594 WeakPolarHBondContact CZ3-O 3.42Å; W579-P596 HydrophobicContact CH2-CB 3.84Å; W579-P596 HydrophobicContact CZ2-CB 3.82Å
580	T	77.7	Confident	79.8	Confident	62 Å²	62	57.2 Å²	57.2	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.1	175.2	53.1	0	0	0	0	110	K578 C582 E588	K578-T580 HydrophobicContact CD-CG2 4.19Å; K578-T580 HydrophobicContact CG-CG2 4.27Å; T580-C582 PolarHBondContact O-N 3.02Å; T580-E588 HydrophobicContact CG2-CG 4.16Å; T580-E588 VanDerWaalsContact CG2-OE2 3.3Å; T580-E588 WeakPolarHBondContact CG2-OE2 3.48Å
581	I	74.4	Confident	79.9	Confident	27 Å²	27	55.6 Å²	55.6	14%	0.138	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	101.1	169.7	-59.4	179.8	0	0	0	107.2	I507 I589 A590	I507-I581 HydrophobicContact CB-CD1 4.03Å; I507-I581 HydrophobicContact CG1-CD1 3.75Å; I507-I581 HydrophobicContact CG2-CD1 4.21Å; I581-I589 PolarHBondContact O-N 3.13Å; I581-I589 VanDerWaalsContact O-N 3.08Å; I581-A590 HydrophobicContact CB-CB 4.43Å; I581-A590 PolarHBondContact N-O 3.32Å
582	C	67	Low	79.9	Confident	43 Å²	43	52 Å²	52	29%	0.291	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.7	176.3	-68.6	0	0	0	0	110.7	L283 T580 E587	L283-C582 HydrophobicContact CD2-CB 4.05Å; L283-C582 WeakPolarHBondContact CD2-O 3.33Å; T580-C582 PolarHBondContact O-N 3.02Å; C582-E587 CarbonylContact C-O 3.44Å; C582-E587 WeakPolarHBondContact CA-O 3.15Å
583	G	65.7	Low	79.9	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.031	28%	0.278	C	S	.	.			trans	-69.1	176.4	159	0	0	0	0	0	111.8	N585 A586 E587	G583-N585 PolarHBondContact O-N 2.9Å; G583-N585 VanDerWaalsContact O-N 3.13Å; G583-A586 PolarHBondContact O-N 3.08Å; G583-E587 PolarHBondContact N-O 2.94Å
584	V	64.2	Low	79.9	Confident	44 Å²	44	48.9 Å²	48.9	27%	0.267	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.6	-168.7	-143.2	0	0	0	0	113.9	L283 F288 R326	L283-V584 HydrophobicContact CD1-CG1 4.07Å; F288-V584 HydrophobicContact CD2-CG1 3.67Å; F288-V584 HydrophobicContact CE2-CG1 4.15Å; R326-V584 VanDerWaalsContact CD-CG1 3.43Å
585	N	62.3	Low	80	Confident	107 Å²	107	48.9 Å²	48.9	57%	0.572	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	15.4	172.7	-50.8	-37.8	0	0	0	113.1	G583 E587	G583-N585 PolarHBondContact O-N 2.9Å; G583-N585 VanDerWaalsContact O-N 3.13Å; N585-E587 VanDerWaalsContact C-N 3.26Å; N585-E587 HydrophobicContact CB-CG 4.1Å; N585-E587 VanDerWaalsContact CB-OE1 3.26Å; N585-E587 WeakPolarHBondContact CB-OE1 3.32Å; N585-E587 PolarHBondContact ND2-OE1 2.88Å; N585-E587 PolarHBondContact O-N 2.81Å
586	A	62.6	Low	80	Confident	66 Å²	66	44 Å²	44	55%	0.545	24%	0.241	S	C	.	.	S	Bend	trans	63.9	22.8	-172.3	0	0	0	0	0	115.4	G583	G583-A586 PolarHBondContact O-N 3.08Å
587	E	69.2	Low	80.1	Confident	118 Å²	118	40.3 Å²	40.3	55%	0.551	22%	0.218	S	C	*	.			trans	-75.2	142.8	167.8	-57.2	170.2	-126	0	0	109.7	C582 G583 N585 I589	C582-E587 CarbonylContact C-O 3.44Å; C582-E587 WeakPolarHBondContact CA-O 3.15Å; G583-E587 PolarHBondContact N-O 2.94Å; N585-E587 VanDerWaalsContact C-N 3.26Å; N585-E587 HydrophobicContact CB-CG 4.1Å; N585-E587 VanDerWaalsContact CB-OE1 3.26Å; N585-E587 WeakPolarHBondContact CB-OE1 3.32Å; N585-E587 PolarHBondContact ND2-OE1 2.88Å; N585-E587 PolarHBondContact O-N 2.81Å; E587-I589 PolarHBondContact O-N 2.87Å
588	E	74.3	Confident	80.2	Confident	93 Å²	93	39.3 Å²	39.3	44%	0.435	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	102.1	173.3	-171.6	-178.6	138.9	0	0	109.3	K578 T580 S591	K578-E588 WeakPolarHBondContact CE-OE1 3.42Å; K578-E588 IonicContact NZ-OE1 2.67Å; K578-E588 PolarHBondContact NZ-OE1 2.67Å; K578-E588 IonicContact NZ-OE2 2.8Å; K578-E588 PolarHBondContact NZ-OE2 2.67Å; T580-E588 HydrophobicContact CG2-CG 4.16Å; T580-E588 VanDerWaalsContact CG2-OE2 3.3Å; T580-E588 WeakPolarHBondContact CG2-OE2 3.48Å; E588-S591 WeakPolarHBondContact OE1-CB 3.01Å; E588-S591 PolarHBondContact OE1-OG 3.1Å
589	I	78.2	Confident	80.6	Confident	86 Å²	86	36.1 Å²	36.1	44%	0.441	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-39.5	175.6	-68.1	-178.8	0	0	0	110.2	G498 I503 I581 E587	G498-I589 WeakPolarHBondContact CA-O 3.22Å; I503-I589 HydrophobicContact CD1-CG2 4.08Å; I581-I589 PolarHBondContact O-N 3.13Å; I581-I589 VanDerWaalsContact O-N 3.08Å; E587-I589 PolarHBondContact O-N 2.87Å
590	A	83.8	Confident	81.1	Confident	2 Å²	2	35 Å²	35	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161.6	179.3	0	0	0	0	0	110.7	N497 I503 I507 I581	N497-A590 CarbonylContact O-C 3.52Å; N497-A590 WeakPolarHBondContact O-CA 3.39Å; N497-A590 VanDerWaalsContact O-CB 3.25Å; N497-A590 WeakPolarHBondContact O-CB 3.3Å; I503-A590 HydrophobicContact CD1-CB 3.86Å; I503-A590 HydrophobicContact CG1-CB 3.8Å; I507-A590 HydrophobicContact CD1-CB 4.08Å; I507-A590 HydrophobicContact CG1-CB 4.04Å; I581-A590 HydrophobicContact CB-CB 4.43Å; I581-A590 PolarHBondContact N-O 3.32Å
591	S	86.3	Confident	81.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.6	166.7	48.2	0	0	0	0	112.3	D496 N497 K578 W579 E588	D496-S591 CarbonylContact C-O 3.5Å; D496-S591 WeakPolarHBondContact CA-O 3.41Å; N497-S591 PolarHBondContact N-O 2.76Å; N497-S591 PolarHBondContact O-N 2.8Å; K578-S591 WeakPolarHBondContact CE-OG 3.47Å; W579-S591 CarbonylContact O-C 3.17Å; W579-S591 WeakPolarHBondContact O-CA 3.4Å; W579-S591 WeakPolarHBondContact O-CB 3.35Å; E588-S591 WeakPolarHBondContact OE1-CB 3.01Å; E588-S591 PolarHBondContact OE1-OG 3.1Å
592	R	89.4	Confident	82.7	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.1	169.3	173.5	163.1	-71.1	168.7	1.2	108.3	S494 D496 I507 D508 A513 W579 Q594	S494-R592 PolarHBondContact OG-NE 3.18Å; D496-R592 WeakPolarHBondContact OD1-CG 3.48Å; D496-R592 IonicContact OD1-CZ 3.96Å; D496-R592 IonicContact OD1-NE 2.71Å; D496-R592 PolarHBondContact OD1-NE 2.96Å; D496-R592 IonicContact OD1-NH2 3.66Å; D496-R592 IonicContact OD2-CZ 3.84Å; D496-R592 IonicContact OD2-NE 3.74Å; D496-R592 PolarHBondContact OD2-NE 3.18Å; D496-R592 IonicContact OD2-NH2 2.65Å; D496-R592 PolarHBondContact OD2-NH2 2.91Å; I507-R592 HydrophobicContact CG2-CB 3.91Å; I507-R592 VanDerWaalsContact CG2-CZ 3.42Å; D508-R592 IonicContact OD1-CZ 2.83Å; D508-R592 IonicContact OD1-NH1 3.25Å; D508-R592 PolarHBondContact OD1-NH1 2.72Å; D508-R592 IonicContact OD1-NH2 2.71Å; D508-R592 PolarHBondContact OD1-NH2 2.86Å; A513-R592 WeakPolarHBondContact O-CD 3.44Å; A513-R592 PolarHBondContact O-NH1 3.32Å; W579-R592 PolarHBondContact N-O 2.67Å; W579-R592 PolarHBondContact O-N 2.84Å; R592-Q594 HydrophobicContact CG-CB 4.06Å
593	C	92.2	Very high	83.8	Confident	25 Å²	25	29.9 Å²	29.9	17%	0.169	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120	165.7	-63.7	0	0	0	0	108.4	S494 Q495 V576 E577	S494-C593 WeakPolarHBondContact CA-O 3.34Å; S494-C593 WeakPolarHBondContact CB-O 3.29Å; Q495-C593 HydrophobicContact CB-CB 4.21Å; Q495-C593 PolarHBondContact N-O 3.4Å; Q495-C593 PolarHBondContact O-N 3.27Å; V576-C593 HydrophobicContact CG1-CB 3.97Å; E577-C593 WeakPolarHBondContact O-CA 3.4Å
594	Q	94.1	Very high	85	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.3	-176.4	-179	57.8	-67.9	0	0	110.3	Y492 A513 P514 E577 W579 R592	Y492-Q594 PolarHBondContact O-NE2 3.36Å; A513-Q594 HydrophobicContact CB-CB 4.2Å; A513-Q594 HydrophobicContact CB-CG 4.12Å; P514-Q594 WeakPolarHBondContact O-CG 3.42Å; P514-Q594 PolarHBondContact O-NE2 2.74Å; E577-Q594 PolarHBondContact N-O 2.79Å; E577-Q594 PolarHBondContact O-N 3.45Å; E577-Q594 VanDerWaalsContact O-N 3.09Å; W579-Q594 WeakPolarHBondContact CH2-O 3.48Å; W579-Q594 HydrophobicContact CZ3-CB 3.82Å; W579-Q594 WeakPolarHBondContact CZ3-O 3.42Å; R592-Q594 HydrophobicContact CG-CB 4.06Å
