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DNA replication licensing factor MCM5

Acts as a component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. Core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity. Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A096M474, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 737 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	36.3	Very low	34.2	Very low	236 Å²	236	145.5 Å²	145.5	100%	1.163	79%	0.788	S	S	*	*				0	88	0	-67.6	-178.1	-177.8	0	0	106.2
2	S	34.9	Very low	33.8	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	79%	0.793	S	S	*	*				67.6	104.2	92.9	60.6	0	0	0	0	110
3	G	33.5	Very low	33.6	Very low	64 Å²	64	141.5 Å²	141.5	66%	0.66	78%	0.78	S	S	*	*				100.4	142.2	68	0	0	0	0	0	108
4	F	34	Very low	34	Very low	201 Å²	201	143.2 Å²	143.2	88%	0.882	79%	0.787	S	S	*	*			trans	81.3	121.1	-174.9	-64.6	-101.7	0	0	0	113.5
5	D	35.3	Very low	34.1	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	79%	0.786	S	S	*	*			cis	-153.4	126.7	17.2	-86.2	-44.4	0	0	0	111.6
6	D	35.9	Very low	33.7	Very low	158 Å²	158	141.2 Å²	141.2	85%	0.845	79%	0.789	S	S	*	*			trans	-68	123.1	161	-110	-37.5	0	0	0	109	G8	D6-G8 PolarHBondContact O-N 3.4Å
7	P	37.8	Very low	33.8	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	80%	0.799	S	S	*	*			trans	-74.8	96.5	168.8	28.3	-29.1	0	0	0	108.9	V9	P7-V9 PolarHBondContact O-N 2.73Å; P7-V9 VanDerWaalsContact O-N 3.12Å
8	G	31.4	Very low	33.5	Very low	53 Å²	53	142.9 Å²	142.9	55%	0.546	79%	0.789	S	S	.	*			trans	-47.7	115.3	170.4	0	0	0	0	0	111.5	D6 Y10	D6-G8 PolarHBondContact O-N 3.4Å; G8-Y10 WeakPolarHBondContact O-CD2 3.31Å; G8-Y10 PolarHBondContact O-N 3.43Å
9	V	34.2	Very low	33.7	Very low	112 Å²	112	146.5 Å²	146.5	68%	0.679	80%	0.799	S	S	*	*			trans	-73.6	104.3	168.3	-178.5	0	0	0	0	107.2	P7 Y11	P7-V9 PolarHBondContact O-N 2.73Å; P7-V9 VanDerWaalsContact O-N 3.12Å; V9-Y11 HydrophobicContact CB-CD2 4.39Å; V9-Y11 HydrophobicContact CB-CE2 4.3Å; V9-Y11 HydrophobicContact CG1-CD2 3.64Å; V9-Y11 HydrophobicContact CG1-CE2 3.39Å; V9-Y11 PolarHBondContact O-N 2.57Å
10	Y	31.9	Very low	33.6	Very low	225 Å²	225	142.9 Å²	142.9	88%	0.882	79%	0.79	S	S	*	*			trans	-69.4	98.1	172.4	-68.1	-87.7	0	0	0	109.9	G8	G8-Y10 WeakPolarHBondContact O-CD2 3.31Å; G8-Y10 PolarHBondContact O-N 3.43Å
11	Y	30.6	Very low	33.7	Very low	186 Å²	186	143.2 Å²	143.2	73%	0.729	80%	0.798	S	S	*	*			trans	-87.1	114.3	159.2	-80.3	-89.3	0	0	0	108.5	V9 D13	V9-Y11 HydrophobicContact CB-CD2 4.39Å; V9-Y11 HydrophobicContact CB-CE2 4.3Å; V9-Y11 HydrophobicContact CG1-CD2 3.64Å; V9-Y11 HydrophobicContact CG1-CE2 3.39Å; V9-Y11 PolarHBondContact O-N 2.57Å; Y11-D13 PolarHBondContact O-N 2.99Å
12	S	30.4	Very low	33.6	Very low	121 Å²	121	134.1 Å²	134.1	85%	0.846	77%	0.765	S	S	*	*			trans	-86.5	66.1	157.7	42.7	0	0	0	0	108.7	N14	S12-N14 PolarHBondContact O-N 3.18Å
13	D	31	Very low	33.9	Very low	118 Å²	118	132.1 Å²	132.1	63%	0.631	76%	0.763	S	S	*	*			trans	-81.5	91.8	161.3	-90.1	-23.9	0	0	0	107.5	Y11 F15	Y11-D13 PolarHBondContact O-N 2.99Å; D13-F15 PolarHBondContact O-N 3.33Å; D13-F15 VanDerWaalsContact O-N 3.07Å
14	N	38.5	Very low	34.7	Very low	165 Å²	165	134.7 Å²	134.7	88%	0.882	76%	0.761	S	S	*	*			trans	-77.5	33.1	163.4	-136.8	28.2	0	0	0	111.5	S12	S12-N14 PolarHBondContact O-N 3.18Å
15	F	35.2	Very low	35.9	Very low	173 Å²	173	131.3 Å²	131.3	76%	0.759	75%	0.748	S	S	*	*			trans	-114.6	87.6	163.7	-89.3	-82.6	0	0	0	107.2	D13 R17	D13-F15 PolarHBondContact O-N 3.33Å; D13-F15 VanDerWaalsContact O-N 3.07Å; F15-R17 PolarHBondContact O-N 3.24Å
16	G	28.6	Very low	37.3	Very low	81 Å²	81	126.8 Å²	126.8	84%	0.835	73%	0.734	S	S	*	*			trans	-58.7	91.8	161	0	0	0	0	0	109.2	G18	G16-G18 PolarHBondContact O-N 3.15Å
17	R	35.8	Very low	39.1	Very low	254 Å²	254	120.9 Å²	120.9	96%	0.958	71%	0.71	S	S	*	*			trans	-88.7	61.8	147.5	-129.4	-174.4	-173.3	-160.5	0.5	106.6	F15	F15-R17 PolarHBondContact O-N 3.24Å
18	G	27.7	Very low	40.9	Very low	60 Å²	60	120.1 Å²	120.1	62%	0.619	70%	0.696	S	S	*	*			trans	-82.3	124.8	161.6	0	0	0	0	0	106.8	G16 A20	G16-G18 PolarHBondContact O-N 3.15Å; G18-A20 PolarHBondContact O-N 3.1Å
19	E	37.9	Very low	43.2	Very low	211 Å²	211	123.4 Å²	123.4	99%	0.986	70%	0.696	S	S	*	*			trans	-56.3	103.2	162.9	-72.8	174.9	147.8	0	0	108.1
20	A	30.9	Very low	45.4	Very low	74 Å²	74	124.1 Å²	124.1	61%	0.612	69%	0.686	S	S	*	*			trans	-133.7	139.4	167.8	0	0	0	0	0	107.5	G18 G22	G18-A20 PolarHBondContact O-N 3.1Å; A20-G22 PolarHBondContact O-N 2.63Å
21	P	36.5	Very low	48	Very low	149 Å²	149	117.3 Å²	117.3	97%	0.968	67%	0.668	S	S	*	*	S	Bend	trans	-75.2	70.2	176.8	32.3	-32.8	0	0	0	110
22	G	34.2	Very low	50.7	Low	46 Å²	46	113.8 Å²	113.8	47%	0.474	66%	0.658	S	S	.	*			trans	-152.2	15.9	-176.5	0	0	0	0	0	114.4	A20 D24	A20-G22 PolarHBondContact O-N 2.63Å; G22-D24 PolarHBondContact O-N 3.06Å; G22-D24 VanDerWaalsContact O-N 3.14Å
23	G	40.8	Very low	53.3	Low	72 Å²	72	110.2 Å²	110.2	74%	0.742	63%	0.629	S	S	*	*	H	α-helix	trans	-64.7	-12.2	179	0	0	0	0	0	114.8
24	D	50.9	Low	56.1	Low	117 Å²	117	106.5 Å²	106.5	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-82.7	-31.6	-174.3	-136.7	19.1	0	0	0	112.8	G22 G26 G27 Q28	G22-D24 PolarHBondContact O-N 3.06Å; G22-D24 VanDerWaalsContact O-N 3.14Å; D24-G26 PolarHBondContact O-N 3.43Å; D24-G27 PolarHBondContact O-N 2.75Å; D24-Q28 WeakPolarHBondContact O-CB 3.49Å; D24-Q28 WeakPolarHBondContact O-CG 3.4Å; D24-Q28 PolarHBondContact O-N 2.87Å; D24-Q28 PolarHBondContact OD2-NE2 3.13Å
25	E	58.4	Low	58.5	Low	130 Å²	130	105 Å²	105	61%	0.607	59%	0.593	S	S	*	*	H	α-helix	trans	-68.3	-39.6	-178.7	-72.5	-166.7	165.6	0	0	113.1	Q28 K29	E25-Q28 PolarHBondContact O-N 3.24Å; E25-K29 WeakPolarHBondContact O-CB 3.28Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 3.23Å
26	G	65.1	Low	61.1	Low	41 Å²	41	101.9 Å²	101.9	42%	0.423	58%	0.576	S	S	.	*	H	α-helix	trans	-68.4	-37.3	177.7	0	0	0	0	0	112.4	D24 R30	D24-G26 PolarHBondContact O-N 3.43Å; G26-R30 WeakPolarHBondContact O-CG 3.27Å; G26-R30 PolarHBondContact O-N 3.37Å
27	G	73.6	Confident	64	Low	34 Å²	34	98 Å²	98	35%	0.351	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-45.8	173.5	0	0	0	0	0	111.9	D24 K29 R30 V31	D24-G27 PolarHBondContact O-N 2.75Å; G27-K29 PolarHBondContact O-N 3.06Å; G27-R30 PolarHBondContact O-N 3.03Å; G27-V31 WeakPolarHBondContact O-CG2 3.46Å; G27-V31 PolarHBondContact O-N 2.77Å
28	Q	75.2	Confident	66.6	Low	100 Å²	100	89.3 Å²	89.3	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-42.4	177	-73.1	172	11.5	0	0	112.1	D24 E25 R30 V31 Q32	D24-Q28 WeakPolarHBondContact O-CB 3.49Å; D24-Q28 WeakPolarHBondContact O-CG 3.4Å; D24-Q28 PolarHBondContact O-N 2.87Å; D24-Q28 PolarHBondContact OD2-NE2 3.13Å; E25-Q28 PolarHBondContact O-N 3.24Å; Q28-R30 PolarHBondContact O-N 3.38Å; Q28-V31 PolarHBondContact O-N 3.3Å; Q28-Q32 WeakPolarHBondContact O-CG 3.35Å; Q28-Q32 PolarHBondContact O-N 3.11Å
29	K	79.2	Confident	69.5	Low	123 Å²	123	91 Å²	91	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-44	174.4	-77.1	174.2	-177.1	172.2	0	112.3	E25 G27 V31 Q32 I33	E25-K29 WeakPolarHBondContact O-CB 3.28Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.45Å; E25-K29 PolarHBondContact O-N 3.23Å; G27-K29 PolarHBondContact O-N 3.06Å; K29-V31 PolarHBondContact O-N 3.33Å; K29-Q32 PolarHBondContact O-N 2.98Å; K29-I33 VanDerWaalsContact O-CG1 3.28Å; K29-I33 WeakPolarHBondContact O-CG1 3.31Å; K29-I33 PolarHBondContact O-N 3.28Å
30	R	81.4	Confident	72	Confident	126 Å²	126	81 Å²	81	48%	0.475	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-41.8	176.6	-74.3	178.4	173.7	178	-1	112.4	G26 G27 Q28 I33 K34 E96 L100	G26-R30 WeakPolarHBondContact O-CG 3.27Å; G26-R30 PolarHBondContact O-N 3.37Å; G27-R30 PolarHBondContact O-N 3.03Å; Q28-R30 PolarHBondContact O-N 3.38Å; R30-I33 PolarHBondContact O-N 3.03Å; R30-K34 WeakPolarHBondContact O-CB 3.23Å; R30-K34 PolarHBondContact O-N 3.03Å; R30-E96 IonicContact CZ-OE2 2.77Å; R30-E96 IonicContact NE-OE2 2.86Å; R30-E96 IonicContact NH2-OE1 3.88Å; R30-E96 IonicContact NH2-OE2 3.56Å; R30-E96 PolarHBondContact NH2-OE2 3.16Å; R30-L100 HydrophobicContact CB-CD1 4.36Å; R30-L100 HydrophobicContact CG-CD1 4.32Å
31	V	86	Confident	74.7	Confident	82 Å²	82	77.6 Å²	77.6	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-65.9	-40.3	177	174	0	0	0	0	111.3	G27 Q28 K29 K34 K35	G27-V31 WeakPolarHBondContact O-CG2 3.46Å; G27-V31 PolarHBondContact O-N 2.77Å; Q28-V31 PolarHBondContact O-N 3.3Å; K29-V31 PolarHBondContact O-N 3.33Å; V31-K34 PolarHBondContact O-N 3Å; V31-K35 WeakPolarHBondContact O-CG 3.38Å; V31-K35 PolarHBondContact O-N 3.15Å
32	Q	86.6	Confident	77	Confident	113 Å²	113	77.3 Å²	77.3	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-47.1	175.6	-74.1	176.3	2.1	0	0	111.8	Q28 K29 K34 K35 R36	Q28-Q32 WeakPolarHBondContact O-CG 3.35Å; Q28-Q32 PolarHBondContact O-N 3.11Å; K29-Q32 PolarHBondContact O-N 2.98Å; Q32-K34 VanDerWaalsContact C-N 3.32Å; Q32-K34 PolarHBondContact O-N 3.33Å; Q32-K35 PolarHBondContact O-N 3.23Å; Q32-R36 PolarHBondContact O-N 2.89Å
33	I	85.9	Confident	79.5	Confident	46 Å²	46	80.1 Å²	80.1	24%	0.236	40%	0.4	C	S	.	.	H	α-helix	trans	-59	-44.8	176.8	-70.2	166.7	0	0	0	110.6	K29 R30 K35 R36 F37 L100	K29-I33 VanDerWaalsContact O-CG1 3.28Å; K29-I33 WeakPolarHBondContact O-CG1 3.31Å; K29-I33 PolarHBondContact O-N 3.28Å; R30-I33 PolarHBondContact O-N 3.03Å; I33-K35 VanDerWaalsContact C-N 3.35Å; I33-K35 PolarHBondContact O-N 3.44Å; I33-R36 PolarHBondContact O-N 2.92Å; I33-F37 HydrophobicContact CG2-CD2 3.61Å; I33-F37 HydrophobicContact CG2-CE2 3.27Å; I33-F37 HydrophobicContact CG2-CZ 4.25Å; I33-F37 VanDerWaalsContact O-CD2 3.29Å; I33-F37 WeakPolarHBondContact O-CD2 3.41Å; I33-F37 PolarHBondContact O-N 3.24Å; I33-L100 HydrophobicContact CG2-CD1 4.28Å
34	K	89.3	Confident	81.5	Confident	40 Å²	40	77.9 Å²	77.9	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-42.6	176.2	-177.1	176.4	175.2	177.3	0	112.5	R30 V31 Q32 F37 R38 E103 A104 E107	R30-K34 WeakPolarHBondContact O-CB 3.23Å; R30-K34 PolarHBondContact O-N 3.03Å; V31-K34 PolarHBondContact O-N 3Å; Q32-K34 VanDerWaalsContact C-N 3.32Å; Q32-K34 PolarHBondContact O-N 3.33Å; K34-F37 PolarHBondContact O-N 2.82Å; K34-R38 WeakPolarHBondContact O-CB 2.95Å; K34-R38 PolarHBondContact O-N 3Å; K34-E103 IonicContact NZ-OE2 3.24Å; K34-E103 PolarHBondContact NZ-OE2 3.09Å; K34-A104 HydrophobicContact CG-CB 4.37Å; K34-E107 WeakPolarHBondContact CE-OE1 3.45Å; K34-E107 IonicContact NZ-OE1 3.77Å; K34-E107 PolarHBondContact NZ-OE1 3.36Å
35	K	89.4	Confident	83.1	Confident	132 Å²	132	80.3 Å²	80.3	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-62	-42.5	175.8	-75.4	179.8	-179.5	-176.5	0	111.9	V31 Q32 I33 R38 E39	V31-K35 WeakPolarHBondContact O-CG 3.38Å; V31-K35 PolarHBondContact O-N 3.15Å; Q32-K35 PolarHBondContact O-N 3.23Å; I33-K35 VanDerWaalsContact C-N 3.35Å; I33-K35 PolarHBondContact O-N 3.44Å; K35-R38 WeakPolarHBondContact O-CB 3.5Å; K35-R38 PolarHBondContact O-N 3.36Å; K35-E39 PolarHBondContact O-N 3.42Å
36	R	89.6	Confident	84	Confident	108 Å²	108	77 Å²	77	41%	0.408	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.6	-68	-172.5	-178.6	-167.3	4.8	112.4	Q32 I33 R38 E39 F40 D83 L86	Q32-R36 PolarHBondContact O-N 2.89Å; I33-R36 PolarHBondContact O-N 2.92Å; R36-R38 VanDerWaalsContact C-N 3.27Å; R36-R38 PolarHBondContact O-N 3.41Å; R36-E39 PolarHBondContact O-N 3.19Å; R36-F40 PolarHBondContact O-N 3.46Å; R36-D83 IonicContact CZ-OD2 3.96Å; R36-D83 IonicContact NH1-OD2 3.18Å; R36-D83 PolarHBondContact NH1-OD2 3.18Å; R36-L86 HydrophobicContact CB-CD1 3.68Å
37	F	89.6	Confident	84	Confident	1 Å²	1	77 Å²	77	0%	0.004	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-39.5	173.6	-78.2	-54.5	0	0	0	112.3	I33 K34 F40 L41 L79 L86 N97 L101 A104	I33-F37 HydrophobicContact CG2-CD2 3.61Å; I33-F37 HydrophobicContact CG2-CE2 3.27Å; I33-F37 HydrophobicContact CG2-CZ 4.25Å; I33-F37 VanDerWaalsContact O-CD2 3.29Å; I33-F37 WeakPolarHBondContact O-CD2 3.41Å; I33-F37 PolarHBondContact O-N 3.24Å; K34-F37 PolarHBondContact O-N 2.82Å; F37-F40 WeakPolarHBondContact O-CB 3.32Å; F37-F40 PolarHBondContact O-N 3.46Å; F37-L41 WeakPolarHBondContact O-CG 3.41Å; F37-L41 PolarHBondContact O-N 3.29Å; F37-L41 VanDerWaalsContact O-N 3.09Å; F37-L79 HydrophobicContact CD1-CD1 4.49Å; F37-L79 HydrophobicContact CE1-CD1 4.39Å; F37-L79 HydrophobicContact CE1-CD2 4.34Å; F37-L86 HydrophobicContact CD1-CD1 3.9Å; F37-L86 HydrophobicContact CD1-CD2 3.53Å; F37-L86 HydrophobicContact CD1-CG 4.02Å; F37-L86 HydrophobicContact CD2-CD1 4.29Å; F37-L86 HydrophobicContact CE1-CD1 3.83Å; F37-L86 HydrophobicContact CE1-CD2 3.25Å; F37-L86 HydrophobicContact CE1-CG 3.52Å; F37-L86 HydrophobicContact CE2-CD1 4.22Å; F37-L86 HydrophobicContact CG-CD1 4.13Å; F37-L86 HydrophobicContact CZ-CD1 3.97Å; F37-L86 HydrophobicContact CZ-CD2 4.04Å; F37-L86 HydrophobicContact CZ-CG 3.79Å; F37-N97 HydrophobicContact CE2-CB 4.43Å; F37-N97 HydrophobicContact CZ-CB 4.44Å; F37-L101 HydrophobicContact CB-CD1 3.99Å; F37-L101 HydrophobicContact CD1-CD1 3.59Å; F37-L101 HydrophobicContact CE1-CD1 4.21Å; F37-L101 HydrophobicContact CG-CD1 3.88Å; F37-A104 HydrophobicContact CB-CB 3.94Å
38	R	89.9	Confident	83.4	Confident	70 Å²	70	79.8 Å²	79.8	26%	0.264	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-42	175.6	176.6	176.1	171.4	-174.5	-10.5	112.2	K34 K35 R36 R42 A104 E107 V108 E111	K34-R38 WeakPolarHBondContact O-CB 2.95Å; K34-R38 PolarHBondContact O-N 3Å; K35-R38 WeakPolarHBondContact O-CB 3.5Å; K35-R38 PolarHBondContact O-N 3.36Å; R36-R38 VanDerWaalsContact C-N 3.27Å; R36-R38 PolarHBondContact O-N 3.41Å; R38-R42 WeakPolarHBondContact O-CB 3.44Å; R38-R42 PolarHBondContact O-N 3.03Å; R38-A104 HydrophobicContact CB-CB 4.21Å; R38-E107 IonicContact CZ-OE2 3.58Å; R38-E107 IonicContact NH1-OE2 2.57Å; R38-E107 PolarHBondContact NH1-OE2 3.02Å; R38-V108 HydrophobicContact CG-CG2 3.81Å; R38-E111 IonicContact CZ-OE1 3.24Å; R38-E111 IonicContact CZ-OE2 3.71Å; R38-E111 IonicContact NE-OE2 3.3Å; R38-E111 IonicContact NH2-OE1 3Å; R38-E111 PolarHBondContact NH2-OE1 2.91Å; R38-E111 IonicContact NH2-OE2 3.41Å; R38-E111 PolarHBondContact NH2-OE2 3.01Å
39	E	89.4	Confident	82.5	Confident	97 Å²	97	81.8 Å²	81.8	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-42.2	175.6	-76	174	-176.1	0	0	111.6	K35 R36 R42 Q43	K35-E39 PolarHBondContact O-N 3.42Å; R36-E39 PolarHBondContact O-N 3.19Å; E39-R42 PolarHBondContact O-N 2.83Å; E39-R42 VanDerWaalsContact O-N 3.15Å; E39-Q43 VanDerWaalsContact O-CB 3.32Å; E39-Q43 WeakPolarHBondContact O-CB 3.41Å; E39-Q43 WeakPolarHBondContact O-CG 3.38Å; E39-Q43 PolarHBondContact O-N 3.03Å
40	F	90	Very high	81.3	Confident	0 Å²	0	87.5 Å²	87.5	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-54.9	-55.4	174.2	168.2	-104.5	0	0	0	111.7	R36 F37 R42 Q43 F44 Y57 V74 D78 L79 F82	R36-F40 PolarHBondContact O-N 3.46Å; F37-F40 WeakPolarHBondContact O-CB 3.32Å; F37-F40 PolarHBondContact O-N 3.46Å; F40-R42 PolarHBondContact O-N 3.22Å; F40-R42 VanDerWaalsContact O-N 3.09Å; F40-Q43 PolarHBondContact O-N 2.92Å; F40-F44 HydrophobicContact CD2-CB 4.33Å; F40-F44 HydrophobicContact CD2-CD2 4.18Å; F40-F44 HydrophobicContact CE2-CB 4.18Å; F40-F44 AromaticContact CE2-CD2 3.59Å; F40-F44 HydrophobicContact CE2-CD2 3.59Å; F40-F44 HydrophobicContact CE2-CE2 4.22Å; F40-F44 AromaticContact CE2-CG 3.97Å; F40-F44 HydrophobicContact CE2-CG 3.97Å; F40-F44 HydrophobicContact CZ-CD2 4.44Å; F40-F44 HydrophobicContact CZ-CG 4.49Å; F40-F44 VanDerWaalsContact O-CB 3.25Å; F40-F44 WeakPolarHBondContact O-CB 3.25Å; F40-F44 PolarHBondContact O-N 3.29Å; F40-Y57 HydrophobicContact CE1-CD2 4.13Å; F40-Y57 AromaticContact CE1-CE2 3.87Å; F40-Y57 HydrophobicContact CE1-CE2 3.87Å; F40-Y57 HydrophobicContact CE2-CE2 4.25Å; F40-Y57 HydrophobicContact CZ-CD2 4.07Å; F40-Y57 AromaticContact CZ-CE2 3.45Å; F40-Y57 HydrophobicContact CZ-CE2 3.45Å; F40-Y57 VanDerWaalsContact CZ-CE2 3.45Å; F40-V74 HydrophobicContact CE1-CG1 3.9Å; F40-V74 HydrophobicContact CZ-CG1 4.27Å; F40-D78 HydrophobicContact CE2-CB 4.45Å; F40-D78 HydrophobicContact CZ-CB 4.22Å; F40-L79 HydrophobicContact CD1-CD1 3.6Å; F40-L79 HydrophobicContact CD2-CD1 3.88Å; F40-L79 HydrophobicContact CE1-CD1 3.59Å; F40-L79 HydrophobicContact CE2-CB 4.43Å; F40-L79 HydrophobicContact CE2-CD1 3.86Å; F40-L79 HydrophobicContact CG-CD1 3.75Å; F40-L79 HydrophobicContact CZ-CB 4.22Å; F40-L79 HydrophobicContact CZ-CD1 3.7Å; F40-F82 HydrophobicContact CB-CD1 3.98Å; F40-F82 HydrophobicContact CB-CE1 4.06Å; F40-F82 HydrophobicContact CD2-CB 3.71Å; F40-F82 AromaticContact CD2-CD1 3.88Å; F40-F82 HydrophobicContact CD2-CD1 3.88Å; F40-F82 HydrophobicContact CD2-CD2 4.49Å; F40-F82 AromaticContact CD2-CG 3.78Å; F40-F82 HydrophobicContact CD2-CG 3.78Å; F40-F82 HydrophobicContact CE2-CB 4.08Å; F40-F82 HydrophobicContact CG-CD1 4.42Å
41	L	87.3	Confident	80.2	Confident	3 Å²	3	86.7 Å²	86.7	2%	0.016	41%	0.411	C	S	.	.	H	α-helix	trans	-60.7	-24.3	-180	-69.5	175.7	0	0	0	113.2	F37 Y57 V74 L101 A105 V108	F37-L41 WeakPolarHBondContact O-CG 3.41Å; F37-L41 PolarHBondContact O-N 3.29Å; F37-L41 VanDerWaalsContact O-N 3.09Å; L41-Y57 HydrophobicContact CD2-CG 4.2Å; L41-V74 HydrophobicContact CD2-CG2 4.43Å; L41-L101 HydrophobicContact CD1-CD1 4.36Å; L41-A105 HydrophobicContact CD1-CB 3.87Å; L41-V108 HydrophobicContact CB-CG2 4.17Å
42	R	86	Confident	78.9	Confident	143 Å²	143	84.7 Å²	84.7	54%	0.54	41%	0.406	S	S	.	.	H	α-helix	trans	-89.3	-39.5	-179.3	-176	176.8	176.4	178.9	0.5	113.4	R38 E39 F40	R38-R42 WeakPolarHBondContact O-CB 3.44Å; R38-R42 PolarHBondContact O-N 3.03Å; E39-R42 PolarHBondContact O-N 2.83Å; E39-R42 VanDerWaalsContact O-N 3.15Å; F40-R42 PolarHBondContact O-N 3.22Å; F40-R42 VanDerWaalsContact O-N 3.09Å
43	Q	85.8	Confident	78.3	Confident	105 Å²	105	84.9 Å²	84.9	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-100.2	-18.2	-167.9	-65.1	-178.1	4.2	0	0	113.4	E39 F40 R45 F82	E39-Q43 VanDerWaalsContact O-CB 3.32Å; E39-Q43 WeakPolarHBondContact O-CB 3.41Å; E39-Q43 WeakPolarHBondContact O-CG 3.38Å; E39-Q43 PolarHBondContact O-N 3.03Å; F40-Q43 PolarHBondContact O-N 2.92Å; Q43-R45 PolarHBondContact O-N 2.96Å; Q43-F82 HydrophobicContact CB-CE2 4.28Å
44	F	83.9	Confident	77.9	Confident	24 Å²	24	86.1 Å²	86.1	11%	0.105	42%	0.415	C	S	.	.			trans	-61.4	126.5	-177.1	-167.1	-98.6	0	0	0	111.4	F40 V46 Y57 D78	F40-F44 HydrophobicContact CD2-CB 4.33Å; F40-F44 HydrophobicContact CD2-CD2 4.18Å; F40-F44 HydrophobicContact CE2-CB 4.18Å; F40-F44 AromaticContact CE2-CD2 3.59Å; F40-F44 HydrophobicContact CE2-CD2 3.59Å; F40-F44 HydrophobicContact CE2-CE2 4.22Å; F40-F44 AromaticContact CE2-CG 3.97Å; F40-F44 HydrophobicContact CE2-CG 3.97Å; F40-F44 HydrophobicContact CZ-CD2 4.44Å; F40-F44 HydrophobicContact CZ-CG 4.49Å; F40-F44 VanDerWaalsContact O-CB 3.25Å; F40-F44 WeakPolarHBondContact O-CB 3.25Å; F40-F44 PolarHBondContact O-N 3.29Å; F44-V46 HydrophobicContact CD1-CG2 4.17Å; F44-V46 HydrophobicContact CE1-CG2 3.53Å; F44-V46 HydrophobicContact CZ-CG2 4.34Å; F44-Y57 HydrophobicContact CB-CD2 3.92Å; F44-Y57 HydrophobicContact CB-CE2 4.2Å; F44-Y57 AromaticContact CD1-CD2 3.72Å; F44-Y57 HydrophobicContact CD1-CD2 3.72Å; F44-Y57 AromaticContact CD1-CE2 3.38Å; F44-Y57 HydrophobicContact CD1-CE2 3.38Å; F44-Y57 AromaticContact CE1-CE2 3.91Å; F44-Y57 HydrophobicContact CE1-CE2 3.91Å; F44-Y57 HydrophobicContact CG-CD2 4.04Å; F44-Y57 AromaticContact CG-CE2 3.84Å; F44-Y57 HydrophobicContact CG-CE2 3.84Å; F44-D78 HydrophobicContact CD1-CB 4.49Å; F44-D78 HydrophobicContact CD2-CB 4.47Å; F44-D78 HydrophobicContact CE1-CB 3.72Å; F44-D78 WeakPolarHBondContact CE1-OD2 3.34Å; F44-D78 HydrophobicContact CE2-CB 3.72Å; F44-D78 WeakPolarHBondContact CE2-O 3.24Å; F44-D78 HydrophobicContact CZ-CB 3.3Å; F44-D78 VanDerWaalsContact CZ-OD1 3.23Å; F44-D78 WeakPolarHBondContact CZ-OD1 3.14Å
45	R	82.7	Confident	77.6	Confident	168 Å²	168	89.1 Å²	89.1	63%	0.634	43%	0.426	S	S	*	.			trans	-128.3	135.8	-172.1	60.1	-177.8	177.9	178.1	-1.5	110.2	Q43 T54	Q43-R45 PolarHBondContact O-N 2.96Å; R45-T54 WeakPolarHBondContact CA-O 3.44Å
46	V	77.7	Confident	77.4	Confident	62 Å²	62	84.9 Å²	84.9	38%	0.376	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-120	132	174	-177.9	0	0	0	0	108.6	F44 T54 K56	F44-V46 HydrophobicContact CD1-CG2 4.17Å; F44-V46 HydrophobicContact CE1-CG2 3.53Å; F44-V46 HydrophobicContact CZ-CG2 4.34Å; V46-T54 PolarHBondContact N-O 3.42Å; V46-T54 PolarHBondContact O-N 3.24Å; V46-T54 VanDerWaalsContact O-N 3.11Å; V46-T54 PolarHBondContact O-OG1 3.5Å; V46-K56 HydrophobicContact CG2-CB 4.04Å; V46-K56 HydrophobicContact CG2-CD 3.93Å
47	G	64.9	Low	77.2	Confident	39 Å²	39	79.8 Å²	79.8	40%	0.402	39%	0.389	S	S	.	.			trans	134	149.8	-179.5	0	0	0	0	0	112.8
48	T	62.1	Low	77.1	Confident	93 Å²	93	84.7 Å²	84.7	57%	0.571	41%	0.407	S	S	*	.			trans	-93.8	163.5	168.8	57.6	0	0	0	0	109.4	R50 T51	T48-R50 PolarHBondContact O-N 3.46Å; T48-T51 PolarHBondContact N-OG1 2.9Å; T48-T51 PolarHBondContact O-N 3.48Å; T48-T51 PolarHBondContact O-OG1 3.49Å
49	D	55.9	Low	76.9	Confident	143 Å²	143	84.3 Å²	84.3	77%	0.765	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-17.7	179.8	-64.3	-26.6	0	0	0	113.9	F53	D49-F53 VanDerWaalsContact OD1-CZ 3.28Å; D49-F53 WeakPolarHBondContact OD1-CZ 3.33Å
50	R	53.1	Low	76.7	Confident	243 Å²	243	82.1 Å²	82.1	92%	0.917	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-24.3	179.9	-66.6	-176.4	177.2	177.1	-0.6	115.1	T48	T48-R50 PolarHBondContact O-N 3.46Å
51	T	59.3	Low	76.6	Confident	109 Å²	109	82.3 Å²	82.3	67%	0.669	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-3	-171.8	54.8	0	0	0	0	113.8	T48	T48-T51 PolarHBondContact N-OG1 2.9Å; T48-T51 PolarHBondContact O-N 3.48Å; T48-T51 PolarHBondContact O-OG1 3.49Å
52	G	57.9	Low	76.5	Confident	39 Å²	39	87.3 Å²	87.3	40%	0.402	42%	0.423	S	S	.	.			trans	84.8	146.7	-173	0	0	0	0	0	112.4
53	F	74.2	Confident	76.6	Confident	117 Å²	117	88.6 Å²	88.6	51%	0.513	43%	0.428	S	S	.	.			trans	-79.5	126.1	176.4	-61.5	-70.2	0	0	0	110.1	D49	D49-F53 VanDerWaalsContact OD1-CZ 3.28Å; D49-F53 WeakPolarHBondContact OD1-CZ 3.33Å
54	T	77.9	Confident	76.7	Confident	72 Å²	72	85.1 Å²	85.1	44%	0.442	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-119.1	135.1	172.8	57.7	0	0	0	0	110.5	R45 V46 K56	R45-T54 WeakPolarHBondContact CA-O 3.44Å; V46-T54 PolarHBondContact N-O 3.42Å; V46-T54 PolarHBondContact O-N 3.24Å; V46-T54 VanDerWaalsContact O-N 3.11Å; V46-T54 PolarHBondContact O-OG1 3.5Å; T54-K56 PolarHBondContact O-N 2.7Å
55	Y	82.8	Confident	76.7	Confident	103 Å²	103	84.9 Å²	84.9	40%	0.404	41%	0.41	S	S	.	.			trans	-91.8	85.3	176.9	-69.6	-78.1	0	0	0	109.1	Y57 R58 D59	Y55-Y57 PolarHBondContact O-N 3.14Å; Y55-R58 PolarHBondContact O-N 2.97Å; Y55-D59 WeakPolarHBondContact O-CB 3.41Å; Y55-D59 PolarHBondContact O-N 3.03Å
56	K	84.6	Confident	76.8	Confident	44 Å²	44	82 Å²	82	19%	0.191	41%	0.411	C	S	.	.	H	α-helix	trans	-44.8	-64.6	-173.2	-175.9	176.7	174.2	-172.9	0	112.7	V46 T54 R58 D59 E60 E75 D78	V46-K56 HydrophobicContact CG2-CB 4.04Å; V46-K56 HydrophobicContact CG2-CD 3.93Å; T54-K56 PolarHBondContact O-N 2.7Å; K56-R58 PolarHBondContact O-N 3.39Å; K56-D59 PolarHBondContact O-N 3.12Å; K56-E60 WeakPolarHBondContact O-CB 3.19Å; K56-E60 VanDerWaalsContact O-CG 3.3Å; K56-E60 WeakPolarHBondContact O-CG 3.13Å; K56-E60 PolarHBondContact O-N 3.26Å; K56-E75 IonicContact NZ-OE1 2.75Å; K56-E75 PolarHBondContact NZ-OE1 3.22Å; K56-E75 IonicContact NZ-OE2 2.78Å; K56-E75 PolarHBondContact NZ-OE2 3.09Å; K56-D78 IonicContact NZ-OD2 2.71Å; K56-D78 PolarHBondContact NZ-OD2 2.97Å
57	Y	87.2	Confident	77.3	Confident	1 Å²	1	85 Å²	85	0%	0.004	43%	0.425	C	S	.	.	H	α-helix	trans	-68.7	-33	-174.8	-61.5	-58.6	0	0	0	114.4	F40 L41 F44 Y55 L61 V72 E73 V74 E75 D78	F40-Y57 HydrophobicContact CE1-CD2 4.13Å; F40-Y57 AromaticContact CE1-CE2 3.87Å; F40-Y57 HydrophobicContact CE1-CE2 3.87Å; F40-Y57 HydrophobicContact CE2-CE2 4.25Å; F40-Y57 HydrophobicContact CZ-CD2 4.07Å; F40-Y57 AromaticContact CZ-CE2 3.45Å; F40-Y57 HydrophobicContact CZ-CE2 3.45Å; F40-Y57 VanDerWaalsContact CZ-CE2 3.45Å; L41-Y57 HydrophobicContact CD2-CG 4.2Å; F44-Y57 HydrophobicContact CB-CD2 3.92Å; F44-Y57 HydrophobicContact CB-CE2 4.2Å; F44-Y57 AromaticContact CD1-CD2 3.72Å; F44-Y57 HydrophobicContact CD1-CD2 3.72Å; F44-Y57 AromaticContact CD1-CE2 3.38Å; F44-Y57 HydrophobicContact CD1-CE2 3.38Å; F44-Y57 AromaticContact CE1-CE2 3.91Å; F44-Y57 HydrophobicContact CE1-CE2 3.91Å; F44-Y57 HydrophobicContact CG-CD2 4.04Å; F44-Y57 AromaticContact CG-CE2 3.84Å; F44-Y57 HydrophobicContact CG-CE2 3.84Å; Y55-Y57 PolarHBondContact O-N 3.14Å; Y57-L61 WeakPolarHBondContact O-CB 3.4Å; Y57-L61 WeakPolarHBondContact O-CD1 3.48Å; Y57-L61 WeakPolarHBondContact O-CG 3.31Å; Y57-L61 PolarHBondContact O-N 3.49Å; Y57-V72 HydrophobicContact CD1-CG1 4.3Å; Y57-E73 VanDerWaalsContact CE1-O 3.26Å; Y57-E73 WeakPolarHBondContact CE1-O 3.28Å; Y57-V74 HydrophobicContact CD1-CG2 4.41Å; Y57-V74 HydrophobicContact CE1-CB 4.34Å; Y57-V74 HydrophobicContact CE1-CG1 4.42Å; Y57-V74 HydrophobicContact CE1-CG2 4.18Å; Y57-E75 PolarHBondContact OH-N 3.31Å; Y57-E75 VanDerWaalsContact OH-N 3.07Å; Y57-D78 HydrophobicContact CE2-CB 4.18Å; Y57-D78 VanDerWaalsContact OH-CB 3.26Å; Y57-D78 WeakPolarHBondContact OH-CB 3.22Å; Y57-D78 PolarHBondContact OH-OD2 3.24Å
58	R	85.5	Confident	78.2	Confident	103 Å²	103	85 Å²	85	39%	0.389	42%	0.424	S	S	.	.	H	α-helix	trans	-70	-44.9	179.3	-172.7	-174.8	175.8	-176.1	-1.5	111.4	Y55 K56 K62 V112	Y55-R58 PolarHBondContact O-N 2.97Å; K56-R58 PolarHBondContact O-N 3.39Å; R58-K62 WeakPolarHBondContact O-CB 3.33Å; R58-K62 PolarHBondContact O-N 2.95Å; R58-V112 HydrophobicContact CG-CG1 4.32Å; R58-V112 HydrophobicContact CG-CG2 3.77Å
59	D	86.3	Confident	79.4	Confident	62 Å²	62	84.1 Å²	84.1	33%	0.332	41%	0.413	S	S	.	.	H	α-helix	trans	-71.3	-38.3	-179.5	-68.7	-22.5	0	0	0	110.7	Y55 K56 K62 R63	Y55-D59 WeakPolarHBondContact O-CB 3.41Å; Y55-D59 PolarHBondContact O-N 3.03Å; K56-D59 PolarHBondContact O-N 3.12Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-R63 WeakPolarHBondContact O-CB 3.45Å; D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.15Å