595	L	94.3	Very high	86.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.			trans	-62.7	136.8	167	-66	172	0	0	0	110.6	Y492 L517 L519 L554 P555 V574 V576 L597	Y492-L595 HydrophobicContact CD1-CD1 3.53Å; Y492-L595 HydrophobicContact CD1-CG 4.3Å; Y492-L595 HydrophobicContact CD2-CD1 3.91Å; Y492-L595 HydrophobicContact CE1-CD1 3.71Å; Y492-L595 HydrophobicContact CE2-CD1 4.07Å; Y492-L595 HydrophobicContact CG-CD1 3.63Å; L517-L595 HydrophobicContact CD2-CB 4.15Å; L517-L595 HydrophobicContact CD2-CD1 4.25Å; L519-L595 HydrophobicContact CD1-CD1 4.27Å; L554-L595 HydrophobicContact CD2-CD2 4.32Å; P555-L595 HydrophobicContact CG-CD1 3.76Å; P555-L595 HydrophobicContact CG-CD2 4.3Å; V574-L595 HydrophobicContact CG1-CD2 4.33Å; V574-L595 WeakPolarHBondContact O-CD2 3.28Å; V576-L595 HydrophobicContact CG2-CD2 4.11Å; L595-L597 HydrophobicContact CB-CB 4.49Å; L595-L597 HydrophobicContact CB-CG 4.45Å; L595-L597 PolarHBondContact O-N 2.93Å
596	P	92.1	Very high	87.2	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-75.1	41.4	177.8	33.6	-39	0	0	0	112.8	L527 L528 R529 L531 V574 Q575 E577 W579	L527-P596 CarbonylContact C-O 3.54Å; L527-P596 WeakPolarHBondContact CA-O 3.44Å; L527-P596 HydrophobicContact CD1-CB 4.25Å; L527-P596 HydrophobicContact CD1-CG 4.03Å; L528-P596 PolarHBondContact N-O 2.91Å; R529-P596 HydrophobicContact CB-CB 4.25Å; L531-P596 HydrophobicContact CD1-CG 4.43Å; L531-P596 HydrophobicContact CD2-CG 4.5Å; V574-P596 HydrophobicContact CG1-CG 3.74Å; Q575-P596 WeakPolarHBondContact O-CD 3.42Å; E577-P596 HydrophobicContact CB-CB 4.29Å; E577-P596 HydrophobicContact CB-CG 4.37Å; E577-P596 HydrophobicContact CG-CB 4Å; E577-P596 HydrophobicContact CG-CG 3.75Å; W579-P596 HydrophobicContact CH2-CB 3.84Å; W579-P596 HydrophobicContact CZ2-CB 3.82Å
597	L	94.2	Very high	88	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.8	-173.5	-61.6	177.4	0	0	0	111.4	L517 L519 V525 M526 L527 P555 V557 F559 V574 L595	L517-L597 HydrophobicContact CD2-CB 3.83Å; L519-L597 HydrophobicContact CD1-CD1 4.3Å; V525-L597 HydrophobicContact CB-CD2 4.25Å; V525-L597 HydrophobicContact CG2-CD1 4.45Å; V525-L597 HydrophobicContact CG2-CD2 4.09Å; M526-L597 WeakPolarHBondContact O-CA 3.43Å; L527-L597 HydrophobicContact CD1-CD2 4.15Å; P555-L597 HydrophobicContact CG-CD1 4.14Å; V557-L597 HydrophobicContact CG2-CD1 4.15Å; F559-L597 HydrophobicContact CZ-CD2 4.1Å; V574-L597 HydrophobicContact CB-CD1 4.23Å; V574-L597 HydrophobicContact CG1-CD1 4.01Å; V574-L597 HydrophobicContact CG1-CD2 4.27Å; V574-L597 HydrophobicContact CG1-CG 3.99Å; V574-L597 HydrophobicContact CG2-CD1 4.27Å; V574-L597 HydrophobicContact CG2-CD2 4.41Å; L595-L597 HydrophobicContact CB-CB 4.49Å; L595-L597 HydrophobicContact CB-CG 4.45Å; L595-L597 PolarHBondContact O-N 2.93Å
598	T	93.3	Very high	88.7	Confident	30 Å²	30	21.8 Å²	21.8	18%	0.184	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.3	164.6	-161.5	0	0	0	0	110	V525 M526 L528	V525-T598 CarbonylContact C-O 3.58Å; V525-T598 VanDerWaalsContact CA-O 3.29Å; V525-T598 WeakPolarHBondContact CA-O 3.47Å; M526-T598 HydrophobicContact CB-CG2 4.22Å; M526-T598 HydrophobicContact CE-CG2 3.77Å; M526-T598 PolarHBondContact N-O 3.24Å; M526-T598 PolarHBondContact O-N 2.93Å; M526-T598 VanDerWaalsContact O-N 3.08Å; L528-T598 HydrophobicContact CD2-CG2 3.74Å; L528-T598 HydrophobicContact CG-CG2 4.38Å
599	L	94.6	Very high	88.9	Confident	22 Å²	22	18.5 Å²	18.5	12%	0.115	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	145.1	176	-66.8	-179.8	0	0	0	110.9	N478 L482 L519 W601	N478-L599 HydrophobicContact CB-CB 4Å; N478-L599 HydrophobicContact CB-CD1 4.01Å; L482-L599 HydrophobicContact CD2-CD1 4.12Å; L519-L599 HydrophobicContact CD2-CD2 4Å; L599-W601 HydrophobicContact CD1-CZ3 4.4Å; L599-W601 HydrophobicContact CD2-CZ3 3.88Å
600	A	92.5	Very high	88.6	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.			trans	-140.7	36.2	-159.2	0	0	0	0	0	113.1	Q524 M526 R542	Q524-A600 HydrophobicContact CG-CB 4.04Å; Q524-A600 WeakPolarHBondContact CG-O 3.39Å; Q524-A600 PolarHBondContact NE2-O 2.84Å; Q524-A600 WeakPolarHBondContact O-CB 3.39Å; Q524-A600 PolarHBondContact O-N 2.88Å; M526-A600 HydrophobicContact CB-CB 3.81Å; R542-A600 VanDerWaalsContact CZ-CB 3.45Å; R542-A600 VanDerWaalsContact NH2-CA 3.31Å; R542-A600 VanDerWaalsContact NH2-CB 3.32Å; R542-A600 PolarHBondContact NH2-O 3.35Å
601	W	92.7	Very high	88.3	Confident	14 Å²	14	16.8 Å²	16.8	5%	0.053	9%	0.091	C	C	.	.	S	Bend	trans	-89	-42.1	159.6	-63.1	-74.3	0	0	0	110.8	R466 N478 K481 L482 L485 A523 Q524 L599	R466-W601 WeakPolarHBondContact CB-O 3.32Å; R466-W601 PolarHBondContact N-O 3.22Å; N478-W601 HydrophobicContact CB-CE3 4.48Å; N478-W601 PolarHBondContact OD1-N 3.36Å; K481-W601 HydrophobicContact CB-CB 4.2Å; K481-W601 HydrophobicContact CB-CD2 3.4Å; K481-W601 VanDerWaalsContact CB-CD2 3.4Å; K481-W601 HydrophobicContact CB-CE3 3.66Å; K481-W601 HydrophobicContact CB-CG 3.65Å; K481-W601 HydrophobicContact CB-CH2 4.43Å; K481-W601 HydrophobicContact CB-CZ2 4.26Å; K481-W601 HydrophobicContact CB-CZ3 4.17Å; K481-W601 HydrophobicContact CG-CB 4.08Å; K481-W601 HydrophobicContact CG-CD2 4.18Å; K481-W601 HydrophobicContact CG-CG 3.87Å; L482-W601 HydrophobicContact CB-CH2 4.27Å; L482-W601 HydrophobicContact CB-CZ3 3.97Å; L482-W601 HydrophobicContact CD1-CH2 4.11Å; L482-W601 HydrophobicContact CD1-CZ3 4.33Å; L485-W601 HydrophobicContact CD1-CH2 3.73Å; L485-W601 HydrophobicContact CD1-CZ2 3.76Å; A523-W601 HydrophobicContact CB-CH2 3.83Å; A523-W601 HydrophobicContact CB-CZ2 4.44Å; Q524-W601 HydrophobicContact CB-CD2 4.18Å; Q524-W601 HydrophobicContact CB-CG 4.41Å; Q524-W601 HydrophobicContact CB-CZ2 4.07Å; L599-W601 HydrophobicContact CD1-CZ3 4.4Å; L599-W601 HydrophobicContact CD2-CZ3 3.88Å
602	A	92.8	Very high	88	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.3	173	0	0	0	0	0	112.9	R466 A474 W477 N478	R466-A602 HydrophobicContact CB-CB 4.09Å; R466-A602 CarbonylContact O-C 3.49Å; R466-A602 WeakPolarHBondContact O-CA 3.48Å; A474-A602 HydrophobicContact CB-CB 3.86Å; W477-A602 HydrophobicContact CB-CB 3.97Å; W477-A602 HydrophobicContact CG-CB 4.07Å; N478-A602 PolarHBondContact ND2-O 2.82Å; N478-A602 PolarHBondContact OD1-N 3.15Å; N478-A602 PolarHBondContact OD1-O 3.2Å
603	I	91.4	Very high	87.7	Confident	10 Å²	10	18.7 Å²	18.7	5%	0.051	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157	164.7	64	176.4	0	0	0	109.2	T465 R466 L467 C468 M526	T465-I603 HydrophobicContact CG2-CD1 4.23Å; T465-I603 HydrophobicContact CG2-CG1 4Å; R466-I603 PolarHBondContact O-N 3.44Å; L467-I603 WeakPolarHBondContact CA-O 3.45Å; L467-I603 HydrophobicContact CD2-CD1 3.78Å; L467-I603 HydrophobicContact CD2-CG1 3.3Å; C468-I603 PolarHBondContact N-O 2.92Å; M526-I603 HydrophobicContact CE-CG2 4.37Å
604	S	90.3	Very high	87	Confident	7 Å²	7	21 Å²	21	5%	0.049	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	149.1	173.3	66.5	0	0	0	0	111.7	C468 H606 K607 S608	C468-S604 CarbonylContact O-C 3.57Å; C468-S604 VanDerWaalsContact O-CA 3.22Å; C468-S604 WeakPolarHBondContact O-CA 3.34Å; S604-H606 PolarHBondContact O-N 3.37Å; S604-K607 PolarHBondContact O-N 3.43Å; S604-K607 WeakPolarHBondContact OG-CG 3.38Å; S604-K607 PolarHBondContact OG-N 2.84Å; S604-S608 PolarHBondContact O-N 3.09Å
605	I	89.4	Confident	86.5	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.3	176.1	-66.4	166.8	0	0	0	110.5	L467 C468 T469 K607 S608 Q609 L620 Q628 V631 A632	L467-I605 HydrophobicContact CB-CG1 4.07Å; C468-I605 WeakPolarHBondContact O-CG1 3.14Å; C468-I605 PolarHBondContact O-N 3Å; T469-I605 HydrophobicContact CG2-CD1 3.86Å; I605-K607 PolarHBondContact O-N 2.82Å; I605-S608 WeakPolarHBondContact O-CB 3.03Å; I605-S608 PolarHBondContact O-N 3.45Å; I605-S608 PolarHBondContact O-OG 3.35Å; I605-Q609 PolarHBondContact O-N 3.02Å; I605-L620 HydrophobicContact CD1-CD2 4.07Å; I605-Q628 HydrophobicContact CB-CG 4.42Å; I605-Q628 HydrophobicContact CD1-CG 3.9Å; I605-Q628 HydrophobicContact CG2-CG 4.03Å; I605-V631 HydrophobicContact CG2-CB 4.15Å; I605-V631 HydrophobicContact CG2-CG1 3.93Å; I605-A632 HydrophobicContact CD1-CB 3.88Å; I605-A632 HydrophobicContact CG1-CB 3.92Å; I605-A632 HydrophobicContact CG2-CB 4.2Å