60	E	85.9	Confident	80.9	Confident	51 Å²	51	78.4 Å²	78.4	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-50.6	171.7	-77.9	175.4	-174.1	0	0	112.1	K56 K62 R63 H64	K56-E60 WeakPolarHBondContact O-CB 3.19Å; K56-E60 VanDerWaalsContact O-CG 3.3Å; K56-E60 WeakPolarHBondContact O-CG 3.13Å; K56-E60 PolarHBondContact O-N 3.26Å; E60-K62 VanDerWaalsContact C-N 3.28Å; E60-K62 PolarHBondContact O-N 3.46Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 VanDerWaalsContact O-N 3.15Å; E60-H64 WeakPolarHBondContact O-CB 3.45Å; E60-H64 PolarHBondContact O-N 2.99Å
61	L	87.3	Confident	82.6	Confident	5 Å²	5	68 Å²	68	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-53.2	-46.9	175.5	-91.8	165.8	0	0	0	111.7	Y57 Y65 V72 V108 A109 I126	Y57-L61 WeakPolarHBondContact O-CB 3.4Å; Y57-L61 WeakPolarHBondContact O-CD1 3.48Å; Y57-L61 WeakPolarHBondContact O-CG 3.31Å; Y57-L61 PolarHBondContact O-N 3.49Å; L61-Y65 WeakPolarHBondContact O-CB 3.2Å; L61-Y65 PolarHBondContact O-N 3.01Å; L61-V72 HydrophobicContact CD1-CG2 4.42Å; L61-V72 HydrophobicContact CD2-CG2 3.14Å; L61-V72 HydrophobicContact CG-CG2 3.49Å; L61-V72 VanDerWaalsContact CG-CG2 3.49Å; L61-V108 HydrophobicContact CD1-CB 4.45Å; L61-V108 HydrophobicContact CD1-CG1 4.01Å; L61-A109 HydrophobicContact CD2-CB 4.21Å; L61-I126 HydrophobicContact CD2-CD1 3.89Å
62	K	86.4	Confident	84.1	Confident	108 Å²	108	62.9 Å²	62.9	47%	0.47	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-44.7	179.3	-171.4	179	178.6	-178.9	0	111.7	R58 D59 E60 T66 V112	R58-K62 WeakPolarHBondContact O-CB 3.33Å; R58-K62 PolarHBondContact O-N 2.95Å; D59-K62 PolarHBondContact O-N 3.35Å; E60-K62 VanDerWaalsContact C-N 3.28Å; E60-K62 PolarHBondContact O-N 3.46Å; K62-T66 WeakPolarHBondContact O-CB 3.33Å; K62-T66 PolarHBondContact O-N 3.47Å; K62-T66 PolarHBondContact O-OG1 3.07Å; K62-V112 HydrophobicContact CB-CG1 3.79Å; K62-V112 HydrophobicContact CD-CG1 3.96Å; K62-V112 HydrophobicContact CG-CG1 3.98Å
63	R	87.5	Confident	85.6	Confident	170 Å²	170	63.3 Å²	63.3	64%	0.642	30%	0.302	S	S	*	.	H	α-helix	trans	-62.8	-51.8	179.2	-75.3	172.3	-175.6	-179.1	4	111	D59 E60 Y65 T66 L67	D59-R63 WeakPolarHBondContact O-CB 3.45Å; D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.15Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 VanDerWaalsContact O-N 3.15Å; R63-Y65 PolarHBondContact O-N 3.43Å; R63-T66 PolarHBondContact O-N 2.96Å; R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 2.96Å
64	H	87.7	Confident	86.3	Confident	32 Å²	32	57.8 Å²	57.8	15%	0.148	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-43.4	-179.1	-68.2	-178.4	0	0	0	111.5	E60 T66 L67 G68 E69 W71	E60-H64 WeakPolarHBondContact O-CB 3.45Å; E60-H64 PolarHBondContact O-N 2.99Å; H64-T66 VanDerWaalsContact C-N 3.34Å; H64-T66 PolarHBondContact O-N 3.29Å; H64-L67 CarbonylContact O-C 3.56Å; H64-L67 PolarHBondContact O-N 3.45Å; H64-L67 VanDerWaalsContact O-N 3.11Å; H64-G68 PolarHBondContact O-N 3.3Å; H64-G68 VanDerWaalsContact O-N 3.14Å; H64-E69 CarbonylContact C-O 3.56Å; H64-E69 HydrophobicContact CB-CB 4.27Å; H64-E69 VanDerWaalsContact CB-O 3.3Å; H64-E69 WeakPolarHBondContact CB-O 3.41Å; H64-E69 PolarHBondContact O-N 2.87Å; H64-E69 VanDerWaalsContact O-O 3.08Å; H64-W71 AromaticContact CE1-CE3 3.81Å; H64-W71 AromaticContact CE1-CH2 3.42Å; H64-W71 VanDerWaalsContact CE1-CH2 3.42Å; H64-W71 WeakPolarHBondContact CE1-CH2 3.41Å; H64-W71 AromaticContact CE1-CZ2 3.83Å; H64-W71 AromaticContact CE1-CZ3 3.39Å; H64-W71 WeakPolarHBondContact CE1-CZ3 3.44Å; H64-W71 AromaticContact ND1-CE3 3.95Å; H64-W71 PolarHBondContact ND1-O 2.74Å; H64-W71 AromaticContact NE2-CH2 3.95Å
65	Y	84.7	Confident	86.9	Confident	18 Å²	18	57.5 Å²	57.5	7%	0.071	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-42	176.2	-163.9	-82.1	0	0	0	112.2	L61 R63 L67 G68 F70 T113 R116	L61-Y65 WeakPolarHBondContact O-CB 3.2Å; L61-Y65 PolarHBondContact O-N 3.01Å; R63-Y65 PolarHBondContact O-N 3.43Å; Y65-L67 PolarHBondContact O-N 3.3Å; Y65-G68 PolarHBondContact O-N 3.05Å; Y65-G68 VanDerWaalsContact O-N 3.12Å; Y65-F70 HydrophobicContact CD2-CD1 4.15Å; Y65-F70 HydrophobicContact CD2-CE1 4.08Å; Y65-F70 HydrophobicContact CE2-CD1 4.25Å; Y65-F70 AromaticContact CE2-CE1 3.95Å; Y65-F70 HydrophobicContact CE2-CE1 3.95Å; Y65-T113 HydrophobicContact CD1-CG2 3.43Å; Y65-T113 VanDerWaalsContact CD1-CG2 3.43Å; Y65-T113 HydrophobicContact CE1-CG2 3.51Å; Y65-T113 HydrophobicContact CG-CG2 4.38Å; Y65-R116 PolarHBondContact OH-NE 3.13Å; Y65-R116 VanDerWaalsContact OH-NE 3.1Å; Y65-R116 PolarHBondContact OH-NH2 2.94Å
66	T	84.8	Confident	87.1	Confident	109 Å²	109	52.7 Å²	52.7	67%	0.669	25%	0.253	S	S	*	.	H	α-helix	trans	-65.1	-29.6	177.4	-52.2	0	0	0	0	112.2	K62 R63 H64 G68	K62-T66 WeakPolarHBondContact O-CB 3.33Å; K62-T66 PolarHBondContact O-N 3.47Å; K62-T66 PolarHBondContact O-OG1 3.07Å; R63-T66 PolarHBondContact O-N 2.96Å; H64-T66 VanDerWaalsContact C-N 3.34Å; H64-T66 PolarHBondContact O-N 3.29Å; T66-G68 VanDerWaalsContact C-N 3.32Å
67	L	87.4	Confident	87.2	Confident	125 Å²	125	54.7 Å²	54.7	65%	0.654	26%	0.263	S	S	*	.	H	α-helix	trans	-82.9	-6.4	176.8	-67.4	170.1	0	0	0	113.3	R63 H64 Y65 E69	R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 2.96Å; H64-L67 CarbonylContact O-C 3.56Å; H64-L67 PolarHBondContact O-N 3.45Å; H64-L67 VanDerWaalsContact O-N 3.11Å; Y65-L67 PolarHBondContact O-N 3.3Å; L67-E69 VanDerWaalsContact C-N 3.28Å; L67-E69 HydrophobicContact CB-CG 4.34Å
68	G	84.1	Confident	87.3	Confident	37 Å²	37	55.7 Å²	55.7	38%	0.381	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	17.2	-173.1	0	0	0	0	0	113.8	H64 Y65 T66 F70	H64-G68 PolarHBondContact O-N 3.3Å; H64-G68 VanDerWaalsContact O-N 3.14Å; Y65-G68 PolarHBondContact O-N 3.05Å; Y65-G68 VanDerWaalsContact O-N 3.12Å; T66-G68 VanDerWaalsContact C-N 3.32Å; G68-F70 WeakPolarHBondContact O-CE2 3.23Å
69	E	86.2	Confident	87.3	Confident	76 Å²	76	50.8 Å²	50.8	36%	0.355	25%	0.25	S	S	.	.			trans	-96.6	112.3	174.6	-65.3	-167.4	-167.4	0	0	109.6	H64 L67 W71	H64-E69 CarbonylContact C-O 3.56Å; H64-E69 HydrophobicContact CB-CB 4.27Å; H64-E69 VanDerWaalsContact CB-O 3.3Å; H64-E69 WeakPolarHBondContact CB-O 3.41Å; H64-E69 PolarHBondContact O-N 2.87Å; H64-E69 VanDerWaalsContact O-O 3.08Å; L67-E69 VanDerWaalsContact C-N 3.28Å; L67-E69 HydrophobicContact CB-CG 4.34Å; E69-W71 PolarHBondContact O-N 3.41Å; E69-W71 WeakPolarHBondContact OE2-CZ2 3.29Å; E69-W71 PolarHBondContact OE2-NE1 3.39Å
70	F	87.9	Confident	87.4	Confident	22 Å²	22	49.9 Å²	49.9	10%	0.096	25%	0.251	C	S	.	.			trans	-96.6	54.9	-174.5	-52.8	-67.7	0	0	0	112.4	Y65 G68 Q124 I126 Q127 Y254	Y65-F70 HydrophobicContact CD2-CD1 4.15Å; Y65-F70 HydrophobicContact CD2-CE1 4.08Å; Y65-F70 HydrophobicContact CE2-CD1 4.25Å; Y65-F70 AromaticContact CE2-CE1 3.95Å; Y65-F70 HydrophobicContact CE2-CE1 3.95Å; G68-F70 WeakPolarHBondContact O-CE2 3.23Å; F70-Q124 HydrophobicContact CD1-CB 3.99Å; F70-Q124 HydrophobicContact CD2-CB 4.29Å; F70-Q124 HydrophobicContact CE1-CB 4.02Å; F70-Q124 HydrophobicContact CE1-CG 4.17Å; F70-Q124 HydrophobicContact CE2-CB 4.35Å; F70-Q124 HydrophobicContact CE2-CG 4.22Å; F70-Q124 HydrophobicContact CG-CB 4.13Å; F70-Q124 HydrophobicContact CZ-CB 4.21Å; F70-Q124 VanDerWaalsContact CZ-CD 3.41Å; F70-Q124 HydrophobicContact CZ-CG 3.96Å; F70-I126 WeakPolarHBondContact O-CA 3.43Å; F70-Q127 PolarHBondContact O-N 3.28Å; F70-Y254 HydrophobicContact CB-CE2 4.03Å; F70-Y254 VanDerWaalsContact CD2-OH 3.24Å; F70-Y254 WeakPolarHBondContact CD2-OH 3.37Å; F70-Y254 PolarHBondContact N-OH 3.35Å; F70-Y254 VanDerWaalsContact N-OH 3.09Å
71	W	89.9	Confident	87.5	Confident	25 Å²	25	52.2 Å²	52.2	10%	0.095	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.5	176.6	63.9	-90.1	0	0	0	113.4	H64 E69 E73 Q127 M129 Y254	H64-W71 AromaticContact CE1-CE3 3.81Å; H64-W71 AromaticContact CE1-CH2 3.42Å; H64-W71 VanDerWaalsContact CE1-CH2 3.42Å; H64-W71 WeakPolarHBondContact CE1-CH2 3.41Å; H64-W71 AromaticContact CE1-CZ2 3.83Å; H64-W71 AromaticContact CE1-CZ3 3.39Å; H64-W71 WeakPolarHBondContact CE1-CZ3 3.44Å; H64-W71 AromaticContact ND1-CE3 3.95Å; H64-W71 PolarHBondContact ND1-O 2.74Å; H64-W71 AromaticContact NE2-CH2 3.95Å; E69-W71 PolarHBondContact O-N 3.41Å; E69-W71 WeakPolarHBondContact OE2-CZ2 3.29Å; E69-W71 PolarHBondContact OE2-NE1 3.39Å; W71-E73 HydrophobicContact CE3-CG 3.9Å; W71-E73 HydrophobicContact CZ3-CB 4.27Å; W71-E73 VanDerWaalsContact CZ3-CD 3.42Å; W71-E73 HydrophobicContact CZ3-CG 3.48Å; W71-E73 VanDerWaalsContact CZ3-CG 3.48Å; W71-Q127 CarbonylContact C-O 3.55Å; W71-Q127 WeakPolarHBondContact CA-O 3.45Å; W71-Q127 HydrophobicContact CB-CB 4.47Å; W71-M129 HydrophobicContact CB-CE 3.44Å; W71-M129 VanDerWaalsContact CB-CE 3.44Å; W71-M129 HydrophobicContact CD2-CE 3.37Å; W71-M129 HydrophobicContact CE3-CE 3.48Å; W71-M129 VanDerWaalsContact CE3-CE 3.48Å; W71-M129 HydrophobicContact CG-CE 3.37Å; W71-M129 HydrophobicContact CZ3-CE 4.4Å; W71-Y254 HydrophobicContact CB-CD2 4.3Å; W71-Y254 HydrophobicContact CB-CG 4.48Å; W71-Y254 AromaticContact CD1-CD1 3.82Å; W71-Y254 AromaticContact CD1-CG 3.98Å
72	V	90.4	Very high	87.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.9	174.6	-177.3	0	0	0	0	109.2	Y57 L61 V74 I126 Q127 M129	Y57-V72 HydrophobicContact CD1-CG1 4.3Å; L61-V72 HydrophobicContact CD1-CG2 4.42Å; L61-V72 HydrophobicContact CD2-CG2 3.14Å; L61-V72 HydrophobicContact CG-CG2 3.49Å; L61-V72 VanDerWaalsContact CG-CG2 3.49Å; V72-V74 HydrophobicContact CG1-CG2 4.12Å; V72-I126 HydrophobicContact CG2-CG2 3.99Å; V72-Q127 PolarHBondContact N-O 2.89Å; V72-M129 PolarHBondContact O-N 3.2Å
73	E	88.6	Confident	87.5	Confident	47 Å²	47	52 Å²	52	22%	0.22	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.8	171.5	-77.3	170.3	165.8	0	0	109.2	Y57 W71 M129 K131	Y57-E73 VanDerWaalsContact CE1-O 3.26Å; Y57-E73 WeakPolarHBondContact CE1-O 3.28Å; W71-E73 HydrophobicContact CE3-CG 3.9Å; W71-E73 HydrophobicContact CZ3-CB 4.27Å; W71-E73 VanDerWaalsContact CZ3-CD 3.42Å; W71-E73 HydrophobicContact CZ3-CG 3.48Å; W71-E73 VanDerWaalsContact CZ3-CG 3.48Å; E73-M129 CarbonylContact C-O 3.58Å; E73-M129 WeakPolarHBondContact CA-O 3.35Å; E73-M129 HydrophobicContact CG-CB 4.02Å; E73-K131 HydrophobicContact CB-CD 4.37Å; E73-K131 HydrophobicContact CG-CD 4.39Å; E73-K131 VanDerWaalsContact OE1-CE 3.25Å; E73-K131 WeakPolarHBondContact OE1-CE 3.42Å; E73-K131 IonicContact OE1-NZ 2.97Å; E73-K131 PolarHBondContact OE1-NZ 2.96Å; E73-K131 VanDerWaalsContact OE2-CE 3.3Å; E73-K131 WeakPolarHBondContact OE2-CE 3.39Å; E73-K131 IonicContact OE2-NZ 2.85Å; E73-K131 PolarHBondContact OE2-NZ 3.24Å
74	V	89.9	Confident	87.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.1	178.2	178.4	0	0	0	0	109.1	F40 L41 Y57 V72 V128 M129 L130 K131	F40-V74 HydrophobicContact CE1-CG1 3.9Å; F40-V74 HydrophobicContact CZ-CG1 4.27Å; L41-V74 HydrophobicContact CD2-CG2 4.43Å; Y57-V74 HydrophobicContact CD1-CG2 4.41Å; Y57-V74 HydrophobicContact CE1-CB 4.34Å; Y57-V74 HydrophobicContact CE1-CG1 4.42Å; Y57-V74 HydrophobicContact CE1-CG2 4.18Å; V72-V74 HydrophobicContact CG1-CG2 4.12Å; V74-V128 HydrophobicContact CB-CG1 4.28Å; V74-V128 HydrophobicContact CG2-CG1 3.78Å; V74-M129 PolarHBondContact N-O 2.96Å; V74-L130 HydrophobicContact CB-CD2 4.16Å; V74-L130 WeakPolarHBondContact O-CA 3.31Å; V74-K131 PolarHBondContact O-N 2.97Å
75	E	88.9	Confident	87.5	Confident	66 Å²	66	54.6 Å²	54.6	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133	174.4	-77.2	163.1	-146.5	0	0	110.6	K56 Y57 E77 D78 L79 K131	K56-E75 IonicContact NZ-OE1 2.75Å; K56-E75 PolarHBondContact NZ-OE1 3.22Å; K56-E75 IonicContact NZ-OE2 2.78Å; K56-E75 PolarHBondContact NZ-OE2 3.09Å; Y57-E75 PolarHBondContact OH-N 3.31Å; Y57-E75 VanDerWaalsContact OH-N 3.07Å; E75-E77 VanDerWaalsContact C-N 3.25Å; E75-E77 PolarHBondContact O-N 2.85Å; E75-D78 HydrophobicContact CB-CB 4.19Å; E75-D78 PolarHBondContact O-N 3.47Å; E75-L79 PolarHBondContact O-N 3.44Å; E75-K131 CarbonylContact C-O 3.18Å; E75-K131 WeakPolarHBondContact CA-O 3.47Å; E75-K131 HydrophobicContact CG-CB 4.12Å
76	M	87.1	Confident	87.6	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-27.6	-179.9	-66.5	-66	-68.9	0	0	112.4	L79 A80 L90 Y91 L130 K131 L150 M268	M76-L79 WeakPolarHBondContact O-CB 3.45Å; M76-L79 PolarHBondContact O-N 2.93Å; M76-A80 WeakPolarHBondContact O-CB 3.34Å; M76-A80 PolarHBondContact O-N 2.97Å; M76-L90 HydrophobicContact CE-CB 4.47Å; M76-L90 HydrophobicContact CE-CD2 3.92Å; M76-L90 HydrophobicContact CE-CG 4.26Å; M76-L90 HydrophobicContact SD-CD2 3.72Å; M76-Y91 HydrophobicContact CE-CD1 4.25Å; M76-Y91 HydrophobicContact CE-CD2 3.7Å; M76-Y91 HydrophobicContact CE-CE1 3.92Å; M76-Y91 HydrophobicContact CE-CE2 3.33Å; M76-Y91 HydrophobicContact CE-CG 4.13Å; M76-Y91 VanDerWaalsContact CE-CZ 3.45Å; M76-L130 HydrophobicContact SD-CD1 3.94Å; M76-L130 HydrophobicContact SD-CD2 4.06Å; M76-L130 HydrophobicContact SD-CG 4.42Å; M76-K131 WeakPolarHBondContact CG-O 3.21Å; M76-K131 PolarHBondContact N-O 3.48Å; M76-L150 HydrophobicContact CE-CD2 3.87Å; M76-L150 HydrophobicContact SD-CD2 4.22Å; M76-M268 HydrophobicContact CG-CE 4.19Å; M76-M268 HydrophobicContact CG-SD 4.28Å