606	H	82.4	Confident	86.2	Confident	65 Å²	65	22.7 Å²	22.7	30%	0.301	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-55.1	-46.8	172.9	-68.6	88.5	0	0	0	112.9	L383 S604 S608 Q609	L383-H606 HydrophobicContact CD1-CB 4.46Å; S604-H606 PolarHBondContact O-N 3.37Å; H606-S608 VanDerWaalsContact C-N 3.26Å; H606-S608 PolarHBondContact O-N 3.08Å; H606-Q609 PolarHBondContact O-N 3.14Å
607	K	80.2	Confident	86.1	Confident	96 Å²	96	24 Å²	24	42%	0.417	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-70.1	-19.9	175.9	-77.3	-177.5	175.2	-179.3	0	113.3	S604 I605 Q609 I611	S604-K607 PolarHBondContact O-N 3.43Å; S604-K607 WeakPolarHBondContact OG-CG 3.38Å; S604-K607 PolarHBondContact OG-N 2.84Å; I605-K607 PolarHBondContact O-N 2.82Å; K607-Q609 VanDerWaalsContact C-N 3.32Å; K607-I611 VanDerWaalsContact O-CD1 3.32Å; K607-I611 WeakPolarHBondContact O-CD1 3.19Å
608	S	84.3	Confident	85.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-79.4	-9.7	178	82.4	0	0	0	0	114.1	S604 I605 H606 I611 R635	S604-S608 PolarHBondContact O-N 3.09Å; I605-S608 WeakPolarHBondContact O-CB 3.03Å; I605-S608 PolarHBondContact O-N 3.45Å; I605-S608 PolarHBondContact O-OG 3.35Å; H606-S608 VanDerWaalsContact C-N 3.26Å; H606-S608 PolarHBondContact O-N 3.08Å; S608-I611 WeakPolarHBondContact O-CB 3.43Å; S608-I611 PolarHBondContact O-N 3.13Å; S608-I611 VanDerWaalsContact O-N 3.1Å; S608-R635 WeakPolarHBondContact O-CD 3.32Å; S608-R635 PolarHBondContact O-NH1 2.84Å
609	Q	78.8	Confident	85.7	Confident	24 Å²	24	23.5 Å²	23.5	11%	0.112	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	144	176.6	-165.5	167.9	-3.9	0	0	110.7	E337 M340 I605 H606 K607 I611	E337-Q609 PolarHBondContact OE1-NE2 3.03Å; E337-Q609 VanDerWaalsContact OE1-NE2 3.09Å; E337-Q609 PolarHBondContact OE2-NE2 3.26Å; M340-Q609 PolarHBondContact SD-OE1 2.99Å; M340-Q609 VanDerWaalsContact SD-OE1 3.38Å; I605-Q609 PolarHBondContact O-N 3.02Å; H606-Q609 PolarHBondContact O-N 3.14Å; K607-Q609 VanDerWaalsContact C-N 3.32Å; Q609-I611 PolarHBondContact O-N 3.07Å
610	G	71.3	Confident	85.2	Confident	31 Å²	31	22.5 Å²	22.5	32%	0.32	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-36.7	-166.4	0	0	0	0	0	116.4	R418	R418-G610 PolarHBondContact NH2-O 3.07Å
611	I	78.1	Confident	84.7	Confident	20 Å²	20	25.9 Å²	25.9	10%	0.103	15%	0.147	C	C	.	.			trans	-66.9	148.5	-176.6	-51.2	-176.2	0	0	0	111.2	M526 K607 S608 Q609 L613	M526-I611 HydrophobicContact CE-CD1 3.89Å; M526-I611 HydrophobicContact SD-CD1 4.25Å; M526-I611 HydrophobicContact SD-CG2 4.4Å; K607-I611 VanDerWaalsContact O-CD1 3.32Å; K607-I611 WeakPolarHBondContact O-CD1 3.19Å; S608-I611 WeakPolarHBondContact O-CB 3.43Å; S608-I611 PolarHBondContact O-N 3.13Å; S608-I611 VanDerWaalsContact O-N 3.1Å; Q609-I611 PolarHBondContact O-N 3.07Å; I611-L613 HydrophobicContact CG2-CD2 4.06Å; I611-L613 HydrophobicContact CG2-CG 4.41Å
612	T	80.4	Confident	84.3	Confident	43 Å²	43	30.1 Å²	30.1	26%	0.264	17%	0.166	S	C	.	.			trans	-114.6	129.5	168.1	-55.8	0	0	0	0	107.9	R418 R637	R418-T612 HydrophobicContact CG-CG2 3.86Å; R418-T612 PolarHBondContact NE-OG1 3.41Å; T612-R637 HydrophobicContact CG2-CG 3.82Å
613	L	81.8	Confident	83.9	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-110	144.5	-179.9	-64.8	173.8	0	0	0	109.8	T465 L467 I611 A616 R635 C636	T465-L613 HydrophobicContact CG2-CD1 3.84Å; T465-L613 HydrophobicContact CG2-CD2 4.33Å; L467-L613 HydrophobicContact CD1-CD1 4.22Å; L467-L613 HydrophobicContact CD2-CD1 3.89Å; L467-L613 HydrophobicContact CG-CD1 4.31Å; I611-L613 HydrophobicContact CG2-CD2 4.06Å; I611-L613 HydrophobicContact CG2-CG 4.41Å; L613-A616 HydrophobicContact CB-CB 4.44Å; L613-A616 HydrophobicContact CD1-CB 4.02Å; L613-R635 HydrophobicContact CB-CB 4.46Å; L613-R635 HydrophobicContact CD1-CB 4.17Å; L613-R635 HydrophobicContact CG-CB 4.36Å; L613-R635 PolarHBondContact N-O 3.45Å; L613-C636 WeakPolarHBondContact O-CA 3.47Å
614	E	78.3	Confident	83.6	Confident	72 Å²	72	35.2 Å²	35.2	34%	0.336	19%	0.189	S	C	.	.	S	Bend	trans	-85.1	-40	178	-60	-174.4	169.9	0	0	110.6	A562 R637 A641	A562-E614 HydrophobicContact CB-CG 4.21Å; A562-E614 WeakPolarHBondContact CB-OE1 3.2Å; A562-E614 VanDerWaalsContact N-CD 3.28Å; A562-E614 PolarHBondContact N-OE1 3.21Å; A562-E614 PolarHBondContact N-OE2 3.46Å; A562-E614 VanDerWaalsContact N-OE2 3.09Å; E614-R637 IonicContact OE1-NH1 3.27Å; E614-A641 WeakPolarHBondContact O-CB 3.35Å
615	C	82.6	Confident	83.3	Confident	41 Å²	41	37.9 Å²	37.9	28%	0.277	20%	0.2	S	C	.	.	S	Bend	trans	-141	127.7	176.4	-175.6	0	0	0	0	110.6	A464 T465 A641	A464-C615 VanDerWaalsContact CB-SG 3.59Å; T465-C615 PolarHBondContact N-O 2.84Å; T465-C615 VanDerWaalsContact N-O 3.1Å; T465-C615 PolarHBondContact OG1-O 3.32Å; C615-A641 WeakPolarHBondContact CA-O 3.45Å; C615-A641 HydrophobicContact CB-CB 4.38Å
616	A	88.1	Confident	83.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.1	-178.6	0	0	0	0	0	113	T465 L613 L618 C636 A641 L642 Y643	T465-A616 CarbonylContact O-C 3.53Å; T465-A616 VanDerWaalsContact O-CA 3.32Å; T465-A616 WeakPolarHBondContact O-CA 3.42Å; L613-A616 HydrophobicContact CB-CB 4.44Å; L613-A616 HydrophobicContact CD1-CB 4.02Å; A616-L618 HydrophobicContact CB-CD2 4.05Å; A616-C636 VanDerWaalsContact CB-SG 3.54Å; A616-A641 PolarHBondContact N-O 2.78Å; A616-L642 WeakPolarHBondContact O-CA 3.08Å; A616-Y643 PolarHBondContact O-N 2.86Å
617	E	90.5	Very high	83.5	Confident	29 Å²	29	36.3 Å²	36.3	14%	0.136	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.4	176.6	176.7	-170.3	-139.8	0	0	106.9	A464 T465 R466 L467 Y643 L645	A464-E617 HydrophobicContact CB-CB 4.08Å; T465-E617 PolarHBondContact O-N 2.97Å; R466-E617 CarbonylContact C-O 3.56Å; R466-E617 VanDerWaalsContact CA-O 3.23Å; R466-E617 WeakPolarHBondContact CA-O 3.42Å; R466-E617 IonicContact CZ-OE1 4Å; R466-E617 IonicContact CZ-OE2 3.46Å; R466-E617 IonicContact NE-OE1 3.41Å; R466-E617 IonicContact NE-OE2 3.35Å; R466-E617 PolarHBondContact NE-OE2 2.84Å; R466-E617 VanDerWaalsContact NH2-CD 3.28Å; R466-E617 IonicContact NH2-OE1 3.13Å; R466-E617 PolarHBondContact NH2-OE1 2.91Å; R466-E617 IonicContact NH2-OE2 4Å; R466-E617 PolarHBondContact NH2-OE2 3.35Å; L467-E617 PolarHBondContact N-O 3.29Å; E617-Y643 CarbonylContact C-O 3.57Å; E617-Y643 WeakPolarHBondContact CA-O 3.09Å; E617-L645 HydrophobicContact CG-CD1 3.74Å; E617-L645 HydrophobicContact CG-CD2 4.19Å; E617-L645 HydrophobicContact CG-CG 3.81Å
618	L	90.3	Very high	84	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	109.1	-168.3	-49.2	-172.5	0	0	0	110.4	L467 A616 L620 A632 L633 L642 Y643 L644 L645	L467-L618 HydrophobicContact CB-CD2 3.75Å; L467-L618 HydrophobicContact CD1-CD2 3.58Å; L467-L618 HydrophobicContact CG-CD2 3.71Å; A616-L618 HydrophobicContact CB-CD2 4.05Å; L618-L620 HydrophobicContact CB-CD1 4.07Å; L618-L620 HydrophobicContact CB-CD2 4.18Å; L618-L620 HydrophobicContact CB-CG 3.83Å; L618-L620 HydrophobicContact CD1-CD1 4.4Å; L618-L620 PolarHBondContact O-N 3.33Å; L618-A632 HydrophobicContact CD1-CB 4.24Å; L618-A632 HydrophobicContact CD2-CB 4.33Å; L618-L633 HydrophobicContact CD1-CD2 3.69Å; L618-L633 HydrophobicContact CD1-CG 4.05Å; L618-L642 HydrophobicContact CD1-CD1 4.07Å; L618-L642 HydrophobicContact CD1-CD2 4.1Å; L618-L642 HydrophobicContact CD1-CG 4.03Å; L618-L642 HydrophobicContact CG-CG 4.45Å; L618-Y643 PolarHBondContact N-O 3.39Å; L618-L644 HydrophobicContact CB-CD2 3.85Å; L618-L644 HydrophobicContact CD1-CD2 3.81Å; L618-L644 HydrophobicContact CG-CD2 4.11Å; L618-L645 PolarHBondContact O-N 2.98Å
619	A	88.4	Confident	84.3	Confident	19 Å²	19	31.9 Å²	31.9	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	88.9	173.3	0	0	0	0	0	109.1	R466 L467 L645	R466-A619 HydrophobicContact CG-CB 4.41Å; L467-A619 PolarHBondContact O-N 3.25Å; A619-L645 HydrophobicContact CB-CD1 4.38Å
620	L	84.4	Confident	85	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.			trans	-100.1	-0.7	-171.3	-61.1	-179.1	0	0	0	114.4	I605 L618 K622 V623 A632 L644 V651	I605-L620 HydrophobicContact CD1-CD2 4.07Å; L618-L620 HydrophobicContact CB-CD1 4.07Å; L618-L620 HydrophobicContact CB-CD2 4.18Å; L618-L620 HydrophobicContact CB-CG 3.83Å; L618-L620 HydrophobicContact CD1-CD1 4.4Å; L618-L620 PolarHBondContact O-N 3.33Å; L620-K622 VanDerWaalsContact C-N 3.27Å; L620-K622 PolarHBondContact O-N 3.47Å; L620-V623 HydrophobicContact CB-CG2 4.06Å; L620-V623 HydrophobicContact CD2-CG2 3.86Å; L620-V623 WeakPolarHBondContact O-CB 3.21Å; L620-V623 VanDerWaalsContact O-CG2 3.26Å; L620-V623 WeakPolarHBondContact O-CG2 3.28Å; L620-V623 PolarHBondContact O-N 2.96Å; L620-A632 HydrophobicContact CD2-CB 3.99Å; L620-L644 HydrophobicContact CD1-CD2 4.06Å; L620-V651 HydrophobicContact CB-CG2 4.49Å
621	S	82.4	Confident	85.9	Confident	71 Å²	71	29.8 Å²	29.8	50%	0.497	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.7	-179.9	49.4	0	0	0	0	114.6
622	K	84.6	Confident	86.5	Confident	104 Å²	104	28.8 Å²	28.8	45%	0.452	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	31.4	178.4	-58.8	-176.7	-169.2	173.5	0	113.3	T469 D473 L620 F624	T469-K622 VanDerWaalsContact CB-O 3.28Å; T469-K622 WeakPolarHBondContact CB-O 3.4Å; T469-K622 HydrophobicContact CG2-CB 4.46Å; T469-K622 VanDerWaalsContact CG2-O 3.25Å; T469-K622 WeakPolarHBondContact CG2-O 3.42Å; T469-K622 WeakPolarHBondContact OG1-CB 3.29Å; T469-K622 PolarHBondContact OG1-O 3.36Å; D473-K622 VanDerWaalsContact CG-NZ 3.28Å; D473-K622 IonicContact OD1-NZ 3.68Å; D473-K622 PolarHBondContact OD1-NZ 3.34Å; D473-K622 VanDerWaalsContact OD1-NZ 3.1Å; D473-K622 WeakPolarHBondContact OD2-CD 3.4Å; D473-K622 IonicContact OD2-NZ 2.79Å; D473-K622 PolarHBondContact OD2-NZ 3.07Å; L620-K622 VanDerWaalsContact C-N 3.27Å; L620-K622 PolarHBondContact O-N 3.47Å; K622-F624 PolarHBondContact O-N 3.25Å
623	V	84.2	Confident	87	Confident	18 Å²	18	26.9 Å²	26.9	11%	0.109	14%	0.143	C	C	.	.			trans	-72.5	120.3	176	164.6	0	0	0	0	110.2	T469 L620 Q628 V651	T469-V623 HydrophobicContact CG2-CB 4.41Å; T469-V623 HydrophobicContact CG2-CG2 3.69Å; L620-V623 HydrophobicContact CB-CG2 4.06Å; L620-V623 HydrophobicContact CD2-CG2 3.86Å; L620-V623 WeakPolarHBondContact O-CB 3.21Å; L620-V623 VanDerWaalsContact O-CG2 3.26Å; L620-V623 WeakPolarHBondContact O-CG2 3.28Å; L620-V623 PolarHBondContact O-N 2.96Å; V623-Q628 HydrophobicContact CG1-CB 4.22Å; V623-V651 HydrophobicContact CB-CB 4.14Å; V623-V651 HydrophobicContact CB-CG1 4.48Å; V623-V651 HydrophobicContact CG1-CB 4.2Å
624	F	84.6	Confident	87.5	Confident	98 Å²	98	26.8 Å²	26.8	43%	0.43	14%	0.143	S	C	.	.			trans	-109.9	-37	-177.6	59	-85.3	0	0	0	112.8	H470 K622 Q628 R653	H470-F624 AromaticContact CE1-CD1 3.69Å; H470-F624 AromaticContact CE1-CE1 3.44Å; H470-F624 VanDerWaalsContact CE1-CE1 3.44Å; H470-F624 WeakPolarHBondContact CE1-CE1 3.4Å; H470-F624 AromaticContact ND1-CE1 3.88Å; K622-F624 PolarHBondContact O-N 3.25Å; F624-Q628 VanDerWaalsContact N-OE1 3.1Å; F624-R653 PolarHBondContact O-NH2 3.35Å; F624-R653 VanDerWaalsContact O-NH2 3.11Å
625	E	84.7	Confident	88	Confident	63 Å²	63	23.5 Å²	23.5	29%	0.294	13%	0.128	S	C	.	.	S	Bend	trans	-91.4	150.5	-179.5	-76.8	-54.8	147.9	0	0	114.4	P384 Q628	P384-E625 HydrophobicContact CG-CB 4.29Å; P384-E625 HydrophobicContact CG-CG 4.14Å; P384-E625 VanDerWaalsContact CG-OE2 3.3Å; P384-E625 WeakPolarHBondContact CG-OE2 3.44Å; E625-Q628 HydrophobicContact CB-CB 4.18Å; E625-Q628 WeakPolarHBondContact O-CB 3.2Å
626	C	88.3	Confident	88.2	Confident	26 Å²	26	21.6 Å²	21.6	18%	0.176	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	147.5	165	-65.5	0	0	0	0	110.6	Q628 R653 D655	C626-Q628 PolarHBondContact O-N 2.76Å; C626-R653 WeakPolarHBondContact CA-O 3.44Å; C626-D655 HydrophobicContact CB-CB 4.48Å
627	G	88.3	Confident	88	Confident	6 Å²	6	26.4 Å²	26.4	6%	0.062	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-13.8	-178.8	0	0	0	0	0	115.8	F381 A629 Y630 V631 R653	F381-G627 VanDerWaalsContact O-CA 3.29Å; F381-G627 WeakPolarHBondContact O-CA 3.35Å; G627-A629 PolarHBondContact O-N 3.05Å; G627-Y630 WeakPolarHBondContact O-CB 3.36Å; G627-Y630 PolarHBondContact O-N 2.67Å; G627-Y630 VanDerWaalsContact O-N 3.14Å; G627-V631 PolarHBondContact O-N 2.84Å; G627-R653 PolarHBondContact N-O 3.29Å
628	Q	89.3	Confident	87.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-43.3	-178.9	-173	176.6	34	0	0	112.3	L383 I605 V623 F624 E625 C626 V631 A632	L383-Q628 HydrophobicContact CD2-CB 3.98Å; L383-Q628 HydrophobicContact CD2-CG 4.16Å; I605-Q628 HydrophobicContact CB-CG 4.42Å; I605-Q628 HydrophobicContact CD1-CG 3.9Å; I605-Q628 HydrophobicContact CG2-CG 4.03Å; V623-Q628 HydrophobicContact CG1-CB 4.22Å; F624-Q628 VanDerWaalsContact N-OE1 3.1Å; E625-Q628 HydrophobicContact CB-CB 4.18Å; E625-Q628 WeakPolarHBondContact O-CB 3.2Å; C626-Q628 PolarHBondContact O-N 2.76Å; Q628-V631 PolarHBondContact O-N 3.27Å; Q628-A632 PolarHBondContact O-N 2.83Å; Q628-A632 VanDerWaalsContact O-N 3.14Å
629	A	91.5	Very high	87.6	Confident	3 Å²	3	28.9 Å²	28.9	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-42.1	173.5	0	0	0	0	0	112.1	G627 V631 A632 L633 V651 I652	G627-A629 PolarHBondContact O-N 3.05Å; A629-V631 PolarHBondContact O-N 2.91Å; A629-A632 PolarHBondContact O-N 2.86Å; A629-L633 WeakPolarHBondContact O-CB 3.26Å; A629-L633 WeakPolarHBondContact O-CD1 3.12Å; A629-L633 VanDerWaalsContact O-CG 3.28Å; A629-L633 WeakPolarHBondContact O-CG 3.36Å; A629-L633 PolarHBondContact O-N 2.95Å; A629-V651 HydrophobicContact CB-CG2 4.14Å; A629-I652 HydrophobicContact CB-CG1 4.36Å
630	Y	92.6	Very high	87.4	Confident	11 Å²	11	33.4 Å²	33.4	4%	0.043	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-42.3	176.1	170.1	-116.7	0	0	0	112.4	G246 A247 F381 Q382 L429 I432 R433 G627 A632 S634	G246-Y630 WeakPolarHBondContact CA-OH 3.44Å; A247-Y630 HydrophobicContact CB-CE1 4.39Å; A247-Y630 PolarHBondContact N-OH 2.84Å; F381-Y630 WeakPolarHBondContact O-CD1 3.3Å; Q382-Y630 HydrophobicContact CG-CD1 3.96Å; Q382-Y630 HydrophobicContact CG-CE1 3.68Å; L429-Y630 HydrophobicContact CB-CE2 4.31Å; L429-Y630 HydrophobicContact CD2-CD2 4.48Å; L429-Y630 HydrophobicContact CD2-CE2 4.43Å; L429-Y630 WeakPolarHBondContact O-CE2 3.21Å; I432-Y630 HydrophobicContact CG2-CD2 4.19Å; R433-Y630 HydrophobicContact CB-CD1 4.47Å; R433-Y630 HydrophobicContact CB-CD2 3.98Å; R433-Y630 HydrophobicContact CB-CE1 4.15Å; R433-Y630 HydrophobicContact CB-CE2 3.63Å; R433-Y630 HydrophobicContact CB-CG 4.39Å; R433-Y630 HydrophobicContact CG-CD1 4.34Å; R433-Y630 HydrophobicContact CG-CE1 3.82Å; R433-Y630 HydrophobicContact CG-CE2 4.19Å; G627-Y630 WeakPolarHBondContact O-CB 3.36Å; G627-Y630 PolarHBondContact O-N 2.67Å; G627-Y630 VanDerWaalsContact O-N 3.14Å; Y630-A632 PolarHBondContact O-N 3.4Å; Y630-S634 VanDerWaalsContact O-CB 3.23Å; Y630-S634 WeakPolarHBondContact O-CB 3.34Å; Y630-S634 PolarHBondContact O-N 2.85Å; Y630-S634 PolarHBondContact O-OG 2.81Å
631	V	90.9	Very high	87.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-44	176	172.7	0	0	0	0	111	Q382 L383 I605 G627 Q628 A629 S634 R635	Q382-V631 HydrophobicContact CB-CG2 3.54Å; Q382-V631 HydrophobicContact CG-CG2 3.71Å; L383-V631 HydrophobicContact CG-CG2 4.13Å; I605-V631 HydrophobicContact CG2-CB 4.15Å; I605-V631 HydrophobicContact CG2-CG1 3.93Å; G627-V631 PolarHBondContact O-N 2.84Å; Q628-V631 PolarHBondContact O-N 3.27Å; A629-V631 PolarHBondContact O-N 2.91Å; V631-S634 PolarHBondContact O-OG 2.96Å; V631-R635 WeakPolarHBondContact O-CD 3.43Å; V631-R635 WeakPolarHBondContact O-CG 3.2Å; V631-R635 PolarHBondContact O-NE 3.14Å
632	A	91	Very high	87.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-52.4	177.4	0	0	0	0	0	112.6	L467 I605 L618 L620 Q628 A629 Y630 S634 R635	L467-A632 HydrophobicContact CD1-CB 4.19Å; I605-A632 HydrophobicContact CD1-CB 3.88Å; I605-A632 HydrophobicContact CG1-CB 3.92Å; I605-A632 HydrophobicContact CG2-CB 4.2Å; L618-A632 HydrophobicContact CD1-CB 4.24Å; L618-A632 HydrophobicContact CD2-CB 4.33Å; L620-A632 HydrophobicContact CD2-CB 3.99Å; Q628-A632 PolarHBondContact O-N 2.83Å; Q628-A632 VanDerWaalsContact O-N 3.14Å; A629-A632 PolarHBondContact O-N 2.86Å; Y630-A632 PolarHBondContact O-N 3.4Å; A632-S634 VanDerWaalsContact C-N 3.3Å; A632-S634 PolarHBondContact O-N 3.09Å; A632-R635 WeakPolarHBondContact O-CB 3.42Å; A632-R635 WeakPolarHBondContact O-CG 3.3Å; A632-R635 PolarHBondContact O-N 2.93Å