77	E	87.4	Confident	87.7	Confident	87 Å²	87	49.2 Å²	49.2	41%	0.407	27%	0.265	S	S	.	.	H	α-helix	trans	-73.4	-37.8	179.4	-70.3	166.8	-145.6	0	0	111.9	E75 L79 A80 S81 D133	E75-E77 VanDerWaalsContact C-N 3.25Å; E75-E77 PolarHBondContact O-N 2.85Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.18Å; E77-A80 PolarHBondContact O-N 3.42Å; E77-S81 WeakPolarHBondContact O-CB 3.19Å; E77-S81 PolarHBondContact O-N 3.43Å; E77-S81 PolarHBondContact O-OG 3.26Å; E77-D133 WeakPolarHBondContact OE1-CB 3.4Å; E77-D133 PolarHBondContact OE1-N 2.96Å
78	D	88.4	Confident	87.7	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-42.9	171.3	-73.5	-9.8	0	0	0	110.5	F40 F44 K56 Y57 E75 S81 F82	F40-D78 HydrophobicContact CE2-CB 4.45Å; F40-D78 HydrophobicContact CZ-CB 4.22Å; F44-D78 HydrophobicContact CD1-CB 4.49Å; F44-D78 HydrophobicContact CD2-CB 4.47Å; F44-D78 HydrophobicContact CE1-CB 3.72Å; F44-D78 WeakPolarHBondContact CE1-OD2 3.34Å; F44-D78 HydrophobicContact CE2-CB 3.72Å; F44-D78 WeakPolarHBondContact CE2-O 3.24Å; F44-D78 HydrophobicContact CZ-CB 3.3Å; F44-D78 VanDerWaalsContact CZ-OD1 3.23Å; F44-D78 WeakPolarHBondContact CZ-OD1 3.14Å; K56-D78 IonicContact NZ-OD2 2.71Å; K56-D78 PolarHBondContact NZ-OD2 2.97Å; Y57-D78 HydrophobicContact CE2-CB 4.18Å; Y57-D78 VanDerWaalsContact OH-CB 3.26Å; Y57-D78 WeakPolarHBondContact OH-CB 3.22Å; Y57-D78 PolarHBondContact OH-OD2 3.24Å; E75-D78 HydrophobicContact CB-CB 4.19Å; E75-D78 PolarHBondContact O-N 3.47Å; D78-S81 PolarHBondContact O-N 3.28Å; D78-F82 PolarHBondContact O-N 3.43Å
79	L	86.6	Confident	87.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-45.5	177.6	-163.7	68.8	0	0	0	112	F37 F40 E75 M76 E77 S81 F82 D83 L86 L90	F37-L79 HydrophobicContact CD1-CD1 4.49Å; F37-L79 HydrophobicContact CE1-CD1 4.39Å; F37-L79 HydrophobicContact CE1-CD2 4.34Å; F40-L79 HydrophobicContact CD1-CD1 3.6Å; F40-L79 HydrophobicContact CD2-CD1 3.88Å; F40-L79 HydrophobicContact CE1-CD1 3.59Å; F40-L79 HydrophobicContact CE2-CB 4.43Å; F40-L79 HydrophobicContact CE2-CD1 3.86Å; F40-L79 HydrophobicContact CG-CD1 3.75Å; F40-L79 HydrophobicContact CZ-CB 4.22Å; F40-L79 HydrophobicContact CZ-CD1 3.7Å; E75-L79 PolarHBondContact O-N 3.44Å; M76-L79 WeakPolarHBondContact O-CB 3.45Å; M76-L79 PolarHBondContact O-N 2.93Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.18Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.44Å; L79-F82 PolarHBondContact O-N 2.91Å; L79-D83 PolarHBondContact O-N 3.24Å; L79-L86 HydrophobicContact CD1-CD2 3.28Å; L79-L86 HydrophobicContact CD2-CD2 3.94Å; L79-L86 HydrophobicContact CG-CD2 3.64Å; L79-L90 HydrophobicContact CD2-CD2 3.61Å
80	A	87.9	Confident	88	Confident	42 Å²	42	44 Å²	44	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-35.3	178	0	0	0	0	0	112.3	M76 E77 F82	M76-A80 WeakPolarHBondContact O-CB 3.34Å; M76-A80 PolarHBondContact O-N 2.97Å; E77-A80 PolarHBondContact O-N 3.42Å; A80-F82 VanDerWaalsContact C-N 3.28Å; A80-F82 PolarHBondContact O-N 3.22Å
81	S	87.3	Confident	88	Confident	101 Å²	101	46.5 Å²	46.5	71%	0.706	25%	0.245	S	C	*	.	H	α-helix	trans	-69.2	-26.3	177.6	-59.5	0	0	0	0	113	E77 D78 L79	E77-S81 WeakPolarHBondContact O-CB 3.19Å; E77-S81 PolarHBondContact O-N 3.43Å; E77-S81 PolarHBondContact O-OG 3.26Å; D78-S81 PolarHBondContact O-N 3.28Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.44Å
82	F	86.3	Confident	87.9	Confident	81 Å²	81	50.8 Å²	50.8	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-89.2	-50	178.5	-174.9	-96.1	0	0	0	112.3	F40 Q43 D78 L79 A80	F40-F82 HydrophobicContact CB-CD1 3.98Å; F40-F82 HydrophobicContact CB-CE1 4.06Å; F40-F82 HydrophobicContact CD2-CB 3.71Å; F40-F82 AromaticContact CD2-CD1 3.88Å; F40-F82 HydrophobicContact CD2-CD1 3.88Å; F40-F82 HydrophobicContact CD2-CD2 4.49Å; F40-F82 AromaticContact CD2-CG 3.78Å; F40-F82 HydrophobicContact CD2-CG 3.78Å; F40-F82 HydrophobicContact CE2-CB 4.08Å; F40-F82 HydrophobicContact CG-CD1 4.42Å; Q43-F82 HydrophobicContact CB-CE2 4.28Å; D78-F82 PolarHBondContact O-N 3.43Å; L79-F82 PolarHBondContact O-N 2.91Å; A80-F82 VanDerWaalsContact C-N 3.28Å; A80-F82 PolarHBondContact O-N 3.22Å
83	D	87.4	Confident	87.8	Confident	28 Å²	28	55.3 Å²	55.3	15%	0.15	29%	0.288	C	S	.	.			trans	-147.4	106.8	179	-172	-8.7	0	0	0	110	R36 L79 D85 L86 S87	R36-D83 IonicContact CZ-OD2 3.96Å; R36-D83 IonicContact NH1-OD2 3.18Å; R36-D83 PolarHBondContact NH1-OD2 3.18Å; L79-D83 PolarHBondContact O-N 3.24Å; D83-D85 PolarHBondContact OD1-N 3.14Å; D83-L86 HydrophobicContact CB-CB 3.92Å; D83-L86 PolarHBondContact O-N 2.81Å; D83-S87 PolarHBondContact O-N 2.94Å
84	E	87.6	Confident	87.9	Confident	146 Å²	146	53.1 Å²	53.1	68%	0.682	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-44.2	-179.2	-168.9	177.1	177.9	0	0	111.1	L86 S87 D88	E84-L86 VanDerWaalsContact C-N 3.26Å; E84-L86 PolarHBondContact O-N 3.06Å; E84-S87 PolarHBondContact O-N 2.88Å; E84-S87 PolarHBondContact O-OG 2.99Å; E84-D88 WeakPolarHBondContact O-CB 3.44Å; E84-D88 PolarHBondContact O-N 2.9Å
85	D	88.6	Confident	87.6	Confident	110 Å²	110	55.9 Å²	55.9	59%	0.588	30%	0.295	S	S	*	.	H	α-helix	trans	-59.2	-40.3	-177.9	-71.6	-27.9	0	0	0	111.7	D83 D88 C89	D83-D85 PolarHBondContact OD1-N 3.14Å; D85-D88 PolarHBondContact O-N 2.85Å; D85-C89 WeakPolarHBondContact O-CB 3.3Å; D85-C89 PolarHBondContact O-N 3.26Å; D85-C89 PolarHBondContact O-SG 3.11Å
86	L	86.4	Confident	87.5	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-72.1	-38.6	-177.6	-176.5	121.4	0	0	0	111.3	R36 F37 L79 D83 E84 D88 L90	R36-L86 HydrophobicContact CB-CD1 3.68Å; F37-L86 HydrophobicContact CD1-CD1 3.9Å; F37-L86 HydrophobicContact CD1-CD2 3.53Å; F37-L86 HydrophobicContact CD1-CG 4.02Å; F37-L86 HydrophobicContact CD2-CD1 4.29Å; F37-L86 HydrophobicContact CE1-CD1 3.83Å; F37-L86 HydrophobicContact CE1-CD2 3.25Å; F37-L86 HydrophobicContact CE1-CG 3.52Å; F37-L86 HydrophobicContact CE2-CD1 4.22Å; F37-L86 HydrophobicContact CG-CD1 4.13Å; F37-L86 HydrophobicContact CZ-CD1 3.97Å; F37-L86 HydrophobicContact CZ-CD2 4.04Å; F37-L86 HydrophobicContact CZ-CG 3.79Å; L79-L86 HydrophobicContact CD1-CD2 3.28Å; L79-L86 HydrophobicContact CD2-CD2 3.94Å; L79-L86 HydrophobicContact CG-CD2 3.64Å; D83-L86 HydrophobicContact CB-CB 3.92Å; D83-L86 PolarHBondContact O-N 2.81Å; E84-L86 VanDerWaalsContact C-N 3.26Å; E84-L86 PolarHBondContact O-N 3.06Å; L86-D88 VanDerWaalsContact C-N 3.34Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 PolarHBondContact O-N 3.4Å
87	S	86.4	Confident	87.5	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-42.5	172.3	80.4	0	0	0	0	111.6	D83 E84 L90 Y91	D83-S87 PolarHBondContact O-N 2.94Å; E84-S87 PolarHBondContact O-N 2.88Å; E84-S87 PolarHBondContact O-OG 2.99Å; S87-L90 WeakPolarHBondContact O-CB 3.39Å; S87-L90 PolarHBondContact O-N 3.03Å; S87-L90 VanDerWaalsContact O-N 3.14Å; S87-Y91 VanDerWaalsContact O-CD2 3.22Å; S87-Y91 WeakPolarHBondContact O-CD2 3.48Å; S87-Y91 PolarHBondContact O-N 2.8Å
88	D	89	Confident	87.6	Confident	71 Å²	71	53.6 Å²	53.6	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-39.3	-179	-138.7	39.1	0	0	0	111.5	E84 D85 L86 L90 Y91 K92	E84-D88 WeakPolarHBondContact O-CB 3.44Å; E84-D88 PolarHBondContact O-N 2.9Å; D85-D88 PolarHBondContact O-N 2.85Å; L86-D88 VanDerWaalsContact C-N 3.34Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 2.96Å; D88-Y91 PolarHBondContact O-N 3.01Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 3.41Å; D88-K92 IonicContact OD2-NZ 2.8Å; D88-K92 PolarHBondContact OD2-NZ 3.09Å
89	C	87.8	Confident	87.6	Confident	56 Å²	56	55 Å²	55	38%	0.378	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-42	169.8	-73.9	0	0	0	0	112	D85 K92 L93 N97	D85-C89 WeakPolarHBondContact O-CB 3.3Å; D85-C89 PolarHBondContact O-N 3.26Å; D85-C89 PolarHBondContact O-SG 3.11Å; C89-K92 PolarHBondContact O-N 3.32Å; C89-L93 PolarHBondContact O-N 2.92Å; C89-N97 VanDerWaalsContact C-ND2 3.33Å; C89-N97 PolarHBondContact O-ND2 2.97Å
90	L	88.4	Confident	87.7	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-37.8	178.8	-172.3	63.2	0	0	0	111.7	M76 L79 L86 S87 D88 P94 N97 L98 L130	M76-L90 HydrophobicContact CE-CB 4.47Å; M76-L90 HydrophobicContact CE-CD2 3.92Å; M76-L90 HydrophobicContact CE-CG 4.26Å; M76-L90 HydrophobicContact SD-CD2 3.72Å; L79-L90 HydrophobicContact CD2-CD2 3.61Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 PolarHBondContact O-N 3.4Å; S87-L90 WeakPolarHBondContact O-CB 3.39Å; S87-L90 PolarHBondContact O-N 3.03Å; S87-L90 VanDerWaalsContact O-N 3.14Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 2.96Å; L90-P94 WeakPolarHBondContact O-CA 3.42Å; L90-P94 WeakPolarHBondContact O-CB 3.37Å; L90-P94 WeakPolarHBondContact O-CD 3.4Å; L90-N97 HydrophobicContact CD1-CB 3.7Å; L90-L98 HydrophobicContact CD1-CD2 4.3Å; L90-L98 HydrophobicContact CD1-CG 4.31Å; L90-L130 HydrophobicContact CD2-CD1 4.16Å; L90-L130 HydrophobicContact CD2-CD2 4.32Å
91	Y	87.7	Confident	87.8	Confident	76 Å²	76	54.1 Å²	54.1	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-41.9	174.2	-85.2	-69.4	0	0	0	113	M76 S87 D88 L150	M76-Y91 HydrophobicContact CE-CD1 4.25Å; M76-Y91 HydrophobicContact CE-CD2 3.7Å; M76-Y91 HydrophobicContact CE-CE1 3.92Å; M76-Y91 HydrophobicContact CE-CE2 3.33Å; M76-Y91 HydrophobicContact CE-CG 4.13Å; M76-Y91 VanDerWaalsContact CE-CZ 3.45Å; S87-Y91 VanDerWaalsContact O-CD2 3.22Å; S87-Y91 WeakPolarHBondContact O-CD2 3.48Å; S87-Y91 PolarHBondContact O-N 2.8Å; D88-Y91 PolarHBondContact O-N 3.01Å; Y91-L150 HydrophobicContact CD1-CB 4.09Å; Y91-L150 HydrophobicContact CD1-CD2 4.07Å; Y91-L150 HydrophobicContact CE1-CD2 4.03Å; Y91-L150 PolarHBondContact O-N 3.38Å
92	K	88.6	Confident	87.9	Confident	114 Å²	114	51.4 Å²	51.4	50%	0.496	26%	0.26	S	S	.	.	H	α-helix	trans	-77	-42.9	-177	-71.7	167	-177.3	155.2	0	113.1	D88 C89 P94	D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 3.41Å; D88-K92 IonicContact OD2-NZ 2.8Å; D88-K92 PolarHBondContact OD2-NZ 3.09Å; C89-K92 PolarHBondContact O-N 3.32Å; K92-P94 VanDerWaalsContact C-CD 3.47Å
93	L	88.3	Confident	88.1	Confident	98 Å²	98	52 Å²	52	51%	0.513	26%	0.264	S	S	.	.			trans	-130.7	61.9	-174.1	-67.9	169.8	0	0	0	112.4	C89 T95 N97	C89-L93 PolarHBondContact O-N 2.92Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 3.46Å; L93-N97 PolarHBondContact O-N 3.37Å; L93-N97 PolarHBondContact O-ND2 2.58Å
94	P	89.1	Confident	88.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-27.8	-176.8	26.4	-35.5	0	0	0	113.3	L90 K92 E96 L98 S148 L150 I270	L90-P94 WeakPolarHBondContact O-CA 3.42Å; L90-P94 WeakPolarHBondContact O-CB 3.37Å; L90-P94 WeakPolarHBondContact O-CD 3.4Å; K92-P94 VanDerWaalsContact C-CD 3.47Å; P94-E96 VanDerWaalsContact C-N 3.34Å; P94-E96 PolarHBondContact O-N 2.95Å; P94-L98 HydrophobicContact CB-CD1 4.33Å; P94-L98 VanDerWaalsContact O-CB 3.25Å; P94-L98 WeakPolarHBondContact O-CB 3.45Å; P94-L98 WeakPolarHBondContact O-CD1 3.45Å; P94-L98 WeakPolarHBondContact O-CG 3.47Å; P94-L98 PolarHBondContact O-N 2.83Å; P94-S148 VanDerWaalsContact CD-O 3.32Å; P94-S148 WeakPolarHBondContact CD-O 3.37Å; P94-L150 HydrophobicContact CG-CB 4.44Å; P94-I270 HydrophobicContact CB-CD1 3.73Å; P94-I270 HydrophobicContact CB-CG1 3.92Å; P94-I270 HydrophobicContact CG-CB 4.49Å; P94-I270 HydrophobicContact CG-CD1 3.84Å; P94-I270 HydrophobicContact CG-CG1 3.74Å; P94-I270 HydrophobicContact CG-CG2 4.01Å
95	T	84.9	Confident	88.2	Confident	60 Å²	60	43.8 Å²	43.8	37%	0.368	23%	0.225	S	C	.	.	H	α-helix	trans	-67.2	-32.3	-176	49.7	0	0	0	0	113.9	L93 P99 I270	L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 3.46Å; T95-P99 VanDerWaalsContact O-CD 3.29Å; T95-P99 WeakPolarHBondContact O-CD 3.46Å; T95-I270 HydrophobicContact CG2-CD1 4.04Å; T95-I270 HydrophobicContact CG2-CG2 4.21Å
96	E	85.7	Confident	88.2	Confident	85 Å²	85	41.5 Å²	41.5	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-91.1	-34.8	177.7	-61.4	-162.1	-178.5	0	0	111.8	R30 P94 P99 L100	R30-E96 IonicContact CZ-OE2 2.77Å; R30-E96 IonicContact NE-OE2 2.86Å; R30-E96 IonicContact NH2-OE1 3.88Å; R30-E96 IonicContact NH2-OE2 3.56Å; R30-E96 PolarHBondContact NH2-OE2 3.16Å; P94-E96 VanDerWaalsContact C-N 3.34Å; P94-E96 PolarHBondContact O-N 2.95Å; E96-P99 WeakPolarHBondContact O-CD 3.26Å; E96-L100 WeakPolarHBondContact O-CG 3.49Å
97	N	88.4	Confident	88.3	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-79.9	-31.1	-174.7	-67.3	-23.4	0	0	0	113.4	F37 C89 L90 L93 L100 L101	F37-N97 HydrophobicContact CE2-CB 4.43Å; F37-N97 HydrophobicContact CZ-CB 4.44Å; C89-N97 VanDerWaalsContact C-ND2 3.33Å; C89-N97 PolarHBondContact O-ND2 2.97Å; L90-N97 HydrophobicContact CD1-CB 3.7Å; L93-N97 PolarHBondContact O-N 3.37Å; L93-N97 PolarHBondContact O-ND2 2.58Å; N97-L100 PolarHBondContact O-N 3.26Å; N97-L101 PolarHBondContact O-N 3.32Å