633	L	91.4	Very high	87.8	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-39.5	-180	-69.3	162.1	0	0	0	112.1	L429 I432 L445 L618 A629 R635 L642 L644 I652	L429-L633 HydrophobicContact CD2-CB 3.77Å; I432-L633 HydrophobicContact CD1-CD1 3.9Å; I432-L633 HydrophobicContact CG2-CD1 3.81Å; L445-L633 HydrophobicContact CD2-CD2 3.86Å; L618-L633 HydrophobicContact CD1-CD2 3.69Å; L618-L633 HydrophobicContact CD1-CG 4.05Å; A629-L633 WeakPolarHBondContact O-CB 3.26Å; A629-L633 WeakPolarHBondContact O-CD1 3.12Å; A629-L633 VanDerWaalsContact O-CG 3.28Å; A629-L633 WeakPolarHBondContact O-CG 3.36Å; A629-L633 PolarHBondContact O-N 2.95Å; L633-R635 PolarHBondContact O-N 3.46Å; L633-L642 HydrophobicContact CD2-CD1 3.96Å; L633-L642 HydrophobicContact CD2-CD2 4.11Å; L633-L644 HydrophobicContact CD2-CD2 4.09Å; L633-I652 HydrophobicContact CD1-CD1 4.47Å
634	S	91.5	Very high	88.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	3	-177.5	62	0	0	0	0	115.5	A247 R418 Q419 Y630 V631 A632	A247-S634 VanDerWaalsContact CB-CB 3.48Å; A247-S634 VanDerWaalsContact CB-OG 3.32Å; A247-S634 WeakPolarHBondContact CB-OG 3.42Å; R418-S634 VanDerWaalsContact CD-O 3.31Å; R418-S634 WeakPolarHBondContact CD-O 3.42Å; R418-S634 PolarHBondContact NH1-O 2.86Å; Q419-S634 PolarHBondContact NE2-O 3.4Å; Y630-S634 VanDerWaalsContact O-CB 3.23Å; Y630-S634 WeakPolarHBondContact O-CB 3.34Å; Y630-S634 PolarHBondContact O-N 2.85Å; Y630-S634 PolarHBondContact O-OG 2.81Å; V631-S634 PolarHBondContact O-OG 2.96Å; A632-S634 VanDerWaalsContact C-N 3.3Å; A632-S634 PolarHBondContact O-N 3.09Å
635	R	88.3	Confident	88.1	Confident	3 Å²	3	23.9 Å²	23.9	1%	0.011	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.6	176.4	-60	-50.1	83.8	175.5	12.4	113	L467 S608 L613 V631 A632 L633	L467-R635 HydrophobicContact CD1-CB 4.35Å; L467-R635 HydrophobicContact CD1-CG 3.83Å; S608-R635 WeakPolarHBondContact O-CD 3.32Å; S608-R635 PolarHBondContact O-NH1 2.84Å; L613-R635 HydrophobicContact CB-CB 4.46Å; L613-R635 HydrophobicContact CD1-CB 4.17Å; L613-R635 HydrophobicContact CG-CB 4.36Å; L613-R635 PolarHBondContact N-O 3.45Å; V631-R635 WeakPolarHBondContact O-CD 3.43Å; V631-R635 WeakPolarHBondContact O-CG 3.2Å; V631-R635 PolarHBondContact O-NE 3.14Å; A632-R635 WeakPolarHBondContact O-CB 3.42Å; A632-R635 WeakPolarHBondContact O-CG 3.3Å; A632-R635 PolarHBondContact O-N 2.93Å; L633-R635 PolarHBondContact O-N 3.46Å
636	C	86.2	Confident	87.9	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-77	153.8	-179.7	-69.5	0	0	0	0	112.3	Q419 L613 A616 L642	Q419-C636 PolarHBondContact NE2-O 2.82Å; L613-C636 WeakPolarHBondContact O-CA 3.47Å; A616-C636 VanDerWaalsContact CB-SG 3.54Å; C636-L642 HydrophobicContact CB-CB 4.46Å; C636-L642 HydrophobicContact CB-CD1 4.27Å
637	R	85	Confident	87.7	Confident	102 Å²	102	25 Å²	25	39%	0.385	12%	0.124	S	C	.	.	S	Bend	trans	-84.5	-37	172.8	-67.5	-168.7	173	133.6	1.6	113.8	R418 T612 E614	R418-R637 HydrophobicContact CG-CG 4.35Å; R418-R637 WeakPolarHBondContact O-CG 3.33Å; T612-R637 HydrophobicContact CG2-CG 3.82Å; E614-R637 IonicContact OE1-NH1 3.27Å
638	N	86.1	Confident	87.5	Confident	66 Å²	66	33 Å²	33	35%	0.353	15%	0.152	S	C	.	.	S	Bend	trans	-129.3	143.3	-172.2	-54.3	-22	0	0	0	109.7	N640 A641	N638-N640 PolarHBondContact O-N 2.81Å; N638-A641 PolarHBondContact O-N 2.91Å
639	L	86.3	Confident	87.3	Confident	15 Å²	15	34.8 Å²	34.8	8%	0.079	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65	-29.1	178.9	-177.7	62.5	0	0	0	112.2	D422 L425 L428 R444 R448 A641 L642	D422-L639 WeakPolarHBondContact OD2-CB 3.41Å; D422-L639 PolarHBondContact OD2-N 3.02Å; L425-L639 HydrophobicContact CB-CB 4.27Å; L425-L639 HydrophobicContact CD1-CB 4.33Å; L425-L639 HydrophobicContact CD1-CD1 4.16Å; L428-L639 HydrophobicContact CD2-CD1 4.11Å; R444-L639 HydrophobicContact CB-CD2 4.43Å; R448-L639 HydrophobicContact CG-CD1 4.05Å; R448-L639 HydrophobicContact CG-CG 4.38Å; L639-A641 PolarHBondContact O-N 3.31Å; L639-L642 PolarHBondContact O-N 3.01Å
640	N	84.3	Confident	87.2	Confident	114 Å²	114	40.6 Å²	40.6	61%	0.61	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-63.9	-23	177.6	-75.8	-15.6	0	0	0	114.4	R448 N638	R448-N640 PolarHBondContact NH1-OD1 3.29Å; R448-N640 PolarHBondContact NH2-OD1 3.1Å; N638-N640 PolarHBondContact O-N 2.81Å
641	A	83.3	Confident	86.9	Confident	20 Å²	20	41 Å²	41	17%	0.165	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-103.2	19.6	-177.1	0	0	0	0	0	112.7	E614 C615 A616 N638 L639	E614-A641 WeakPolarHBondContact O-CB 3.35Å; C615-A641 WeakPolarHBondContact CA-O 3.45Å; C615-A641 HydrophobicContact CB-CB 4.38Å; A616-A641 PolarHBondContact N-O 2.78Å; N638-A641 PolarHBondContact O-N 2.91Å; L639-A641 PolarHBondContact O-N 3.31Å
642	L	87.6	Confident	86.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.8	-179.5	-172.3	154.4	0	0	0	108.4	R448 A616 L618 L633 C636 L639 L644	R448-L642 HydrophobicContact CB-CD2 4.45Å; R448-L642 WeakPolarHBondContact CB-O 3.49Å; A616-L642 WeakPolarHBondContact O-CA 3.08Å; L618-L642 HydrophobicContact CD1-CD1 4.07Å; L618-L642 HydrophobicContact CD1-CD2 4.1Å; L618-L642 HydrophobicContact CD1-CG 4.03Å; L618-L642 HydrophobicContact CG-CG 4.45Å; L633-L642 HydrophobicContact CD2-CD1 3.96Å; L633-L642 HydrophobicContact CD2-CD2 4.11Å; C636-L642 HydrophobicContact CB-CB 4.46Å; C636-L642 HydrophobicContact CB-CD1 4.27Å; L639-L642 PolarHBondContact O-N 3.01Å; L642-L644 HydrophobicContact CD2-CD2 3.6Å; L642-L644 HydrophobicContact CD2-CG 3.9Å
643	Y	89.4	Confident	86.9	Confident	67 Å²	67	47 Å²	47	26%	0.263	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.1	176.1	-57.4	-80.7	0	0	0	109	V450 A464 A616 E617 L618	V450-Y643 HydrophobicContact CG2-CD1 3.67Å; V450-Y643 HydrophobicContact CG2-CE1 4.48Å; V450-Y643 HydrophobicContact CG2-CG 4.49Å; A464-Y643 HydrophobicContact CB-CD2 4.4Å; A616-Y643 PolarHBondContact O-N 2.86Å; E617-Y643 CarbonylContact C-O 3.57Å; E617-Y643 WeakPolarHBondContact CA-O 3.09Å; L618-Y643 PolarHBondContact N-O 3.39Å
644	L	88.7	Confident	86.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.9	178.5	-61.6	-177.6	0	0	0	110.3	L445 R448 L449 V450 L618 L620 L633 L642 W647	L445-L644 HydrophobicContact CB-CD1 3.81Å; L445-L644 HydrophobicContact CD2-CD1 4.01Å; L445-L644 HydrophobicContact CG-CD1 4.45Å; L445-L644 WeakPolarHBondContact O-CD1 3.26Å; R448-L644 HydrophobicContact CB-CG 4.34Å; R448-L644 PolarHBondContact O-N 2.94Å; L449-L644 HydrophobicContact CD1-CB 4.33Å; V450-L644 PolarHBondContact N-O 2.95Å; L618-L644 HydrophobicContact CB-CD2 3.85Å; L618-L644 HydrophobicContact CD1-CD2 3.81Å; L618-L644 HydrophobicContact CG-CD2 4.11Å; L620-L644 HydrophobicContact CD1-CD2 4.06Å; L633-L644 HydrophobicContact CD2-CD2 4.09Å; L642-L644 HydrophobicContact CD2-CD2 3.6Å; L642-L644 HydrophobicContact CD2-CG 3.9Å; L644-W647 HydrophobicContact CB-CB 3.96Å; L644-W647 HydrophobicContact CD1-CB 3.98Å; L644-W647 HydrophobicContact CD1-CD2 3.99Å; L644-W647 HydrophobicContact CD1-CE3 4.36Å; L644-W647 HydrophobicContact CD1-CG 3.8Å; L644-W647 HydrophobicContact CG-CB 4.47Å
645	L	85.9	Confident	86.9	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.1	170.2	-55.7	176.8	0	0	0	109.2	V450 E452 E617 L618 A619 W647	V450-L645 WeakPolarHBondContact O-CD2 3.2Å; E452-L645 HydrophobicContact CG-CD2 4.35Å; E617-L645 HydrophobicContact CG-CD1 3.74Å; E617-L645 HydrophobicContact CG-CD2 4.19Å; E617-L645 HydrophobicContact CG-CG 3.81Å; L618-L645 PolarHBondContact O-N 2.98Å; A619-L645 HydrophobicContact CB-CD1 4.38Å; L645-W647 PolarHBondContact O-N 3.47Å