98	L	88.3	Confident	88.3	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-46.9	177.6	-77.8	171.5	0	0	0	113.5	L90 P94 L100 L101 E102 L130 I270 V300	L90-L98 HydrophobicContact CD1-CD2 4.3Å; L90-L98 HydrophobicContact CD1-CG 4.31Å; P94-L98 HydrophobicContact CB-CD1 4.33Å; P94-L98 VanDerWaalsContact O-CB 3.25Å; P94-L98 WeakPolarHBondContact O-CB 3.45Å; P94-L98 WeakPolarHBondContact O-CD1 3.45Å; P94-L98 WeakPolarHBondContact O-CG 3.47Å; P94-L98 PolarHBondContact O-N 2.83Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 2.82Å; L98-L101 WeakPolarHBondContact O-CB 3.26Å; L98-L101 PolarHBondContact O-N 3.07Å; L98-L101 VanDerWaalsContact O-N 3.16Å; L98-E102 PolarHBondContact O-N 3.43Å; L98-L130 HydrophobicContact CD2-CD1 3.9Å; L98-L130 HydrophobicContact CD2-CG 4.23Å; L98-I270 HydrophobicContact CD1-CD1 3.85Å; L98-V300 HydrophobicContact CD1-CB 4.46Å; L98-V300 HydrophobicContact CD1-CG1 3.84Å; L98-V300 HydrophobicContact CD1-CG2 3.71Å; L98-V300 HydrophobicContact CD2-CG1 3.98Å
99	P	88.3	Confident	88.1	Confident	52 Å²	52	41 Å²	41	34%	0.338	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-38.2	173.4	-25.6	33.9	0	0	0	113.4	T95 E96 L101 E102 E103	T95-P99 VanDerWaalsContact O-CD 3.29Å; T95-P99 WeakPolarHBondContact O-CD 3.46Å; E96-P99 WeakPolarHBondContact O-CD 3.26Å; P99-L101 VanDerWaalsContact C-N 3.3Å; P99-L101 PolarHBondContact O-N 2.98Å; P99-E102 PolarHBondContact O-N 3.29Å; P99-E103 WeakPolarHBondContact O-CG 3.48Å; P99-E103 PolarHBondContact O-N 3.43Å
100	L	89.9	Confident	88	Confident	21 Å²	21	39.8 Å²	39.8	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-37	176.6	-63.3	176.1	0	0	0	111.6	R30 I33 E96 N97 L98 A104	R30-L100 HydrophobicContact CB-CD1 4.36Å; R30-L100 HydrophobicContact CG-CD1 4.32Å; I33-L100 HydrophobicContact CG2-CD1 4.28Å; E96-L100 WeakPolarHBondContact O-CG 3.49Å; N97-L100 PolarHBondContact O-N 3.26Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 2.82Å; L100-A104 WeakPolarHBondContact O-CB 3.36Å; L100-A104 PolarHBondContact O-N 2.98Å
101	L	90	Very high	87.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-41.4	174.7	-177.5	60.2	0	0	0	111.9	F37 L41 N97 L98 P99 A104 A105 V128	F37-L101 HydrophobicContact CB-CD1 3.99Å; F37-L101 HydrophobicContact CD1-CD1 3.59Å; F37-L101 HydrophobicContact CE1-CD1 4.21Å; F37-L101 HydrophobicContact CG-CD1 3.88Å; L41-L101 HydrophobicContact CD1-CD1 4.36Å; N97-L101 PolarHBondContact O-N 3.32Å; L98-L101 WeakPolarHBondContact O-CB 3.26Å; L98-L101 PolarHBondContact O-N 3.07Å; L98-L101 VanDerWaalsContact O-N 3.16Å; P99-L101 VanDerWaalsContact C-N 3.3Å; P99-L101 PolarHBondContact O-N 2.98Å; L101-A104 PolarHBondContact O-N 3.38Å; L101-A105 WeakPolarHBondContact O-CB 3.4Å; L101-A105 PolarHBondContact O-N 3.01Å; L101-V128 HydrophobicContact CD2-CB 4.41Å; L101-V128 HydrophobicContact CD2-CG1 3.7Å; L101-V128 HydrophobicContact CG-CB 4.5Å; L101-V128 HydrophobicContact CG-CG1 4.17Å; L101-V128 HydrophobicContact CG-CG2 4.21Å
102	E	89.7	Confident	87.6	Confident	45 Å²	45	41.6 Å²	41.6	21%	0.21	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-42.2	173.3	-70.8	-171	168.6	0	0	111.6	L98 P99 A105 K106 I126 V128 R253	L98-E102 PolarHBondContact O-N 3.43Å; P99-E102 PolarHBondContact O-N 3.29Å; E102-A105 PolarHBondContact O-N 3.46Å; E102-K106 WeakPolarHBondContact O-CB 3.23Å; E102-K106 PolarHBondContact O-N 3.5Å; E102-I126 WeakPolarHBondContact CG-O 3.34Å; E102-V128 HydrophobicContact CG-CB 4.33Å; E102-V128 HydrophobicContact CG-CG2 4.07Å; E102-R253 IonicContact OE1-NH1 2.74Å; E102-R253 IonicContact OE2-NH1 2.97Å; E102-R253 PolarHBondContact OE2-NH1 3.02Å
103	E	88.9	Confident	87.1	Confident	94 Å²	94	37.3 Å²	37.3	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-65	-41.8	174.8	-74	-175.4	-167	0	0	112.6	K34 P99 A105 K106 E107	K34-E103 IonicContact NZ-OE2 3.24Å; K34-E103 PolarHBondContact NZ-OE2 3.09Å; P99-E103 WeakPolarHBondContact O-CG 3.48Å; P99-E103 PolarHBondContact O-N 3.43Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-K106 WeakPolarHBondContact O-CB 3.36Å; E103-K106 PolarHBondContact O-N 3.14Å; E103-E107 PolarHBondContact O-N 2.83Å; E103-E107 VanDerWaalsContact O-N 3.07Å
104	A	89.8	Confident	86.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-42.3	175.8	0	0	0	0	0	111.2	K34 F37 R38 L100 L101 K106 E107 V108	K34-A104 HydrophobicContact CG-CB 4.37Å; F37-A104 HydrophobicContact CB-CB 3.94Å; R38-A104 HydrophobicContact CB-CB 4.21Å; L100-A104 WeakPolarHBondContact O-CB 3.36Å; L100-A104 PolarHBondContact O-N 2.98Å; L101-A104 PolarHBondContact O-N 3.38Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 3.24Å; A104-E107 PolarHBondContact O-N 2.79Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 2.71Å
105	A	88.9	Confident	85.6	Confident	1 Å²	1	47 Å²	47	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-39.9	175.2	0	0	0	0	0	111.9	L41 L101 E102 E103 V108 A109 I126 V128	L41-A105 HydrophobicContact CD1-CB 3.87Å; L101-A105 WeakPolarHBondContact O-CB 3.4Å; L101-A105 PolarHBondContact O-N 3.01Å; E102-A105 PolarHBondContact O-N 3.46Å; E103-A105 VanDerWaalsContact C-N 3.35Å; A105-V108 PolarHBondContact O-N 2.89Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.43Å; A105-A109 PolarHBondContact O-N 3.18Å; A105-I126 HydrophobicContact CB-CG2 4.44Å; A105-V128 HydrophobicContact CB-CG2 4.19Å
106	K	88.7	Confident	84.7	Confident	62 Å²	62	46.4 Å²	46.4	27%	0.27	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-43.6	175.4	-170.6	176.1	-174.3	165.1	0	112.5	E102 E103 A104 D110 V123 D125	E102-K106 WeakPolarHBondContact O-CB 3.23Å; E102-K106 PolarHBondContact O-N 3.5Å; E103-K106 WeakPolarHBondContact O-CB 3.36Å; E103-K106 PolarHBondContact O-N 3.14Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 3.24Å; K106-D110 PolarHBondContact O-N 2.69Å; K106-V123 HydrophobicContact CD-CG1 4.28Å; K106-V123 WeakPolarHBondContact CE-O 3.25Å; K106-V123 HydrophobicContact CG-CB 4.29Å; K106-V123 HydrophobicContact CG-CG1 3.55Å; K106-V123 PolarHBondContact NZ-O 3.47Å; K106-D125 IonicContact NZ-OD1 3.32Å; K106-D125 PolarHBondContact NZ-OD1 2.97Å
107	E	88.3	Confident	83.9	Confident	68 Å²	68	47.3 Å²	47.3	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-45.7	175.7	-73.1	179.3	-161.2	0	0	111.9	K34 R38 E103 A104 D110 E111	K34-E107 WeakPolarHBondContact CE-OE1 3.45Å; K34-E107 IonicContact NZ-OE1 3.77Å; K34-E107 PolarHBondContact NZ-OE1 3.36Å; R38-E107 IonicContact CZ-OE2 3.58Å; R38-E107 IonicContact NH1-OE2 2.57Å; R38-E107 PolarHBondContact NH1-OE2 3.02Å; E103-E107 PolarHBondContact O-N 2.83Å; E103-E107 VanDerWaalsContact O-N 3.07Å; A104-E107 PolarHBondContact O-N 2.79Å; E107-D110 PolarHBondContact O-N 3.3Å; E107-E111 WeakPolarHBondContact O-CG 3.41Å; E107-E111 PolarHBondContact O-N 3.15Å; E107-E111 VanDerWaalsContact O-N 3.13Å
108	V	86.6	Confident	82.4	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-43.3	178.7	175.3	0	0	0	0	111.2	R38 L41 L61 A104 A105 D110 E111 V112	R38-V108 HydrophobicContact CG-CG2 3.81Å; L41-V108 HydrophobicContact CB-CG2 4.17Å; L61-V108 HydrophobicContact CD1-CB 4.45Å; L61-V108 HydrophobicContact CD1-CG1 4.01Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 2.71Å; A105-V108 PolarHBondContact O-N 2.89Å; V108-D110 VanDerWaalsContact C-N 3.27Å; V108-D110 PolarHBondContact O-N 3.43Å; V108-E111 PolarHBondContact O-N 2.96Å; V108-V112 HydrophobicContact CG1-CG2 4.21Å; V108-V112 VanDerWaalsContact O-CG2 3.23Å; V108-V112 WeakPolarHBondContact O-CG2 3.4Å; V108-V112 PolarHBondContact O-N 3.27Å
109	A	84.9	Confident	81	Confident	1 Å²	1	57 Å²	57	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-38.4	176.1	0	0	0	0	0	111.9	L61 A105 V112 T113 I126	L61-A109 HydrophobicContact CD2-CB 4.21Å; A105-A109 VanDerWaalsContact O-CB 3.31Å; A105-A109 WeakPolarHBondContact O-CB 3.43Å; A105-A109 PolarHBondContact O-N 3.18Å; A109-V112 PolarHBondContact O-N 3.12Å; A109-T113 WeakPolarHBondContact O-CB 3.38Å; A109-T113 PolarHBondContact O-N 2.79Å; A109-T113 PolarHBondContact O-OG1 3.01Å; A109-I126 HydrophobicContact CB-CD1 3.37Å
110	D	85.1	Confident	79.7	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.171	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-40.8	176.9	-164.8	48.2	0	0	0	112.5	K106 E107 V108 R114 R116 V123	K106-D110 PolarHBondContact O-N 2.69Å; E107-D110 PolarHBondContact O-N 3.3Å; V108-D110 VanDerWaalsContact C-N 3.27Å; V108-D110 PolarHBondContact O-N 3.43Å; D110-R114 VanDerWaalsContact O-CG 3.31Å; D110-R114 WeakPolarHBondContact O-CG 3.16Å; D110-R114 IonicContact OD2-CZ 3.47Å; D110-R114 IonicContact OD2-NE 3.43Å; D110-R114 PolarHBondContact OD2-NE 3.43Å; D110-R114 IonicContact OD2-NH2 2.73Å; D110-R114 PolarHBondContact OD2-NH2 3.45Å; D110-R116 IonicContact OD1-CZ 3.79Å; D110-R116 VanDerWaalsContact OD1-CZ 3.32Å; D110-R116 IonicContact OD1-NH1 2.99Å; D110-R116 PolarHBondContact OD1-NH1 3.12Å; D110-R116 IonicContact OD1-NH2 3.89Å; D110-R116 PolarHBondContact OD1-NH2 3.26Å; D110-V123 HydrophobicContact CB-CG2 4.1Å; D110-V123 VanDerWaalsContact OD1-CG2 3.31Å; D110-V123 WeakPolarHBondContact OD1-CG2 3.36Å
111	E	84.3	Confident	78.4	Confident	91 Å²	91	66.8 Å²	66.8	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-67.2	-39.7	177.1	-66.8	-172.8	152.1	0	0	112.7	R38 E107 V108	R38-E111 IonicContact CZ-OE1 3.24Å; R38-E111 IonicContact CZ-OE2 3.71Å; R38-E111 IonicContact NE-OE2 3.3Å; R38-E111 IonicContact NH2-OE1 3Å; R38-E111 PolarHBondContact NH2-OE1 2.91Å; R38-E111 IonicContact NH2-OE2 3.41Å; R38-E111 PolarHBondContact NH2-OE2 3.01Å; E107-E111 WeakPolarHBondContact O-CG 3.41Å; E107-E111 PolarHBondContact O-N 3.15Å; E107-E111 VanDerWaalsContact O-N 3.13Å; V108-E111 PolarHBondContact O-N 2.96Å
112	V	82.6	Confident	77.2	Confident	23 Å²	23	72.4 Å²	72.4	14%	0.139	39%	0.39	C	S	.	.	H	α-helix	trans	-77.5	-28.3	-174.6	176.8	0	0	0	0	112.6	R58 K62 V108 A109	R58-V112 HydrophobicContact CG-CG1 4.32Å; R58-V112 HydrophobicContact CG-CG2 3.77Å; K62-V112 HydrophobicContact CB-CG1 3.79Å; K62-V112 HydrophobicContact CD-CG1 3.96Å; K62-V112 HydrophobicContact CG-CG1 3.98Å; V108-V112 HydrophobicContact CG1-CG2 4.21Å; V108-V112 VanDerWaalsContact O-CG2 3.23Å; V108-V112 WeakPolarHBondContact O-CG2 3.4Å; V108-V112 PolarHBondContact O-N 3.27Å; A109-V112 PolarHBondContact O-N 3.12Å
113	T	78.1	Confident	76.2	Confident	23 Å²	23	71.7 Å²	71.7	14%	0.141	39%	0.389	C	S	.	.	H	α-helix	trans	-90.4	-6.3	-175.8	-39.9	0	0	0	0	112.8	Y65 A109 P115 R116	Y65-T113 HydrophobicContact CD1-CG2 3.43Å; Y65-T113 VanDerWaalsContact CD1-CG2 3.43Å; Y65-T113 HydrophobicContact CE1-CG2 3.51Å; Y65-T113 HydrophobicContact CG-CG2 4.38Å; A109-T113 WeakPolarHBondContact O-CB 3.38Å; A109-T113 PolarHBondContact O-N 2.79Å; A109-T113 PolarHBondContact O-OG1 3.01Å; T113-P115 CarbonylContact O-C 3.59Å; T113-R116 HydrophobicContact CG2-CG 3.81Å; T113-R116 WeakPolarHBondContact O-CG 3.44Å; T113-R116 PolarHBondContact O-N 3.38Å
114	R	77.9	Confident	75.6	Confident	172 Å²	172	71.6 Å²	71.6	65%	0.649	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-71.7	125.7	173.3	-75.3	168.6	-172	-153.7	4.6	109.5	D110	D110-R114 VanDerWaalsContact O-CG 3.31Å; D110-R114 WeakPolarHBondContact O-CG 3.16Å; D110-R114 IonicContact OD2-CZ 3.47Å; D110-R114 IonicContact OD2-NE 3.43Å; D110-R114 PolarHBondContact OD2-NE 3.43Å; D110-R114 IonicContact OD2-NH2 2.73Å; D110-R114 PolarHBondContact OD2-NH2 3.45Å
115	P	68.4	Low	75.2	Confident	129 Å²	129	75.6 Å²	75.6	84%	0.838	41%	0.41	S	S	*	.	S	Bend	cis	-90.2	131.7	6.7	33.5	-31.1	0	0	0	113.7	T113	T113-P115 CarbonylContact O-C 3.59Å
116	R	66.6	Low	75.1	Confident	48 Å²	48	75.8 Å²	75.8	18%	0.181	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-84.4	151.3	174.9	-69.7	-168.8	-173.4	124.6	11.9	111.7	Y65 D110 T113 E120	Y65-R116 PolarHBondContact OH-NE 3.13Å; Y65-R116 VanDerWaalsContact OH-NE 3.1Å; Y65-R116 PolarHBondContact OH-NH2 2.94Å; D110-R116 IonicContact OD1-CZ 3.79Å; D110-R116 VanDerWaalsContact OD1-CZ 3.32Å; D110-R116 IonicContact OD1-NH1 2.99Å; D110-R116 PolarHBondContact OD1-NH1 3.12Å; D110-R116 IonicContact OD1-NH2 3.89Å; D110-R116 PolarHBondContact OD1-NH2 3.26Å; T113-R116 HydrophobicContact CG2-CG 3.81Å; T113-R116 WeakPolarHBondContact O-CG 3.44Å; T113-R116 PolarHBondContact O-N 3.38Å; R116-E120 VanDerWaalsContact CD-O 3.27Å; R116-E120 WeakPolarHBondContact CD-O 3.3Å
117	P	68.4	Low	75.1	Confident	104 Å²	104	73.4 Å²	73.4	68%	0.675	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-59.9	147.2	166.2	0.2	8	0	0	0	110.9	G119	P117-G119 PolarHBondContact O-N 3.25Å; P117-G119 VanDerWaalsContact O-N 3.15Å
118	V	56.9	Low	75.2	Confident	156 Å²	156	70.4 Å²	70.4	95%	0.945	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	113.6	-178.1	-171.7	0	0	0	0	109.5
119	G	59.4	Low	75.4	Confident	70 Å²	70	70.4 Å²	70.4	72%	0.722	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	142	-21.8	179.4	0	0	0	0	0	115.8	P117	P117-G119 PolarHBondContact O-N 3.25Å; P117-G119 VanDerWaalsContact O-N 3.15Å
120	E	61.5	Low	75.6	Confident	102 Å²	102	70.4 Å²	70.4	48%	0.477	39%	0.387	S	S	.	.			trans	-116.8	61.5	-179.1	-73.1	-173.8	150.8	0	0	112.6	R116	R116-E120 VanDerWaalsContact CD-O 3.27Å; R116-E120 WeakPolarHBondContact CD-O 3.3Å
121	E	61.7	Low	75.8	Confident	176 Å²	176	71.3 Å²	71.3	82%	0.822	39%	0.389	S	S	*	.			trans	-75	-25.4	178.4	-68.6	-174.8	165.4	0	0	112.7
122	T	64.9	Low	75.9	Confident	119 Å²	119	67.1 Å²	67.1	73%	0.73	37%	0.37	S	S	*	.	S	Bend	trans	-88.8	113.8	-178.5	55.7	0	0	0	0	111.9	Q124	T122-Q124 PolarHBondContact O-N 2.86Å