646	D	79.8	Confident	87.1	Confident	95 Å²	95	52.4 Å²	52.4	51%	0.508	25%	0.253	S	S	.	.	S	Bend	trans	46.9	33.9	174.3	-58	-28.8	0	0	0	114.5
647	W	83.5	Confident	87.4	Confident	18 Å²	18	55.8 Å²	55.8	7%	0.068	27%	0.271	C	S	.	.			trans	-76	139.8	-175.8	175.3	78.4	0	0	0	111.4	V442 L445 R446 L449 L644 L645 P649 I652	V442-W647 HydrophobicContact CB-CH2 4.38Å; V442-W647 HydrophobicContact CG1-CH2 3.99Å; V442-W647 HydrophobicContact CG1-CZ3 4.13Å; V442-W647 HydrophobicContact CG2-CH2 4.44Å; L445-W647 HydrophobicContact CB-CD2 4.45Å; L445-W647 HydrophobicContact CB-CE3 4.2Å; L445-W647 HydrophobicContact CB-CH2 3.83Å; L445-W647 HydrophobicContact CB-CZ2 4.1Å; L445-W647 HydrophobicContact CB-CZ3 3.88Å; L445-W647 HydrophobicContact CD1-CH2 3.8Å; L445-W647 HydrophobicContact CD1-CZ2 3.39Å; L445-W647 HydrophobicContact CG-CH2 4.49Å; L445-W647 HydrophobicContact CG-CZ2 4.4Å; R446-W647 HydrophobicContact CG-CZ3 4.15Å; L449-W647 HydrophobicContact CD1-CB 4.24Å; L644-W647 HydrophobicContact CB-CB 3.96Å; L644-W647 HydrophobicContact CD1-CB 3.98Å; L644-W647 HydrophobicContact CD1-CD2 3.99Å; L644-W647 HydrophobicContact CD1-CE3 4.36Å; L644-W647 HydrophobicContact CD1-CG 3.8Å; L644-W647 HydrophobicContact CG-CB 4.47Å; L645-W647 PolarHBondContact O-N 3.47Å; W647-P649 HydrophobicContact CH2-CB 4.17Å; W647-P649 HydrophobicContact CH2-CG 3.83Å; W647-P649 HydrophobicContact CZ2-CB 4.34Å; W647-P649 HydrophobicContact CZ2-CG 4.41Å; W647-P649 HydrophobicContact CZ3-CG 4.18Å; W647-I652 HydrophobicContact CZ2-CD1 3.82Å
648	R	85.2	Confident	87.8	Confident	173 Å²	173	51 Å²	51	65%	0.653	25%	0.253	S	S	*	.			trans	-131.7	145.8	172.9	-44.2	-177.9	-177.9	171.5	-0.9	109.7	E650 V651	R648-E650 WeakPolarHBondContact CB-OE2 3.48Å; R648-E650 PolarHBondContact O-N 2.79Å; R648-E650 VanDerWaalsContact O-N 3.15Å; R648-V651 WeakPolarHBondContact O-CG2 3.01Å; R648-V651 PolarHBondContact O-N 2.81Å
649	P	85.9	Confident	88.1	Confident	37 Å²	37	51.3 Å²	51.3	24%	0.24	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-55.1	-33.2	-176.6	-26.6	35.6	0	0	0	114.6	V442 W647 V651 I652	V442-P649 HydrophobicContact CG1-CG 4.11Å; V442-P649 HydrophobicContact CG2-CB 4.44Å; V442-P649 HydrophobicContact CG2-CG 4.38Å; W647-P649 HydrophobicContact CH2-CB 4.17Å; W647-P649 HydrophobicContact CH2-CG 3.83Å; W647-P649 HydrophobicContact CZ2-CB 4.34Å; W647-P649 HydrophobicContact CZ2-CG 4.41Å; W647-P649 HydrophobicContact CZ3-CG 4.18Å; P649-V651 PolarHBondContact O-N 3.42Å; P649-V651 VanDerWaalsContact O-N 3.11Å; P649-I652 PolarHBondContact O-N 2.88Å; P649-I652 VanDerWaalsContact O-N 3.1Å
650	E	87.5	Confident	88.5	Confident	126 Å²	126	57.8 Å²	57.8	59%	0.589	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-69.7	-11.4	-171.8	-47.9	71.6	-149.3	0	0	113.4	R648 I652 R653	R648-E650 WeakPolarHBondContact CB-OE2 3.48Å; R648-E650 PolarHBondContact O-N 2.79Å; R648-E650 VanDerWaalsContact O-N 3.15Å; E650-I652 VanDerWaalsContact C-N 3.26Å; E650-I652 PolarHBondContact O-N 3.45Å; E650-R653 VanDerWaalsContact O-CD 3.31Å; E650-R653 WeakPolarHBondContact O-CD 3.13Å; E650-R653 VanDerWaalsContact O-CG 3.28Å; E650-R653 WeakPolarHBondContact O-CG 3.48Å
651	V	88.3	Confident	88.9	Confident	19 Å²	19	53.8 Å²	53.8	12%	0.115	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-73.8	-19.2	174.1	-48.8	0	0	0	0	112.4	L620 V623 A629 R648 P649 R653	L620-V651 HydrophobicContact CB-CG2 4.49Å; V623-V651 HydrophobicContact CB-CB 4.14Å; V623-V651 HydrophobicContact CB-CG1 4.48Å; V623-V651 HydrophobicContact CG1-CB 4.2Å; A629-V651 HydrophobicContact CB-CG2 4.14Å; R648-V651 WeakPolarHBondContact O-CG2 3.01Å; R648-V651 PolarHBondContact O-N 2.81Å; P649-V651 PolarHBondContact O-N 3.42Å; P649-V651 VanDerWaalsContact O-N 3.11Å; V651-R653 PolarHBondContact O-N 3.21Å
652	I	89.9	Confident	89.4	Confident	12 Å²	12	53 Å²	53	6%	0.062	25%	0.252	C	S	.	.			trans	-83.7	98.4	177.8	-64.5	175.9	0	0	0	108.3	I432 C437 L445 A629 L633 W647 P649 E650	I432-I652 HydrophobicContact CB-CG2 4.4Å; I432-I652 HydrophobicContact CD1-CD1 4.03Å; I432-I652 HydrophobicContact CG1-CD1 4.09Å; I432-I652 HydrophobicContact CG1-CG2 4.49Å; I432-I652 HydrophobicContact CG2-CD1 4.21Å; I432-I652 HydrophobicContact CG2-CG1 4.4Å; I432-I652 HydrophobicContact CG2-CG2 3.9Å; C437-I652 HydrophobicContact CB-CD1 4.41Å; L445-I652 HydrophobicContact CD1-CD1 3.71Å; A629-I652 HydrophobicContact CB-CG1 4.36Å; L633-I652 HydrophobicContact CD1-CD1 4.47Å; W647-I652 HydrophobicContact CZ2-CD1 3.82Å; P649-I652 PolarHBondContact O-N 2.88Å; P649-I652 VanDerWaalsContact O-N 3.1Å; E650-I652 VanDerWaalsContact C-N 3.26Å; E650-I652 PolarHBondContact O-N 3.45Å
653	R	91.1	Very high	89.6	Confident	113 Å²	113	55.5 Å²	55.5	43%	0.426	27%	0.273	S	S	.	.			trans	-135.9	136.7	-177.6	-62	178.1	-66.2	153.1	6.6	110.6	F624 C626 G627 E650 V651	F624-R653 PolarHBondContact O-NH2 3.35Å; F624-R653 VanDerWaalsContact O-NH2 3.11Å; C626-R653 WeakPolarHBondContact CA-O 3.44Å; G627-R653 PolarHBondContact N-O 3.29Å; E650-R653 VanDerWaalsContact O-CD 3.31Å; E650-R653 WeakPolarHBondContact O-CD 3.13Å; E650-R653 VanDerWaalsContact O-CG 3.28Å; E650-R653 WeakPolarHBondContact O-CG 3.48Å; V651-R653 PolarHBondContact O-N 3.21Å
654	A	91.5	Very high	89.6	Confident	17 Å²	17	59.1 Å²	59.1	14%	0.14	29%	0.29	C	S	.	.			trans	-111.1	149.6	167.6	0	0	0	0	0	109.8	F381 I659	F381-A654 HydrophobicContact CD1-CB 3.95Å; F381-A654 HydrophobicContact CE1-CB 4.08Å; A654-I659 HydrophobicContact CB-CD1 4.09Å; A654-I659 HydrophobicContact CB-CG1 4.11Å
655	D	91.6	Very high	89.6	Confident	18 Å²	18	59.7 Å²	59.7	10%	0.096	29%	0.293	C	S	.	.			trans	-73.5	127.9	179.5	-170.1	-63.4	0	0	0	110.4	K395 F396 C626 N657 V658 I659	K395-D655 WeakPolarHBondContact CE-OD2 3.41Å; K395-D655 IonicContact NZ-OD2 2.72Å; K395-D655 PolarHBondContact NZ-OD2 2.62Å; F396-D655 HydrophobicContact CE2-CB 4.01Å; F396-D655 HydrophobicContact CZ-CB 4Å; C626-D655 HydrophobicContact CB-CB 4.48Å; D655-N657 PolarHBondContact O-N 2.76Å; D655-N657 VanDerWaalsContact O-N 3.09Å; D655-N657 VanDerWaalsContact OD1-CB 3.31Å; D655-N657 WeakPolarHBondContact OD1-CB 3.43Å; D655-N657 PolarHBondContact OD1-N 3.37Å; D655-N657 PolarHBondContact OD1-ND2 3.39Å; D655-V658 HydrophobicContact CB-CB 4.31Å; D655-V658 HydrophobicContact CB-CG2 3.88Å; D655-V658 WeakPolarHBondContact O-CA 3.21Å; D655-V658 WeakPolarHBondContact O-CB 3.45Å; D655-V658 PolarHBondContact O-N 3.13Å; D655-I659 PolarHBondContact O-N 3.05Å; D655-I659 VanDerWaalsContact O-N 3.12Å
656	P	92.3	Very high	89.6	Confident	84 Å²	84	63.3 Å²	63.3	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-57	-27.7	-178	-27.9	35.7	0	0	0	114.5	V658 K660	P656-V658 VanDerWaalsContact C-N 3.35Å; P656-K660 VanDerWaalsContact O-CG 3.3Å; P656-K660 WeakPolarHBondContact O-CG 3.34Å; P656-K660 PolarHBondContact O-N 3.33Å; P656-K660 VanDerWaalsContact O-N 3.12Å
657	N	92.6	Very high	89.9	Confident	71 Å²	71	63.4 Å²	63.4	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-70.9	-34.2	176.2	-58.3	-73.9	0	0	0	111.7	F398 D655 F661	F398-N657 HydrophobicContact CZ-CB 4.25Å; D655-N657 PolarHBondContact O-N 2.76Å; D655-N657 VanDerWaalsContact O-N 3.09Å; D655-N657 VanDerWaalsContact OD1-CB 3.31Å; D655-N657 WeakPolarHBondContact OD1-CB 3.43Å; D655-N657 PolarHBondContact OD1-N 3.37Å; D655-N657 PolarHBondContact OD1-ND2 3.39Å; N657-F661 WeakPolarHBondContact O-CB 2.95Å; N657-F661 PolarHBondContact O-N 3.43Å
658	V	93.5	Very high	89.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-70.5	-45.8	176.6	178.6	0	0	0	0	110	F380 F381 F396 F398 D655 P656 K660 F661 Y662	F380-V658 HydrophobicContact CB-CG1 3.79Å; F380-V658 HydrophobicContact CB-CG2 4.01Å; F381-V658 HydrophobicContact CD1-CG1 3.61Å; F381-V658 HydrophobicContact CD2-CG1 4.15Å; F381-V658 HydrophobicContact CE1-CB 4.47Å; F381-V658 HydrophobicContact CE1-CG1 3.7Å; F381-V658 HydrophobicContact CE2-CG1 4.25Å; F381-V658 HydrophobicContact CG-CG1 3.87Å; F381-V658 HydrophobicContact CZ-CG1 4.03Å; F396-V658 HydrophobicContact CD2-CG2 4.13Å; F396-V658 HydrophobicContact CE1-CG2 4.02Å; F396-V658 HydrophobicContact CE2-CG2 3.53Å; F396-V658 HydrophobicContact CZ-CG2 3.45Å; F396-V658 VanDerWaalsContact CZ-CG2 3.45Å; F398-V658 HydrophobicContact CE1-CG2 4.01Å; F398-V658 HydrophobicContact CZ-CG2 4.08Å; D655-V658 HydrophobicContact CB-CB 4.31Å; D655-V658 HydrophobicContact CB-CG2 3.88Å; D655-V658 WeakPolarHBondContact O-CA 3.21Å; D655-V658 WeakPolarHBondContact O-CB 3.45Å; D655-V658 PolarHBondContact O-N 3.13Å; P656-V658 VanDerWaalsContact C-N 3.35Å; V658-K660 VanDerWaalsContact C-N 3.34Å; V658-K660 PolarHBondContact O-N 2.71Å; V658-F661 WeakPolarHBondContact O-CB 3.27Å; V658-F661 PolarHBondContact O-N 3.28Å; V658-F661 VanDerWaalsContact O-N 3.09Å; V658-Y662 HydrophobicContact CG1-CD2 3.7Å; V658-Y662 HydrophobicContact CG1-CE2 3.65Å; V658-Y662 WeakPolarHBondContact O-CD2 3.09Å; V658-Y662 PolarHBondContact O-N 3.08Å
659	I	93.1	Very high	89.2	Confident	73 Å²	73	60.1 Å²	60.1	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-55.1	-50.8	175.5	-60.6	171.4	0	0	0	110.2	F381 A654 D655 F661 Y662 A663	F381-I659 HydrophobicContact CE1-CG1 4.05Å; A654-I659 HydrophobicContact CB-CD1 4.09Å; A654-I659 HydrophobicContact CB-CG1 4.11Å; D655-I659 PolarHBondContact O-N 3.05Å; D655-I659 VanDerWaalsContact O-N 3.12Å; I659-F661 VanDerWaalsContact C-N 3.3Å; I659-F661 PolarHBondContact O-N 2.94Å; I659-Y662 PolarHBondContact O-N 3.43Å; I659-A663 WeakPolarHBondContact O-CB 3.35Å; I659-A663 PolarHBondContact O-N 3.43Å
660	K	93.5	Very high	88.5	Confident	151 Å²	151	62.3 Å²	62.3	66%	0.657	31%	0.313	S	S	*	.	H	α-helix	trans	-59.2	-37.7	176.6	-72.7	174	-179.2	-179	0	113	P656 V658 K664	P656-K660 VanDerWaalsContact O-CG 3.3Å; P656-K660 WeakPolarHBondContact O-CG 3.34Å; P656-K660 PolarHBondContact O-N 3.33Å; P656-K660 VanDerWaalsContact O-N 3.12Å; V658-K660 VanDerWaalsContact C-N 3.34Å; V658-K660 PolarHBondContact O-N 2.71Å; K660-K664 WeakPolarHBondContact O-CB 3.36Å; K660-K664 PolarHBondContact O-N 2.86Å; K660-K664 VanDerWaalsContact O-N 3.15Å
661	F	93.1	Very high	87.6	Confident	31 Å²	31	61.9 Å²	61.9	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-47.5	178.5	175.8	-112.6	0	0	0	112.5	F242 F380 F398 W403 N657 V658 I659 K664 I665	F242-F661 HydrophobicContact CD1-CZ 4.48Å; F242-F661 AromaticContact CE1-CE1 3.84Å; F242-F661 HydrophobicContact CE1-CE1 3.84Å; F242-F661 HydrophobicContact CE1-CZ 4.02Å; F242-F661 HydrophobicContact CZ-CE1 4.42Å; F380-F661 HydrophobicContact CD2-CD1 4.28Å; F380-F661 AromaticContact CD2-CE1 3.82Å; F380-F661 HydrophobicContact CD2-CE1 3.82Å; F380-F661 AromaticContact CE2-CE1 3.95Å; F380-F661 HydrophobicContact CE2-CE1 3.95Å; F398-F661 HydrophobicContact CB-CD1 4.47Å; F398-F661 HydrophobicContact CB-CD2 4.04Å; F398-F661 HydrophobicContact CB-CE1 4.06Å; F398-F661 HydrophobicContact CB-CE2 3.61Å; F398-F661 HydrophobicContact CB-CG 4.45Å; F398-F661 HydrophobicContact CB-CZ 3.61Å; F398-F661 HydrophobicContact CD1-CD1 4.02Å; F398-F661 HydrophobicContact CD1-CE1 4.17Å; F398-F661 HydrophobicContact CD1-CG 4.26Å; F398-F661 HydrophobicContact CD2-CB 3.96Å; F398-F661 HydrophobicContact CD2-CD1 4.25Å; F398-F661 AromaticContact CD2-CD2 3.56Å; F398-F661 HydrophobicContact CD2-CD2 3.56Å; F398-F661 HydrophobicContact CD2-CE2 4.06Å; F398-F661 AromaticContact CD2-CG 3.66Å; F398-F661 HydrophobicContact CD2-CG 3.66Å; F398-F661 HydrophobicContact CE1-CD1 4.31Å; F398-F661 HydrophobicContact CE1-CG 4.46Å; F398-F661 HydrophobicContact CE2-CB 3.67Å; F398-F661 HydrophobicContact CE2-CD2 4.18Å; F398-F661 AromaticContact CE2-CG 3.9Å; F398-F661 HydrophobicContact CE2-CG 3.9Å; F398-F661 AromaticContact CG-CD1 4Å; F398-F661 HydrophobicContact CG-CD1 4Å; F398-F661 AromaticContact CG-CD2 3.85Å; F398-F661 HydrophobicContact CG-CD2 3.85Å; F398-F661 HydrophobicContact CG-CE1 4.07Å; F398-F661 AromaticContact CG-CE2 3.94Å; F398-F661 HydrophobicContact CG-CE2 3.94Å; F398-F661 AromaticContact CG-CG 3.88Å; F398-F661 HydrophobicContact CG-CG 3.88Å; F398-F661 HydrophobicContact CG-CZ 4.04Å; F398-F661 HydrophobicContact CZ-CB 4.01Å; F398-F661 HydrophobicContact CZ-CG 4.3Å; W403-F661 HydrophobicContact CZ2-CZ 4.11Å; N657-F661 WeakPolarHBondContact O-CB 2.95Å; N657-F661 PolarHBondContact O-N 3.43Å; V658-F661 WeakPolarHBondContact O-CB 3.27Å; V658-F661 PolarHBondContact O-N 3.28Å; V658-F661 VanDerWaalsContact O-N 3.09Å; I659-F661 VanDerWaalsContact C-N 3.3Å; I659-F661 PolarHBondContact O-N 2.94Å; F661-K664 PolarHBondContact O-N 2.94Å; F661-I665 HydrophobicContact CD1-CD1 3.83Å; F661-I665 HydrophobicContact CD2-CD1 4.29Å; F661-I665 HydrophobicContact CE1-CD1 3.48Å; F661-I665 VanDerWaalsContact CE1-CD1 3.48Å; F661-I665 HydrophobicContact CE2-CD1 3.97Å; F661-I665 HydrophobicContact CG-CD1 4.23Å; F661-I665 HydrophobicContact CZ-CD1 3.56Å; F661-I665 WeakPolarHBondContact O-CG1 3.4Å; F661-I665 PolarHBondContact O-N 2.94Å; F661-I665 VanDerWaalsContact O-N 3.12Å
662	Y	92.6	Very high	86.5	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-68.9	-38.2	177.1	-79.7	-89.1	0	0	0	112.6	T244 D379 F380 F381 V658 I659 K664 I665 R666	T244-Y662 HydrophobicContact CG2-CE1 3.65Å; T244-Y662 PolarHBondContact OG1-OH 3.48Å; D379-Y662 PolarHBondContact OD1-OH 2.94Å; F380-Y662 HydrophobicContact CB-CE2 4.09Å; F380-Y662 PolarHBondContact N-OH 2.74Å; F380-Y662 VanDerWaalsContact N-OH 3.13Å; F381-Y662 AromaticContact CD2-CD2 3.74Å; F381-Y662 HydrophobicContact CD2-CD2 3.74Å; F381-Y662 HydrophobicContact CD2-CE1 4.48Å; F381-Y662 AromaticContact CD2-CE2 3.52Å; F381-Y662 HydrophobicContact CD2-CE2 3.52Å; F381-Y662 HydrophobicContact CD2-CG 4.31Å; F381-Y662 AromaticContact CD2-CZ 3.95Å; F381-Y662 AromaticContact CE2-CD1 4Å; F381-Y662 HydrophobicContact CE2-CD1 4Å; F381-Y662 AromaticContact CE2-CD2 3.14Å; F381-Y662 HydrophobicContact CE2-CD2 3.14Å; F381-Y662 HydrophobicContact CE2-CE1 4.27Å; F381-Y662 AromaticContact CE2-CE2 3.47Å; F381-Y662 HydrophobicContact CE2-CE2 3.47Å; F381-Y662 VanDerWaalsContact CE2-CE2 3.47Å; F381-Y662 AromaticContact CE2-CG 3.45Å; F381-Y662 HydrophobicContact CE2-CG 3.45Å; F381-Y662 VanDerWaalsContact CE2-CG 3.45Å; F381-Y662 HydrophobicContact CG-CE2 4.41Å; F381-Y662 AromaticContact CZ-CD2 3.65Å; F381-Y662 HydrophobicContact CZ-CD2 3.65Å; F381-Y662 HydrophobicContact CZ-CE2 4.28Å; F381-Y662 HydrophobicContact CZ-CG 4.02Å; V658-Y662 HydrophobicContact CG1-CD2 3.7Å; V658-Y662 HydrophobicContact CG1-CE2 3.65Å; V658-Y662 WeakPolarHBondContact O-CD2 3.09Å; V658-Y662 PolarHBondContact O-N 3.08Å; I659-Y662 PolarHBondContact O-N 3.43Å; Y662-K664 VanDerWaalsContact C-N 3.32Å; Y662-K664 PolarHBondContact O-N 3.24Å; Y662-I665 WeakPolarHBondContact O-CB 3.45Å; Y662-I665 PolarHBondContact O-N 2.94Å; Y662-I665 VanDerWaalsContact O-N 3.14Å; Y662-R666 WeakPolarHBondContact O-CG 3.43Å; Y662-R666 PolarHBondContact O-N 3.06Å
663	A	92	Very high	85	Confident	54 Å²	54	68.5 Å²	68.5	45%	0.446	34%	0.342	S	S	.	.	H	α-helix	trans	-56.2	-47	173.8	0	0	0	0	0	111.6	I659 I665 R666 E667	I659-A663 WeakPolarHBondContact O-CB 3.35Å; I659-A663 PolarHBondContact O-N 3.43Å; A663-I665 VanDerWaalsContact C-N 3.34Å; A663-I665 PolarHBondContact O-N 3.33Å; A663-R666 PolarHBondContact O-N 2.77Å; A663-E667 WeakPolarHBondContact O-CB 3.46Å; A663-E667 PolarHBondContact O-N 2.64Å
664	K	90.4	Very high	82.9	Confident	143 Å²	143	68.5 Å²	68.5	62%	0.622	35%	0.351	S	S	*	.	H	α-helix	trans	-62.9	-35.6	176	-176.8	173.9	-178.2	172.7	0	113.3	K660 F661 Y662 T668	K660-K664 WeakPolarHBondContact O-CB 3.36Å; K660-K664 PolarHBondContact O-N 2.86Å; K660-K664 VanDerWaalsContact O-N 3.15Å; F661-K664 PolarHBondContact O-N 2.94Å; Y662-K664 VanDerWaalsContact C-N 3.32Å; Y662-K664 PolarHBondContact O-N 3.24Å; K664-T668 WeakPolarHBondContact O-CB 3.21Å; K664-T668 PolarHBondContact O-N 3.4Å; K664-T668 VanDerWaalsContact O-N 3.1Å; K664-T668 PolarHBondContact O-OG1 2.99Å