123	V	68.7	Low	75.8	Confident	30 Å²	30	71.4 Å²	71.4	18%	0.182	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-65.7	119.3	174.3	-165.4	0	0	0	0	109.9	K106 D110	K106-V123 HydrophobicContact CD-CG1 4.28Å; K106-V123 WeakPolarHBondContact CE-O 3.25Å; K106-V123 HydrophobicContact CG-CB 4.29Å; K106-V123 HydrophobicContact CG-CG1 3.55Å; K106-V123 PolarHBondContact NZ-O 3.47Å; D110-V123 HydrophobicContact CB-CG2 4.1Å; D110-V123 VanDerWaalsContact OD1-CG2 3.31Å; D110-V123 WeakPolarHBondContact OD1-CG2 3.36Å
124	Q	77	Confident	75.9	Confident	93 Å²	93	72.4 Å²	72.4	44%	0.435	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-68.8	158.2	172.9	-59.8	-153.9	16.9	0	0	111.5	F70 T122	F70-Q124 HydrophobicContact CD1-CB 3.99Å; F70-Q124 HydrophobicContact CD2-CB 4.29Å; F70-Q124 HydrophobicContact CE1-CB 4.02Å; F70-Q124 HydrophobicContact CE1-CG 4.17Å; F70-Q124 HydrophobicContact CE2-CB 4.35Å; F70-Q124 HydrophobicContact CE2-CG 4.22Å; F70-Q124 HydrophobicContact CG-CB 4.13Å; F70-Q124 HydrophobicContact CZ-CB 4.21Å; F70-Q124 VanDerWaalsContact CZ-CD 3.41Å; F70-Q124 HydrophobicContact CZ-CG 3.96Å; T122-Q124 PolarHBondContact O-N 2.86Å
125	D	81.3	Confident	76	Confident	83 Å²	83	73 Å²	73	44%	0.444	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-77.8	128.6	177.7	-66.8	-19.9	0	0	0	109.5	K106	K106-D125 IonicContact NZ-OD1 3.32Å; K106-D125 PolarHBondContact NZ-OD1 2.97Å
126	I	86.5	Confident	76.7	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.031	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-94.6	133.1	-179.2	-59.5	175.5	0	0	0	108.8	L61 F70 V72 E102 A105 A109	L61-I126 HydrophobicContact CD2-CD1 3.89Å; F70-I126 WeakPolarHBondContact O-CA 3.43Å; V72-I126 HydrophobicContact CG2-CG2 3.99Å; E102-I126 WeakPolarHBondContact CG-O 3.34Å; A105-I126 HydrophobicContact CB-CG2 4.44Å; A109-I126 HydrophobicContact CB-CD1 3.37Å
127	Q	88.7	Confident	77.5	Confident	11 Å²	11	70.6 Å²	70.6	5%	0.051	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.4	172.8	-178	174.4	6.3	0	0	110.6	F70 W71 V72 D252 Y254	F70-Q127 PolarHBondContact O-N 3.28Å; W71-Q127 CarbonylContact C-O 3.55Å; W71-Q127 WeakPolarHBondContact CA-O 3.45Å; W71-Q127 HydrophobicContact CB-CB 4.47Å; V72-Q127 PolarHBondContact N-O 2.89Å; Q127-D252 PolarHBondContact NE2-O 2.86Å; Q127-Y254 HydrophobicContact CB-CD2 4.46Å
128	V	90.1	Very high	78.3	Confident	6 Å²	6	68 Å²	68	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.5	173.8	-179.8	0	0	0	0	109.6	V74 L101 E102 A105 L130	V74-V128 HydrophobicContact CB-CG1 4.28Å; V74-V128 HydrophobicContact CG2-CG1 3.78Å; L101-V128 HydrophobicContact CD2-CB 4.41Å; L101-V128 HydrophobicContact CD2-CG1 3.7Å; L101-V128 HydrophobicContact CG-CB 4.5Å; L101-V128 HydrophobicContact CG-CG1 4.17Å; L101-V128 HydrophobicContact CG-CG2 4.21Å; E102-V128 HydrophobicContact CG-CB 4.33Å; E102-V128 HydrophobicContact CG-CG2 4.07Å; A105-V128 HydrophobicContact CB-CG2 4.19Å; V128-L130 HydrophobicContact CG1-CD2 4.35Å
129	M	90.7	Very high	79.7	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.02	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.1	173.6	-65.7	-170.6	-117.9	0	0	109.1	W71 V72 E73 V74 L255 V300	W71-M129 HydrophobicContact CB-CE 3.44Å; W71-M129 VanDerWaalsContact CB-CE 3.44Å; W71-M129 HydrophobicContact CD2-CE 3.37Å; W71-M129 HydrophobicContact CE3-CE 3.48Å; W71-M129 VanDerWaalsContact CE3-CE 3.48Å; W71-M129 HydrophobicContact CG-CE 3.37Å; W71-M129 HydrophobicContact CZ3-CE 4.4Å; V72-M129 PolarHBondContact O-N 3.2Å; E73-M129 CarbonylContact C-O 3.58Å; E73-M129 WeakPolarHBondContact CA-O 3.35Å; E73-M129 HydrophobicContact CG-CB 4.02Å; V74-M129 PolarHBondContact N-O 2.96Å; M129-L255 HydrophobicContact CG-CD2 4.34Å; M129-L255 HydrophobicContact SD-CD2 3.61Å; M129-L255 HydrophobicContact SD-CG 4.44Å; M129-V300 WeakPolarHBondContact CA-O 3.41Å
130	L	89.7	Confident	81	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.6	179.5	-63.1	-179.3	0	0	0	111.2	V74 M76 L90 L98 V128 L150 M268 V300 G301	V74-L130 HydrophobicContact CB-CD2 4.16Å; V74-L130 WeakPolarHBondContact O-CA 3.31Å; M76-L130 HydrophobicContact SD-CD1 3.94Å; M76-L130 HydrophobicContact SD-CD2 4.06Å; M76-L130 HydrophobicContact SD-CG 4.42Å; L90-L130 HydrophobicContact CD2-CD1 4.16Å; L90-L130 HydrophobicContact CD2-CD2 4.32Å; L98-L130 HydrophobicContact CD2-CD1 3.9Å; L98-L130 HydrophobicContact CD2-CG 4.23Å; V128-L130 HydrophobicContact CG1-CD2 4.35Å; L130-L150 HydrophobicContact CD1-CD1 4.28Å; L130-L150 HydrophobicContact CD1-CD2 3.94Å; L130-M268 HydrophobicContact CB-CG 4.44Å; L130-M268 HydrophobicContact CB-SD 3.41Å; L130-M268 WeakPolarHBondContact CB-SD 3.41Å; L130-M268 HydrophobicContact CD1-SD 4.31Å; L130-V300 HydrophobicContact CB-CG1 4.12Å; L130-V300 HydrophobicContact CD1-CG1 3.89Å; L130-V300 HydrophobicContact CG-CG1 3.75Å; L130-G301 WeakPolarHBondContact O-CA 3.5Å
131	K	88.1	Confident	82.2	Confident	51 Å²	51	58.2 Å²	58.2	22%	0.222	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	172.5	-73	-174.8	171.6	174.8	0	109.8	E73 V74 E75 M76 Q303	E73-K131 HydrophobicContact CB-CD 4.37Å; E73-K131 HydrophobicContact CG-CD 4.39Å; E73-K131 VanDerWaalsContact OE1-CE 3.25Å; E73-K131 WeakPolarHBondContact OE1-CE 3.42Å; E73-K131 IonicContact OE1-NZ 2.97Å; E73-K131 PolarHBondContact OE1-NZ 2.96Å; E73-K131 VanDerWaalsContact OE2-CE 3.3Å; E73-K131 WeakPolarHBondContact OE2-CE 3.39Å; E73-K131 IonicContact OE2-NZ 2.85Å; E73-K131 PolarHBondContact OE2-NZ 3.24Å; V74-K131 PolarHBondContact O-N 2.97Å; E75-K131 CarbonylContact C-O 3.18Å; E75-K131 WeakPolarHBondContact CA-O 3.47Å; E75-K131 HydrophobicContact CG-CB 4.12Å; M76-K131 WeakPolarHBondContact CG-O 3.21Å; M76-K131 PolarHBondContact N-O 3.48Å; K131-Q303 HydrophobicContact CD-CG 4.34Å; K131-Q303 HydrophobicContact CG-CG 4.07Å
132	S	86.4	Confident	83.3	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.021	27%	0.274	C	S	.	.			trans	-158.2	146.1	173.4	175.1	0	0	0	0	108.7	A134 K152	S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 VanDerWaalsContact OG-CB 3.29Å; S132-A134 WeakPolarHBondContact OG-CB 3.25Å; S132-A134 PolarHBondContact OG-N 2.91Å; S132-A134 VanDerWaalsContact OG-N 3.17Å; S132-K152 WeakPolarHBondContact O-CE 3.29Å; S132-K152 PolarHBondContact O-NZ 2.91Å
133	D	80.1	Confident	84.4	Confident	113 Å²	113	51.6 Å²	51.6	60%	0.604	27%	0.268	S	S	*	.			trans	-95.1	5.5	175.9	-61.8	-22.5	0	0	0	112.5	E77	E77-D133 WeakPolarHBondContact OE1-CB 3.4Å; E77-D133 PolarHBondContact OE1-N 2.96Å
134	A	80.6	Confident	85.3	Confident	44 Å²	44	55.4 Å²	55.4	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-53.5	155.2	173.1	0	0	0	0	0	112.8	S132 H136 K152	S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 VanDerWaalsContact OG-CB 3.29Å; S132-A134 WeakPolarHBondContact OG-CB 3.25Å; S132-A134 PolarHBondContact OG-N 2.91Å; S132-A134 VanDerWaalsContact OG-N 3.17Å; A134-H136 PolarHBondContact O-N 3.43Å; A134-K152 VanDerWaalsContact O-CD 3.23Å; A134-K152 WeakPolarHBondContact O-CD 3.45Å; A134-K152 WeakPolarHBondContact O-CE 3.22Å; A134-K152 PolarHBondContact O-NZ 3.13Å
135	H	81.3	Confident	85.8	Confident	185 Å²	185	58.2 Å²	58.2	86%	0.856	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-58	137.2	178.2	-75.8	-66	0	0	0	112.1
136	H	82.8	Confident	86	Confident	102 Å²	102	56.9 Å²	56.9	47%	0.472	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-79.2	142.5	176.1	55	-95.7	0	0	0	110.7	A134 K152 H154	A134-H136 PolarHBondContact O-N 3.43Å; H136-K152 HydrophobicContact CB-CG 4.25Å; H136-H154 HydrophobicContact CB-CB 3.99Å
137	A	83.4	Confident	86.1	Confident	24 Å²	24	58.6 Å²	58.6	20%	0.198	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-90	137.5	172.4	0	0	0	0	0	110.3	K152 V153	A137-K152 WeakPolarHBondContact CB-O 3.39Å; A137-K152 PolarHBondContact N-O 2.97Å; A137-V153 WeakPolarHBondContact O-CA 3.4Å
138	S	84.5	Confident	86.1	Confident	48 Å²	48	60.9 Å²	60.9	34%	0.336	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-71.2	149.8	172.3	-51.7	0	0	0	0	110.7	R140 S141	S138-R140 PolarHBondContact O-N 2.82Å; S138-R140 VanDerWaalsContact O-N 3.08Å; S138-S141 PolarHBondContact N-OG 3.27Å; S138-S141 WeakPolarHBondContact O-CB 3.3Å; S138-S141 PolarHBondContact O-N 2.61Å; S138-S141 PolarHBondContact O-OG 2.84Å
139	I	86.9	Confident	86	Confident	15 Å²	15	66.9 Å²	66.9	8%	0.077	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-56.1	-32	179.4	-69.1	165.2	0	0	0	111.4	S141 L142 V153 L231 E233 R245	I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.79Å; I139-L142 WeakPolarHBondContact O-CB 3.46Å; I139-L142 PolarHBondContact O-N 2.87Å; I139-V153 HydrophobicContact CD1-CG1 4.34Å; I139-V153 HydrophobicContact CG1-CG1 3.53Å; I139-L231 HydrophobicContact CD1-CD2 4.15Å; I139-L231 HydrophobicContact CD1-CG 4.35Å; I139-E233 HydrophobicContact CD1-CB 4.05Å; I139-R245 HydrophobicContact CG2-CB 4.25Å
140	R	86.1	Confident	86	Confident	59 Å²	59	67.3 Å²	67.3	22%	0.223	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-66.3	-29.2	176	-69.4	167.3	172.7	-97.6	-8.3	114.5	S138 L142 E233 P239 E242	S138-R140 PolarHBondContact O-N 2.82Å; S138-R140 VanDerWaalsContact O-N 3.08Å; R140-L142 VanDerWaalsContact C-N 3.28Å; R140-E233 WeakPolarHBondContact CD-OE1 3.29Å; R140-E233 WeakPolarHBondContact CD-OE2 3.31Å; R140-E233 WeakPolarHBondContact CG-OE1 3.3Å; R140-E233 IonicContact NE-OE1 3.62Å; R140-E233 IonicContact NE-OE2 2.7Å; R140-E233 PolarHBondContact NE-OE2 2.89Å; R140-P239 VanDerWaalsContact CZ-CG 3.47Å; R140-E242 IonicContact CZ-OE2 3.58Å; R140-E242 IonicContact NH1-OE1 2.83Å; R140-E242 IonicContact NH1-OE2 3.65Å; R140-E242 PolarHBondContact NH1-OE2 3.05Å; R140-E242 VanDerWaalsContact NH2-CB 3.34Å; R140-E242 IonicContact NH2-OE2 3.52Å; R140-E242 PolarHBondContact NH2-OE2 2.8Å
141	S	86.4	Confident	86.1	Confident	50 Å²	50	67.9 Å²	67.9	35%	0.35	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-79.7	-12.1	-179.3	71.8	0	0	0	0	113	S138 I139 K143	S138-S141 PolarHBondContact N-OG 3.27Å; S138-S141 WeakPolarHBondContact O-CB 3.3Å; S138-S141 PolarHBondContact O-N 2.61Å; S138-S141 PolarHBondContact O-OG 2.84Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.79Å; S141-K143 PolarHBondContact O-N 3.01Å
142	L	85.9	Confident	86.2	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.105	35%	0.351	C	S	.	.			trans	-68	101.9	177.3	-63	174.9	0	0	0	110.7	I139 R140 V151 V153 M247 Y271	I139-L142 WeakPolarHBondContact O-CB 3.46Å; I139-L142 PolarHBondContact O-N 2.87Å; R140-L142 VanDerWaalsContact C-N 3.28Å; L142-V151 HydrophobicContact CD2-CB 4.21Å; L142-V151 HydrophobicContact CD2-CG1 4.17Å; L142-V151 HydrophobicContact CD2-CG2 4.08Å; L142-V153 HydrophobicContact CD1-CG2 4.04Å; L142-V153 HydrophobicContact CD2-CG2 4.12Å; L142-M247 HydrophobicContact CD1-CE 3.73Å; L142-M247 HydrophobicContact CD1-SD 3.88Å; L142-Y271 HydrophobicContact CD1-CD2 4.4Å; L142-Y271 HydrophobicContact CD1-CE2 4.36Å
143	K	87.9	Confident	86.4	Confident	136 Å²	136	66.7 Å²	66.7	59%	0.591	35%	0.35	S	S	*	.			trans	-106.8	170.4	177.3	-67	-179.8	-175.6	177.8	0	111.3	S141 E145 Q146	S141-K143 PolarHBondContact O-N 3.01Å; K143-E145 PolarHBondContact O-N 3.28Å; K143-E145 VanDerWaalsContact O-N 3.15Å; K143-Q146 PolarHBondContact O-N 3.4Å; K143-Q146 VanDerWaalsContact O-N 3.11Å
144	S	86.7	Confident	86.8	Confident	109 Å²	109	62.6 Å²	62.6	76%	0.762	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57.7	-26.5	177.7	-54.3	0	0	0	0	113.9	Q146 V147	S144-Q146 PolarHBondContact O-N 3.11Å; S144-V147 WeakPolarHBondContact O-CB 3.36Å; S144-V147 VanDerWaalsContact O-CG2 3.22Å; S144-V147 WeakPolarHBondContact O-CG2 3.38Å; S144-V147 PolarHBondContact O-N 3.07Å
145	E	87.1	Confident	87.1	Confident	152 Å²	152	60.5 Å²	60.5	71%	0.71	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.7	177.6	-66.8	170.8	-162.2	0	0	113.5	K143	K143-E145 PolarHBondContact O-N 3.28Å; K143-E145 VanDerWaalsContact O-N 3.15Å
146	Q	85.9	Confident	87.3	Confident	56 Å²	56	52.9 Å²	52.9	26%	0.262	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-93.6	4.7	-179.2	-65.8	175.5	-21.2	0	0	112.6	K143 S144 S148 R149 V151	K143-Q146 PolarHBondContact O-N 3.4Å; K143-Q146 VanDerWaalsContact O-N 3.11Å; S144-Q146 PolarHBondContact O-N 3.11Å; Q146-S148 PolarHBondContact O-N 2.82Å; Q146-R149 PolarHBondContact O-N 3.42Å; Q146-V151 HydrophobicContact CB-CG1 4.07Å
147	V	88.6	Confident	87.5	Confident	42 Å²	42	48 Å²	48	26%	0.255	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	136.4	175.7	176.5	0	0	0	0	109.8	S144 R149 Y271	S144-V147 WeakPolarHBondContact O-CB 3.36Å; S144-V147 VanDerWaalsContact O-CG2 3.22Å; S144-V147 WeakPolarHBondContact O-CG2 3.38Å; S144-V147 PolarHBondContact O-N 3.07Å; V147-R149 PolarHBondContact O-N 3.07Å; V147-Y271 HydrophobicContact CB-CD1 4.42Å; V147-Y271 HydrophobicContact CG2-CD1 3.72Å; V147-Y271 HydrophobicContact CG2-CE1 3.74Å
148	S	88.6	Confident	87.5	Confident	58 Å²	58	49 Å²	49	41%	0.406	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	9.2	-175.3	-53.3	0	0	0	0	115.1	P94 Q146 Y271	P94-S148 VanDerWaalsContact CD-O 3.32Å; P94-S148 WeakPolarHBondContact CD-O 3.37Å; Q146-S148 PolarHBondContact O-N 2.82Å; S148-Y271 PolarHBondContact N-O 3.1Å