665	I	87.5	Confident	81	Confident	13 Å²	13	76.3 Å²	76.3	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-49.1	175.2	-73.7	159.8	0	0	0	110.5	F242 V410 F661 Y662 A663 T668 N669	F242-I665 HydrophobicContact CE1-CD1 4.44Å; V410-I665 HydrophobicContact CB-CG2 4.13Å; V410-I665 HydrophobicContact CG1-CD1 3.91Å; V410-I665 HydrophobicContact CG1-CG1 4.12Å; V410-I665 HydrophobicContact CG1-CG2 3.58Å; V410-I665 HydrophobicContact CG2-CG1 4.49Å; F661-I665 HydrophobicContact CD1-CD1 3.83Å; F661-I665 HydrophobicContact CD2-CD1 4.29Å; F661-I665 HydrophobicContact CE1-CD1 3.48Å; F661-I665 VanDerWaalsContact CE1-CD1 3.48Å; F661-I665 HydrophobicContact CE2-CD1 3.97Å; F661-I665 HydrophobicContact CG-CD1 4.23Å; F661-I665 HydrophobicContact CZ-CD1 3.56Å; F661-I665 WeakPolarHBondContact O-CG1 3.4Å; F661-I665 PolarHBondContact O-N 2.94Å; F661-I665 VanDerWaalsContact O-N 3.12Å; Y662-I665 WeakPolarHBondContact O-CB 3.45Å; Y662-I665 PolarHBondContact O-N 2.94Å; Y662-I665 VanDerWaalsContact O-N 3.14Å; A663-I665 VanDerWaalsContact C-N 3.34Å; A663-I665 PolarHBondContact O-N 3.33Å; I665-T668 WeakPolarHBondContact O-CB 3.45Å; I665-T668 PolarHBondContact O-N 2.88Å; I665-N669 PolarHBondContact O-N 3.07Å
666	R	87.3	Confident	79	Confident	78 Å²	78	82.2 Å²	82.2	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-62.2	-50.3	-179	-67.3	174.2	-173.1	166.4	1.3	110.9	E412 E434 Y662 A663 T668 N669 D670	E412-R666 IonicContact OE1-NH2 3.22Å; E412-R666 PolarHBondContact OE1-NH2 2.87Å; E412-R666 VanDerWaalsContact OE1-NH2 3.08Å; E412-R666 IonicContact OE2-CZ 3.29Å; E412-R666 IonicContact OE2-NE 3.64Å; E412-R666 PolarHBondContact OE2-NE 3.22Å; E412-R666 IonicContact OE2-NH2 2.72Å; E412-R666 PolarHBondContact OE2-NH2 2.85Å; E434-R666 IonicContact OE1-CZ 2.76Å; E434-R666 IonicContact OE1-NH1 3.37Å; E434-R666 PolarHBondContact OE1-NH1 2.97Å; E434-R666 IonicContact OE1-NH2 3.36Å; E434-R666 PolarHBondContact OE1-NH2 2.84Å; E434-R666 IonicContact OE2-NH1 2.74Å; Y662-R666 WeakPolarHBondContact O-CG 3.43Å; Y662-R666 PolarHBondContact O-N 3.06Å; A663-R666 PolarHBondContact O-N 2.77Å; R666-T668 PolarHBondContact O-N 2.8Å; R666-T668 VanDerWaalsContact O-N 3.15Å; R666-N669 WeakPolarHBondContact O-CA 3.09Å; R666-N669 WeakPolarHBondContact O-CB 3.41Å; R666-N669 PolarHBondContact O-N 2.87Å; R666-D670 PolarHBondContact O-N 2.95Å
667	E	85.8	Confident	76.6	Confident	97 Å²	97	86.6 Å²	86.6	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-54.5	-37	174.3	-169.8	-160.8	176.5	0	0	112.9	A663 K671	A663-E667 WeakPolarHBondContact O-CB 3.46Å; A663-E667 PolarHBondContact O-N 2.64Å; E667-K671 HydrophobicContact CG-CD 4.42Å; E667-K671 WeakPolarHBondContact O-CB 3.37Å; E667-K671 VanDerWaalsContact O-CG 3.24Å; E667-K671 WeakPolarHBondContact O-CG 3.08Å; E667-K671 PolarHBondContact O-N 3.23Å; E667-K671 VanDerWaalsContact O-N 3.12Å; E667-K671 WeakPolarHBondContact OE1-CE 3.33Å; E667-K671 IonicContact OE1-NZ 2.58Å; E667-K671 PolarHBondContact OE1-NZ 3.43Å
668	T	80.3	Confident	75.8	Confident	69 Å²	69	87.4 Å²	87.4	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-70.1	-38.1	176.7	-58.1	0	0	0	0	111.9	K664 I665 R666 I672	K664-T668 WeakPolarHBondContact O-CB 3.21Å; K664-T668 PolarHBondContact O-N 3.4Å; K664-T668 VanDerWaalsContact O-N 3.1Å; K664-T668 PolarHBondContact O-OG1 2.99Å; I665-T668 WeakPolarHBondContact O-CB 3.45Å; I665-T668 PolarHBondContact O-N 2.88Å; R666-T668 PolarHBondContact O-N 2.8Å; R666-T668 VanDerWaalsContact O-N 3.15Å; T668-I672 HydrophobicContact CG2-CD1 4.36Å; T668-I672 WeakPolarHBondContact O-CD1 3.41Å; T668-I672 VanDerWaalsContact O-CG1 3.31Å; T668-I672 WeakPolarHBondContact O-CG1 3.25Å; T668-I672 PolarHBondContact O-N 3.47Å
669	N	73.9	Confident	74.9	Confident	53 Å²	53	91.9 Å²	91.9	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-70.1	-43.4	177	-70.3	-14.1	0	0	0	111.2	I665 R666 K671 I672 I673	I665-N669 PolarHBondContact O-N 3.07Å; R666-N669 WeakPolarHBondContact O-CA 3.09Å; R666-N669 WeakPolarHBondContact O-CB 3.41Å; R666-N669 PolarHBondContact O-N 2.87Å; N669-K671 VanDerWaalsContact C-N 3.31Å; N669-K671 PolarHBondContact O-N 2.91Å; N669-I672 WeakPolarHBondContact O-CA 3.32Å; N669-I672 WeakPolarHBondContact O-CB 3.43Å; N669-I672 PolarHBondContact O-N 2.89Å; N669-I673 WeakPolarHBondContact O-CG1 3.48Å; N669-I673 PolarHBondContact O-N 2.83Å
670	D	71.5	Confident	73.8	Confident	84 Å²	84	92.9 Å²	92.9	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-60.7	-41.3	177.3	-57.4	-27.6	0	0	0	111	R666 I672 I673 N674	R666-D670 PolarHBondContact O-N 2.95Å; D670-I672 PolarHBondContact O-N 3.08Å; D670-I673 PolarHBondContact O-N 2.86Å; D670-N674 WeakPolarHBondContact O-CB 3.42Å; D670-N674 VanDerWaalsContact O-CG 3.3Å; D670-N674 PolarHBondContact O-N 3.44Å
671	K	68.3	Low	72.7	Confident	116 Å²	116	89.5 Å²	89.5	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-19.1	173.2	-75.2	174.2	-174.6	174.6	0	114.7	E667 N669 K675	E667-K671 HydrophobicContact CG-CD 4.42Å; E667-K671 WeakPolarHBondContact O-CB 3.37Å; E667-K671 VanDerWaalsContact O-CG 3.24Å; E667-K671 WeakPolarHBondContact O-CG 3.08Å; E667-K671 PolarHBondContact O-N 3.23Å; E667-K671 VanDerWaalsContact O-N 3.12Å; E667-K671 WeakPolarHBondContact OE1-CE 3.33Å; E667-K671 IonicContact OE1-NZ 2.58Å; E667-K671 PolarHBondContact OE1-NZ 3.43Å; N669-K671 VanDerWaalsContact C-N 3.31Å; N669-K671 PolarHBondContact O-N 2.91Å; K671-K675 WeakPolarHBondContact O-CG 3.41Å
672	I	64.8	Low	71.4	Confident	79 Å²	79	93.2 Å²	93.2	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-83.7	-42.2	172.7	-70.1	164	0	0	0	109.6	T668 N669 D670 K675 I676	T668-I672 HydrophobicContact CG2-CD1 4.36Å; T668-I672 WeakPolarHBondContact O-CD1 3.41Å; T668-I672 VanDerWaalsContact O-CG1 3.31Å; T668-I672 WeakPolarHBondContact O-CG1 3.25Å; T668-I672 PolarHBondContact O-N 3.47Å; N669-I672 WeakPolarHBondContact O-CA 3.32Å; N669-I672 WeakPolarHBondContact O-CB 3.43Å; N669-I672 PolarHBondContact O-N 2.89Å; D670-I672 PolarHBondContact O-N 3.08Å; I672-K675 PolarHBondContact O-N 3.16Å; I672-I676 HydrophobicContact CG2-CD1 3.85Å; I672-I676 WeakPolarHBondContact O-CD1 3.47Å; I672-I676 WeakPolarHBondContact O-CG1 3.47Å; I672-I676 PolarHBondContact O-N 3.5Å
673	I	59.2	Low	70	Confident	91 Å²	91	99.3 Å²	99.3	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-49.3	177	-65.4	165.5	0	0	0	110.2	N669 D670 K675 I676 I677	N669-I673 WeakPolarHBondContact O-CG1 3.48Å; N669-I673 PolarHBondContact O-N 2.83Å; D670-I673 PolarHBondContact O-N 2.86Å; I673-K675 PolarHBondContact O-N 2.9Å; I673-I676 PolarHBondContact O-N 2.72Å; I673-I677 HydrophobicContact CG2-CD1 3.85Å; I673-I677 HydrophobicContact CG2-CG1 4.46Å; I673-I677 PolarHBondContact O-N 2.82Å
674	N	46.9	Very low	68.4	Low	114 Å²	114	102.5 Å²	102.5	61%	0.61	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	10.8	177.4	-62.6	-10.4	0	0	0	114.5	D670	D670-N674 WeakPolarHBondContact O-CB 3.42Å; D670-N674 VanDerWaalsContact O-CG 3.3Å; D670-N674 PolarHBondContact O-N 3.44Å
675	K	51.2	Low	66.7	Low	181 Å²	181	99.4 Å²	99.4	79%	0.787	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-4.1	168.4	-80.9	-172.5	174.5	-166.2	0	113.1	K671 I672 I673	K671-K675 WeakPolarHBondContact O-CG 3.41Å; I672-K675 PolarHBondContact O-N 3.16Å; I673-K675 PolarHBondContact O-N 2.9Å
676	I	50	Low	65	Low	141 Å²	141	106.6 Å²	106.6	72%	0.723	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-29.4	177.9	-66.9	167.6	0	0	0	109.7	I672 I673	I672-I676 HydrophobicContact CG2-CD1 3.85Å; I672-I676 WeakPolarHBondContact O-CD1 3.47Å; I672-I676 WeakPolarHBondContact O-CG1 3.47Å; I672-I676 PolarHBondContact O-N 3.5Å; I673-I676 PolarHBondContact O-N 2.72Å
677	I	40.9	Very low	63	Low	176 Å²	176	109.2 Å²	109.2	90%	0.903	55%	0.546	S	S	*	.			trans	-78.9	0	156.4	-50.9	172.3	0	0	0	108.2	I673	I673-I677 HydrophobicContact CG2-CD1 3.85Å; I673-I677 HydrophobicContact CG2-CG1 4.46Å; I673-I677 PolarHBondContact O-N 2.82Å

Retrieved 677 of 677 residues in 809.9 ms (Link to these results)

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