149	R	89.4	Confident	87.3	Confident	132 Å²	132	47.3 Å²	47.3	50%	0.498	24%	0.242	S	C	.	.	S	Bend	trans	-99.7	159	172.7	-64	-173.6	179.1	179.5	1	111.4	Q146 V147 I270 Y271	Q146-R149 PolarHBondContact O-N 3.42Å; V147-R149 PolarHBondContact O-N 3.07Å; R149-I270 WeakPolarHBondContact O-CA 3.38Å; R149-Y271 PolarHBondContact O-N 3.43Å
150	L	90.4	Very high	87.2	Confident	14 Å²	14	48.3 Å²	48.3	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	125.7	172.1	-164.9	70.2	0	0	0	109.1	M76 Y91 P94 L130 M268 I270	M76-L150 HydrophobicContact CE-CD2 3.87Å; M76-L150 HydrophobicContact SD-CD2 4.22Å; Y91-L150 HydrophobicContact CD1-CB 4.09Å; Y91-L150 HydrophobicContact CD1-CD2 4.07Å; Y91-L150 HydrophobicContact CE1-CD2 4.03Å; Y91-L150 PolarHBondContact O-N 3.38Å; P94-L150 HydrophobicContact CG-CB 4.44Å; L130-L150 HydrophobicContact CD1-CD1 4.28Å; L130-L150 HydrophobicContact CD1-CD2 3.94Å; L150-M268 HydrophobicContact CD1-CG 3.78Å; L150-M268 HydrophobicContact CD1-SD 4.32Å; L150-M268 HydrophobicContact CD2-CE 4.31Å; L150-M268 HydrophobicContact CD2-CG 4.18Å; L150-M268 HydrophobicContact CD2-SD 3.74Å; L150-M268 HydrophobicContact CG-CG 3.93Å; L150-M268 HydrophobicContact CG-SD 4.17Å; L150-I270 HydrophobicContact CD1-CG1 4.28Å
151	V	91.1	Very high	87.1	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144	177.6	-63.6	0	0	0	0	109.9	L142 Q146 V153 G269 L297	L142-V151 HydrophobicContact CD2-CB 4.21Å; L142-V151 HydrophobicContact CD2-CG1 4.17Å; L142-V151 HydrophobicContact CD2-CG2 4.08Å; Q146-V151 HydrophobicContact CB-CG1 4.07Å; V151-V153 HydrophobicContact CG2-CG2 4.08Å; V151-G269 WeakPolarHBondContact CG2-O 3.33Å; V151-G269 PolarHBondContact N-O 3.44Å; V151-G269 PolarHBondContact O-N 2.96Å; V151-G269 VanDerWaalsContact O-O 3.12Å; V151-L297 HydrophobicContact CG2-CD1 3.56Å
152	K	90.8	Very high	87	Confident	29 Å²	29	49.2 Å²	49.2	13%	0.126	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.7	171.6	-174.1	177.7	174.9	-176.6	0	108	S132 A134 H136 A137 T266 I267	S132-K152 WeakPolarHBondContact O-CE 3.29Å; S132-K152 PolarHBondContact O-NZ 2.91Å; A134-K152 VanDerWaalsContact O-CD 3.23Å; A134-K152 WeakPolarHBondContact O-CD 3.45Å; A134-K152 WeakPolarHBondContact O-CE 3.22Å; A134-K152 PolarHBondContact O-NZ 3.13Å; H136-K152 HydrophobicContact CB-CG 4.25Å; A137-K152 WeakPolarHBondContact CB-O 3.39Å; A137-K152 PolarHBondContact N-O 2.97Å; K152-T266 HydrophobicContact CD-CG2 4.09Å; K152-T266 HydrophobicContact CG-CG2 3.81Å; K152-I267 CarbonylContact C-O 3.18Å; K152-I267 WeakPolarHBondContact CA-O 3.4Å
153	V	90.3	Very high	87.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	-177	-177.2	0	0	0	0	109.2	A137 I139 L142 V151 L231 I267 L297	A137-V153 WeakPolarHBondContact O-CA 3.4Å; I139-V153 HydrophobicContact CD1-CG1 4.34Å; I139-V153 HydrophobicContact CG1-CG1 3.53Å; L142-V153 HydrophobicContact CD1-CG2 4.04Å; L142-V153 HydrophobicContact CD2-CG2 4.12Å; V151-V153 HydrophobicContact CG2-CG2 4.08Å; V153-L231 HydrophobicContact CG1-CD2 3.86Å; V153-I267 PolarHBondContact N-O 2.77Å; V153-I267 PolarHBondContact O-N 2.82Å; V153-L297 HydrophobicContact CB-CD2 4.48Å; V153-L297 HydrophobicContact CG2-CD2 4.3Å
154	H	88.1	Confident	87.2	Confident	28 Å²	28	49.7 Å²	49.7	13%	0.13	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.9	175.6	-177.1	73.9	0	0	0	110.8	H136 T266 D305	H136-H154 HydrophobicContact CB-CB 3.99Å; H154-T266 PolarHBondContact ND1-OG1 2.9Å; H154-D305 IonicContact CE1-OD2 3.44Å; H154-D305 PolarHBondContact CE1-OD2 2.87Å; H154-D305 IonicContact ND1-OD2 2.93Å
155	G	87.4	Confident	87.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-178.8	178	0	0	0	0	0	114.7	Q232 R264 V265	G155-Q232 CarbonylContact C-O 3.52Å; G155-Q232 WeakPolarHBondContact CA-O 3.49Å; G155-R264 WeakPolarHBondContact O-CA 3.37Å; G155-V265 PolarHBondContact N-O 2.87Å; G155-V265 PolarHBondContact O-N 3.02Å; G155-V265 VanDerWaalsContact O-O 3.11Å
156	I	85.7	Confident	87.2	Confident	25 Å²	25	42.6 Å²	42.6	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.7	177.5	-60.2	168.8	0	0	0	108.9	I158 L231 Q232 N263 R264	I156-I158 PolarHBondContact O-N 3.5Å; I156-L231 CarbonylContact O-C 3.51Å; I156-Q232 PolarHBondContact N-O 2.9Å; I156-Q232 PolarHBondContact O-N 3.37Å; I156-N263 WeakPolarHBondContact CA-O 3.3Å; I156-R264 HydrophobicContact CD1-CG 4.43Å; I156-R264 HydrophobicContact CG1-CG 3.79Å
157	V	86.6	Confident	87.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.6	173.4	179.4	0	0	0	0	109.6	L229 R230 L231 V259 P261 G262 N263 V265	V157-L229 HydrophobicContact CG1-CB 4.24Å; V157-R230 CarbonylContact C-O 3.59Å; V157-R230 WeakPolarHBondContact CA-O 3.48Å; V157-L231 HydrophobicContact CG2-CD1 4.19Å; V157-V259 HydrophobicContact CB-CG1 4.06Å; V157-V259 HydrophobicContact CG1-CG1 4.47Å; V157-V259 HydrophobicContact CG2-CG1 3.63Å; V157-P261 CarbonylContact O-C 3.59Å; V157-P261 WeakPolarHBondContact O-CA 3.27Å; V157-G262 PolarHBondContact O-N 2.81Å; V157-N263 PolarHBondContact N-O 2.81Å; V157-V265 HydrophobicContact CG2-CG1 4.36Å; V157-V265 HydrophobicContact CG2-CG2 3.56Å
158	I	82.3	Confident	87	Confident	43 Å²	43	40.7 Å²	40.7	22%	0.221	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-48.4	177.3	-55.3	164.8	0	0	0	110	I156 R230 Q232 H246 P261	I156-I158 PolarHBondContact O-N 3.5Å; I158-R230 PolarHBondContact N-O 3.1Å; I158-Q232 HydrophobicContact CD1-CB 3.65Å; I158-Q232 HydrophobicContact CD1-CG 3.98Å; I158-Q232 HydrophobicContact CG1-CB 3.67Å; I158-Q232 HydrophobicContact CG1-CG 4.35Å; I158-H246 HydrophobicContact CD1-CB 4.17Å; I158-P261 VanDerWaalsContact O-CB 3.25Å; I158-P261 WeakPolarHBondContact O-CB 3.47Å
159	S	80.6	Confident	86.9	Confident	14 Å²	14	42 Å²	42	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.1	-172.2	66.1	0	0	0	0	111.9	L229 R230	S159-L229 CarbonylContact O-C 3.55Å; S159-L229 WeakPolarHBondContact O-CA 3.39Å; S159-R230 PolarHBondContact O-N 3.05Å; S159-R230 WeakPolarHBondContact OG-CD 3.31Å
160	A	85.1	Confident	86.8	Confident	36 Å²	36	36 Å²	36	30%	0.298	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.3	173.6	0	0	0	0	0	108.5	L229	A160-L229 HydrophobicContact CB-CD2 3.37Å
161	T	84.8	Confident	86.7	Confident	46 Å²	46	35.5 Å²	35.5	28%	0.282	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-79.2	157.8	168.6	59.7	0	0	0	0	110.4	Q227 T228	T161-Q227 VanDerWaalsContact O-CG 3.3Å; T161-Q227 WeakPolarHBondContact O-CG 3.29Å; T161-Q227 PolarHBondContact O-NE2 2.81Å; T161-T228 WeakPolarHBondContact CG2-OG1 3.43Å; T161-T228 PolarHBondContact N-O 3.47Å; T161-T228 PolarHBondContact OG1-N 3.02Å; T161-T228 VanDerWaalsContact OG1-N 3.09Å; T161-T228 PolarHBondContact OG1-O 3Å; T161-T228 VanDerWaalsContact OG1-O 3.07Å; T161-T228 PolarHBondContact OG1-OG1 2.97Å
162	A	84.6	Confident	86.5	Confident	81 Å²	81	35 Å²	35	67%	0.669	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-57.9	148.1	165.8	0	0	0	0	0	111
163	V	88.3	Confident	86.3	Confident	49 Å²	49	35.8 Å²	35.8	30%	0.297	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-61.8	136.8	176.8	-178.7	0	0	0	0	110	D225 C256 D257	V163-D225 HydrophobicContact CG1-CB 3.6Å; V163-C256 HydrophobicContact CG2-CB 4.23Å; V163-D257 WeakPolarHBondContact CG2-OD1 3.26Å; V163-D257 VanDerWaalsContact CG2-OD2 3.26Å; V163-D257 WeakPolarHBondContact CG2-OD2 3.45Å
164	K	88.5	Confident	86	Confident	118 Å²	118	35.9 Å²	35.9	51%	0.513	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.2	177.7	-68.6	179.7	-177.9	-179.1	0	109.4	F226	K164-F226 HydrophobicContact CB-CD1 3.87Å; K164-F226 HydrophobicContact CB-CE1 3.28Å; K164-F226 HydrophobicContact CB-CE2 4.29Å; K164-F226 HydrophobicContact CB-CZ 3.53Å; K164-F226 HydrophobicContact CD-CZ 3.93Å; K164-F226 HydrophobicContact CG-CZ 4.35Å; K164-F226 PolarHBondContact N-O 2.86Å; K164-F226 WeakPolarHBondContact O-CD1 3.38Å; K164-F226 PolarHBondContact O-N 2.93Å
165	A	87.3	Confident	85.7	Confident	71 Å²	71	43.4 Å²	43.4	59%	0.587	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.9	175	0	0	0	0	0	111	C223	A165-C223 HydrophobicContact CB-CB 4.33Å
166	K	86.4	Confident	85.2	Confident	41 Å²	41	45.7 Å²	45.7	18%	0.178	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.1	171.9	177.7	-174.7	-176.9	-158.7	0	110	G189 C223 V224 F226 Y250	K166-G189 WeakPolarHBondContact CE-O 3.38Å; K166-G189 VanDerWaalsContact NZ-N 3.18Å; K166-G189 PolarHBondContact NZ-O 2.89Å; K166-C223 CarbonylContact O-C 3.4Å; K166-C223 VanDerWaalsContact O-CA 3.31Å; K166-C223 WeakPolarHBondContact O-CA 3.42Å; K166-V224 PolarHBondContact N-O 3.07Å; K166-V224 PolarHBondContact O-N 3.43Å; K166-F226 HydrophobicContact CB-CB 4.41Å; K166-F226 HydrophobicContact CB-CD1 3.34Å; K166-F226 HydrophobicContact CB-CE1 3.8Å; K166-F226 HydrophobicContact CB-CG 4.11Å; K166-F226 HydrophobicContact CG-CD1 4.48Å; K166-Y250 WeakPolarHBondContact CD-OH 3.45Å; K166-Y250 PolarHBondContact NZ-OH 3.27Å
167	A	85.6	Confident	84.8	Confident	20 Å²	20	46.5 Å²	46.5	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.3	174.1	0	0	0	0	0	111.7	V170 L186 C221 V222	A167-V170 HydrophobicContact CB-CG1 3.48Å; A167-V170 VanDerWaalsContact CB-CG1 3.48Å; A167-L186 HydrophobicContact CB-CD1 3.96Å; A167-L186 VanDerWaalsContact O-CD1 3.25Å; A167-L186 WeakPolarHBondContact O-CD1 3.43Å; A167-C221 HydrophobicContact CB-CB 4.46Å; A167-V222 CarbonylContact C-O 3.58Å; A167-V222 VanDerWaalsContact CA-O 3.31Å; A167-V222 WeakPolarHBondContact CA-O 3.16Å
168	T	84.4	Confident	84.6	Confident	37 Å²	37	55.7 Å²	55.7	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-41.1	167.5	52.2	0	0	0	0	111.1	L186 V222 V224	T168-L186 PolarHBondContact O-N 2.96Å; T168-V222 PolarHBondContact N-O 3.17Å; T168-V222 PolarHBondContact OG1-O 2.87Å; T168-V224 HydrophobicContact CG2-CB 4.15Å; T168-V224 HydrophobicContact CG2-CG1 3.51Å; T168-V224 HydrophobicContact CG2-CG2 3.54Å
169	K	87	Confident	84.6	Confident	87 Å²	87	55.2 Å²	55.2	38%	0.378	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.4	174.6	-64.5	175.6	-176.3	168.6	0	108.2	I184 C221 V222	K169-I184 WeakPolarHBondContact CA-O 3.21Å; K169-C221 WeakPolarHBondContact O-CA 3.23Å; K169-V222 HydrophobicContact CB-CB 4.22Å; K169-V222 HydrophobicContact CB-CG2 4.35Å; K169-V222 PolarHBondContact N-O 3.35Å; K169-V222 PolarHBondContact O-N 3.22Å
170	V	87.7	Confident	84.7	Confident	5 Å²	5	57 Å²	57	3%	0.03	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.5	175.6	-68.5	0	0	0	0	110.8	A167 I184 L186 I216	A167-V170 HydrophobicContact CB-CG1 3.48Å; A167-V170 VanDerWaalsContact CB-CG1 3.48Å; V170-I184 HydrophobicContact CG2-CB 4.04Å; V170-I184 HydrophobicContact CG2-CG2 4.29Å; V170-I184 PolarHBondContact N-O 2.9Å; V170-I184 PolarHBondContact O-N 2.99Å; V170-L186 HydrophobicContact CG1-CD1 3.5Å; V170-L186 VanDerWaalsContact CG1-CD1 3.5Å; V170-L186 HydrophobicContact CG1-CG 4.16Å; V170-L186 HydrophobicContact CG2-CD1 4.26Å; V170-L186 HydrophobicContact CG2-CD2 4.08Å; V170-L186 HydrophobicContact CG2-CG 4.04Å; V170-I216 HydrophobicContact CB-CG2 4.37Å; V170-I216 HydrophobicContact CG1-CG2 4.3Å
171	C	87.4	Confident	84.5	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.1	168.9	-70.3	0	0	0	0	108.5	I217 R220	C171-I217 PolarHBondContact O-N 3.46Å; C171-R220 HydrophobicContact CB-CB 3.85Å; C171-R220 PolarHBondContact SG-O 3.17Å
172	L	87.3	Confident	84.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.5	176.9	-59.7	-179	0	0	0	110	V180 L181 I184 Y193 L195 P196 Y214 F215 I216	L172-V180 CarbonylContact O-C 3.01Å; L172-V180 WeakPolarHBondContact O-CA 3.25Å; L172-L181 HydrophobicContact CB-CB 4.37Å; L172-L181 PolarHBondContact N-O 3.23Å; L172-L181 PolarHBondContact O-N 2.71Å; L172-I184 HydrophobicContact CB-CD1 4.43Å; L172-I184 HydrophobicContact CD1-CD1 3.46Å; L172-I184 VanDerWaalsContact CD1-CD1 3.46Å; L172-I184 HydrophobicContact CG-CD1 3.83Å; L172-Y193 HydrophobicContact CD1-CE1 4.36Å; L172-L195 HydrophobicContact CD1-CD2 3.81Å; L172-L195 HydrophobicContact CD2-CD2 3.47Å; L172-L195 VanDerWaalsContact CD2-CD2 3.47Å; L172-L195 HydrophobicContact CG-CD2 4.31Å; L172-P196 HydrophobicContact CD1-CG 4.4Å; L172-Y214 HydrophobicContact CB-CD1 3.91Å; L172-Y214 HydrophobicContact CB-CG 4.36Å; L172-Y214 HydrophobicContact CD1-CG 4.47Å; L172-F215 WeakPolarHBondContact CA-O 3.39Å; L172-I216 HydrophobicContact CD2-CB 4.4Å; L172-I216 HydrophobicContact CD2-CG1 3.58Å
173	Q	85.9	Confident	83.9	Confident	47 Å²	47	60.6 Å²	60.6	22%	0.22	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.2	171.4	-175.4	175.7	22.7	0	0	110.1	V180 Y214 F215 I217	Q173-V180 HydrophobicContact CB-CG2 4.44Å; Q173-V180 HydrophobicContact CG-CG2 4.13Å; Q173-Y214 WeakPolarHBondContact O-CA 3.42Å; Q173-F215 HydrophobicContact CB-CD1 4.5Å; Q173-F215 HydrophobicContact CB-CE1 3.92Å; Q173-F215 HydrophobicContact CB-CE2 4.38Å; Q173-F215 HydrophobicContact CB-CZ 3.86Å; Q173-F215 HydrophobicContact CG-CE1 4.03Å; Q173-F215 HydrophobicContact CG-CZ 4Å; Q173-F215 PolarHBondContact N-O 3.11Å; Q173-F215 WeakPolarHBondContact O-CD1 3.09Å; Q173-F215 WeakPolarHBondContact O-CE1 3.45Å; Q173-F215 PolarHBondContact O-N 3.33Å; Q173-F215 VanDerWaalsContact OE1-CZ 3.26Å; Q173-I217 HydrophobicContact CB-CD1 3.7Å; Q173-I217 HydrophobicContact CB-CG1 3.83Å; Q173-I217 HydrophobicContact CG-CD1 4.36Å; Q173-I217 VanDerWaalsContact OE1-CD1 3.3Å
174	C	84.6	Confident	83.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.3	174	-179.9	0	0	0	0	110.3	G176 C177 R178 G179 C199 C209 Y214	C174-G176 VanDerWaalsContact C-N 3.33Å; C174-G176 PolarHBondContact O-N 3.13Å; C174-C177 WeakPolarHBondContact CB-SG 3.4Å; C174-C177 PolarHBondContact SG-SG 2.82Å; C174-R178 VanDerWaalsContact O-CA 3.23Å; C174-R178 WeakPolarHBondContact O-CA 3.31Å; C174-R178 PolarHBondContact O-N 3.17Å; C174-R178 VanDerWaalsContact O-N 3.15Å; C174-G179 PolarHBondContact N-O 2.83Å; C174-C199 VanDerWaalsContact SG-SG 3.63Å; C174-C209 VanDerWaalsContact SG-SG 3.66Å; C174-Y214 HydrophobicContact CB-CD1 4.05Å; C174-Y214 HydrophobicContact CB-CE1 3.85Å
175	R	82.2	Confident	83.1	Confident	187 Å²	187	58.5 Å²	58.5	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.5	176	-70.8	-178.4	172.7	169.2	-3.1	113.5	P213 F215	R175-P213 WeakPolarHBondContact CG-O 3.48Å; R175-P213 PolarHBondContact N-O 3.17Å; R175-F215 HydrophobicContact CG-CD1 3.58Å; R175-F215 HydrophobicContact CG-CE1 3.87Å
176	G	77.9	Confident	82.7	Confident	48 Å²	48	57 Å²	57	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-65.2	-175.7	0	0	0	0	0	112.7	C174	C174-G176 VanDerWaalsContact C-N 3.33Å; C174-G176 PolarHBondContact O-N 3.13Å
177	C	76.7	Confident	82	Confident	42 Å²	42	57.5 Å²	57.5	28%	0.284	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.8	-174.4	67.6	0	0	0	0	114.5	C174 G179 C199 S201	C174-C177 WeakPolarHBondContact CB-SG 3.4Å; C174-C177 PolarHBondContact SG-SG 2.82Å; C177-G179 PolarHBondContact O-N 2.76Å; C177-G179 PolarHBondContact SG-N 3.02Å; C177-G179 VanDerWaalsContact SG-N 3.43Å; C177-C199 PolarHBondContact SG-SG 3.16Å; C177-S201 WeakPolarHBondContact CB-OG 3.21Å; C177-S201 PolarHBondContact SG-OG 3.12Å
178	R	81.6	Confident	81.1	Confident	192 Å²	192	59.7 Å²	59.7	73%	0.725	33%	0.326	S	S	*	.			trans	55.5	7.5	-172.6	-62.6	-176.1	176.9	-176.6	-0.9	115.4	C174 V180	C174-R178 VanDerWaalsContact O-CA 3.23Å; C174-R178 WeakPolarHBondContact O-CA 3.31Å; C174-R178 PolarHBondContact O-N 3.17Å; C174-R178 VanDerWaalsContact O-N 3.15Å; R178-V180 PolarHBondContact O-N 3.35Å
179	G	82.6	Confident	80.4	Confident	33 Å²	33	58 Å²	58	34%	0.34	32%	0.316	S	S	.	.			trans	-57	126	173.4	0	0	0	0	0	110.2	C174 C177	C174-G179 PolarHBondContact N-O 2.83Å; C177-G179 PolarHBondContact O-N 2.76Å; C177-G179 PolarHBondContact SG-N 3.02Å; C177-G179 VanDerWaalsContact SG-N 3.43Å
180	V	82.4	Confident	79.5	Confident	51 Å²	51	56.6 Å²	56.6	31%	0.309	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.4	176.9	-176.4	0	0	0	0	107.8	L172 Q173 R178 P182	L172-V180 CarbonylContact O-C 3.01Å; L172-V180 WeakPolarHBondContact O-CA 3.25Å; Q173-V180 HydrophobicContact CB-CG2 4.44Å; Q173-V180 HydrophobicContact CG-CG2 4.13Å; R178-V180 PolarHBondContact O-N 3.35Å; V180-P182 WeakPolarHBondContact O-CD 3.32Å
181	L	81.5	Confident	78.6	Confident	55 Å²	55	60.1 Å²	60.1	29%	0.288	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	94.4	165.8	-65.2	176.8	0	0	0	107.3	L172 I184 Y214	L172-L181 HydrophobicContact CB-CB 4.37Å; L172-L181 PolarHBondContact N-O 3.23Å; L172-L181 PolarHBondContact O-N 2.71Å; L181-I184 HydrophobicContact CB-CD1 4.08Å; L181-Y214 HydrophobicContact CD1-CE1 3.67Å; L181-Y214 WeakPolarHBondContact CD1-OH 3.44Å; L181-Y214 HydrophobicContact CG-CE1 4.16Å
182	P	80.1	Confident	77.5	Confident	80 Å²	80	62.8 Å²	62.8	52%	0.519	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	156.2	179.4	31.8	-35.2	0	0	0	111.4	V180 I184	V180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-I184 PolarHBondContact O-N 3.28Å
183	N	76.6	Confident	76.9	Confident	104 Å²	104	67.1 Å²	67.1	56%	0.556	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.2	42.8	163.6	-60.7	-28.3	0	0	0	116.2	P185	N183-P185 VanDerWaalsContact O-CD 3.23Å; N183-P185 WeakPolarHBondContact O-CD 3.41Å
184	I	82.4	Confident	76.5	Confident	27 Å²	27	69 Å²	69	14%	0.138	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.2	169.9	-65.3	170.9	0	0	0	108.4	K169 V170 L172 L181 P182 L186 Y193	K169-I184 WeakPolarHBondContact CA-O 3.21Å; V170-I184 HydrophobicContact CG2-CB 4.04Å; V170-I184 HydrophobicContact CG2-CG2 4.29Å; V170-I184 PolarHBondContact N-O 2.9Å; V170-I184 PolarHBondContact O-N 2.99Å; L172-I184 HydrophobicContact CB-CD1 4.43Å; L172-I184 HydrophobicContact CD1-CD1 3.46Å; L172-I184 VanDerWaalsContact CD1-CD1 3.46Å; L172-I184 HydrophobicContact CG-CD1 3.83Å; L181-I184 HydrophobicContact CB-CD1 4.08Å; P182-I184 PolarHBondContact O-N 3.28Å; I184-L186 PolarHBondContact O-N 3.35Å; I184-Y193 HydrophobicContact CG2-CE1 4.22Å; I184-Y193 HydrophobicContact CG2-CE2 3.91Å; I184-Y193 WeakPolarHBondContact CG2-OH 3.41Å
185	P	78.3	Confident	76.3	Confident	96 Å²	96	72.2 Å²	72.2	62%	0.623	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.1	177.6	30.5	-32.8	0	0	0	109.8	N183	N183-P185 VanDerWaalsContact O-CD 3.23Å; N183-P185 WeakPolarHBondContact O-CD 3.41Å
186	L	78.9	Confident	76.2	Confident	39 Å²	39	65.4 Å²	65.4	20%	0.204	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-86.4	133.8	171.8	-68.2	176.9	0	0	0	109.3	A167 T168 V170 I184 Y193	A167-L186 HydrophobicContact CB-CD1 3.96Å; A167-L186 VanDerWaalsContact O-CD1 3.25Å; A167-L186 WeakPolarHBondContact O-CD1 3.43Å; T168-L186 PolarHBondContact O-N 2.96Å; V170-L186 HydrophobicContact CG1-CD1 3.5Å; V170-L186 VanDerWaalsContact CG1-CD1 3.5Å; V170-L186 HydrophobicContact CG1-CG 4.16Å; V170-L186 HydrophobicContact CG2-CD1 4.26Å; V170-L186 HydrophobicContact CG2-CD2 4.08Å; V170-L186 HydrophobicContact CG2-CG 4.04Å; I184-L186 PolarHBondContact O-N 3.35Å; L186-Y193 HydrophobicContact CD2-CD1 4.09Å; L186-Y193 HydrophobicContact CD2-CD2 3.72Å; L186-Y193 HydrophobicContact CD2-CG 3.41Å; L186-Y193 VanDerWaalsContact CD2-CG 3.41Å
187	P	71.1	Confident	76.3	Confident	52 Å²	52	71.7 Å²	71.7	34%	0.338	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-61	141.3	175.1	25.4	-32.5	0	0	0	109.9
188	P	67.4	Low	76.4	Confident	67 Å²	67	78.3 Å²	78.3	44%	0.435	43%	0.426	S	S	.	.	S	Bend	trans	-67.3	156.2	178	28.7	-34.6	0	0	0	111.4	R298	P188-R298 VanDerWaalsContact CB-NH2 3.33Å; P188-R298 VanDerWaalsContact CG-NH1 3.33Å
189	G	68.8	Low	76	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.01	40%	0.402	C	S	.	.	S	Bend	trans	94.1	-178	-175.1	0	0	0	0	0	115.5	K166 Q191	K166-G189 WeakPolarHBondContact CE-O 3.38Å; K166-G189 VanDerWaalsContact NZ-N 3.18Å; K166-G189 PolarHBondContact NZ-O 2.89Å; G189-Q191 PolarHBondContact O-N 3.32Å
190	L	68	Low	75.5	Confident	58 Å²	58	75.4 Å²	75.4	30%	0.304	42%	0.42	S	S	.	.	S	Bend	trans	-81.5	34.9	-173.1	-70.5	163.8	0	0	0	113.1	Y250 K274 Y296	L190-Y250 HydrophobicContact CD1-CD2 4.05Å; L190-Y250 HydrophobicContact CD2-CD2 3.89Å; L190-Y250 HydrophobicContact CD2-CE2 3.99Å; L190-Y250 HydrophobicContact CG-CD2 3.65Å; L190-Y250 HydrophobicContact CG-CE2 4.03Å; L190-Y250 HydrophobicContact CG-CG 4.34Å; L190-K274 HydrophobicContact CD1-CD 4.28Å; L190-Y296 HydrophobicContact CB-CE1 4.5Å; L190-Y296 HydrophobicContact CB-CE2 4.41Å; L190-Y296 HydrophobicContact CD1-CD2 3.98Å; L190-Y296 HydrophobicContact CD1-CE2 4.15Å; L190-Y296 HydrophobicContact CD1-CG 4.23Å; L190-Y296 HydrophobicContact CG-CE2 4.36Å; L190-Y296 PolarHBondContact N-OH 3.5Å; L190-Y296 VanDerWaalsContact N-OH 3.14Å
191	Q	69.1	Low	74.7	Confident	79 Å²	79	75 Å²	75	37%	0.369	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-92.4	129	179	-171.4	174.1	-21.4	0	0	110.1	G189 K275	G189-Q191 PolarHBondContact O-N 3.32Å; Q191-K275 HydrophobicContact CG-CB 4.49Å; Q191-K275 HydrophobicContact CG-CD 4.21Å
192	G	65.2	Low	73.5	Confident	60 Å²	60	81.2 Å²	81.2	62%	0.619	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-71.7	145.5	169.8	0	0	0	0	0	111.2
193	Y	74.5	Confident	72.4	Confident	90 Å²	90	82.9 Å²	82.9	35%	0.353	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-95.2	124.7	171.7	-179.6	-97.9	0	0	0	110.1	L172 I184 L186 L195	L172-Y193 HydrophobicContact CD1-CE1 4.36Å; I184-Y193 HydrophobicContact CG2-CE1 4.22Å; I184-Y193 HydrophobicContact CG2-CE2 3.91Å; I184-Y193 WeakPolarHBondContact CG2-OH 3.41Å; L186-Y193 HydrophobicContact CD2-CD1 4.09Å; L186-Y193 HydrophobicContact CD2-CD2 3.72Å; L186-Y193 HydrophobicContact CD2-CG 3.41Å; L186-Y193 VanDerWaalsContact CD2-CG 3.41Å; Y193-L195 HydrophobicContact CD1-CD2 4.28Å; Y193-L195 HydrophobicContact CE1-CD2 4.4Å; Y193-L195 PolarHBondContact O-N 3.37Å
194	A	76.2	Confident	71.1	Confident	87 Å²	87	83.2 Å²	83.2	72%	0.719	47%	0.469	S	S	*	.			trans	-76.1	114.3	173.7	0	0	0	0	0	108.3
195	L	81	Confident	69.7	Low	69 Å²	69	86.1 Å²	86.1	36%	0.361	51%	0.505	S	S	.	.			trans	-61.1	139.2	174.8	-68	170.2	0	0	0	109.7	L172 Y193 R197 I216	L172-L195 HydrophobicContact CD1-CD2 3.81Å; L172-L195 HydrophobicContact CD2-CD2 3.47Å; L172-L195 VanDerWaalsContact CD2-CD2 3.47Å; L172-L195 HydrophobicContact CG-CD2 4.31Å; Y193-L195 HydrophobicContact CD1-CD2 4.28Å; Y193-L195 HydrophobicContact CE1-CD2 4.4Å; Y193-L195 PolarHBondContact O-N 3.37Å; L195-R197 PolarHBondContact O-N 2.96Å; L195-I216 HydrophobicContact CD2-CG1 4.5Å
196	P	79.3	Confident	68.7	Low	43 Å²	43	83.9 Å²	83.9	28%	0.279	50%	0.5	S	S	.	.			trans	-59.2	131.2	176.4	-21.4	31.3	0	0	0	110.9	L172 Y214	L172-P196 HydrophobicContact CD1-CG 4.4Å; P196-Y214 HydrophobicContact CB-CD2 4.17Å; P196-Y214 HydrophobicContact CB-CE2 3.95Å; P196-Y214 HydrophobicContact CG-CE2 4.45Å; P196-Y214 VanDerWaalsContact O-CD2 3.32Å; P196-Y214 WeakPolarHBondContact O-CD2 3.32Å
197	R	79.8	Confident	67.9	Low	181 Å²	181	89.1 Å²	89.1	68%	0.683	53%	0.533	S	S	*	.	S	Bend	trans	-77.7	-22.8	-178.8	-60.6	-152.3	169.9	163	-2.7	114.4	L195 V211 D212	L195-R197 PolarHBondContact O-N 2.96Å; R197-V211 HydrophobicContact CB-CG1 4.42Å; R197-D212 VanDerWaalsContact CA-OD1 3.29Å; R197-D212 WeakPolarHBondContact CA-OD1 3.44Å; R197-D212 WeakPolarHBondContact CB-OD1 3.47Å; R197-D212 WeakPolarHBondContact CG-OD1 3.39Å; R197-D212 PolarHBondContact O-N 3.24Å; R197-D212 VanDerWaalsContact O-N 3.1Å
198	K	79.6	Confident	67.6	Low	180 Å²	180	96 Å²	96	78%	0.783	56%	0.558	S	S	*	*	S	Bend	trans	-115.5	138.5	-176.8	-65.7	-176.2	179.9	-179.7	0	110.1	Y214	K198-Y214 WeakPolarHBondContact O-CE2 3.34Å
199	C	74.1	Confident	67.7	Low	30 Å²	30	94.7 Å²	94.7	20%	0.203	55%	0.549	C	S	.	.			trans	-72.9	138.9	171.5	-164.5	0	0	0	0	110.3	C174 C177 S201 C209 P213 Y214	C174-C199 VanDerWaalsContact SG-SG 3.63Å; C177-C199 PolarHBondContact SG-SG 3.16Å; C199-S201 VanDerWaalsContact C-N 3.31Å; C199-S201 PolarHBondContact SG-OG 2.97Å; C199-C209 HydrophobicContact CB-CB 3.95Å; C199-P213 HydrophobicContact CB-CG 4.23Å; C199-Y214 WeakPolarHBondContact CA-OH 3.41Å
200	N	70.5	Confident	68	Low	134 Å²	134	98.6 Å²	98.6	72%	0.717	57%	0.574	S	S	*	*	S	Bend	trans	-82.7	-9.3	177.9	-163.2	32.5	0	0	0	112.8	E202 Y214	N200-E202 PolarHBondContact O-N 2.97Å; N200-Y214 PolarHBondContact N-OH 3.22Å
201	S	65.6	Low	68.3	Low	43 Å²	43	101.3 Å²	101.3	30%	0.301	59%	0.593	S	S	.	*			trans	-77.9	90.6	176.7	65.3	0	0	0	0	109.8	C177 C199 N203	C177-S201 WeakPolarHBondContact CB-OG 3.21Å; C177-S201 PolarHBondContact SG-OG 3.12Å; C199-S201 VanDerWaalsContact C-N 3.31Å; C199-S201 PolarHBondContact SG-OG 2.97Å; S201-N203 PolarHBondContact O-N 3Å
202	E	57.9	Low	68.7	Low	186 Å²	186	101.9 Å²	101.9	87%	0.869	60%	0.599	S	S	*	*			trans	-73.6	69.8	160.9	-67.4	-172.2	165.8	0	0	108.9	N200 A204	N200-E202 PolarHBondContact O-N 2.97Å; E202-A204 PolarHBondContact O-N 3.35Å
203	N	55.9	Low	69.5	Low	114 Å²	114	99.1 Å²	99.1	61%	0.61	57%	0.57	S	S	*	*			trans	-71.3	100.7	168.3	-80.5	6.1	0	0	0	107.6	S201 G205 G206	S201-N203 PolarHBondContact O-N 3Å; N203-G205 PolarHBondContact O-N 3Å; N203-G206 PolarHBondContact O-N 2.66Å
204	A	49.3	Very low	69.9	Low	112 Å²	112	95.7 Å²	95.7	93%	0.926	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	98.4	167.1	0	0	0	0	0	109.3	E202	E202-A204 PolarHBondContact O-N 3.35Å
205	G	52.4	Low	70.4	Confident	88 Å²	88	95 Å²	95	91%	0.907	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.3	-5.5	175	0	0	0	0	0	116.8	N203	N203-G205 PolarHBondContact O-N 3Å
206	G	57.7	Low	70.6	Confident	49 Å²	49	95.7 Å²	95.7	51%	0.505	54%	0.541	S	S	.	.	S	Bend	trans	-103.6	152.3	179.5	0	0	0	0	0	114.7	N203 K208	N203-G206 PolarHBondContact O-N 2.66Å; G206-K208 PolarHBondContact O-N 2.72Å
207	V	61.8	Low	71	Confident	149 Å²	149	94.7 Å²	94.7	90%	0.903	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-51	124.7	172	179.9	0	0	0	0	109.8	C209	V207-C209 PolarHBondContact O-N 2.85Å
208	K	66.3	Low	71.2	Confident	197 Å²	197	90.6 Å²	90.6	86%	0.857	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-56.2	130.8	180	-70.4	-178.5	179.3	177.8	0	110.1	G206	G206-K208 PolarHBondContact O-N 2.72Å
209	C	69.5	Low	71.6	Confident	38 Å²	38	89.1 Å²	89.1	26%	0.257	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-61.2	145.4	176.4	-69.7	0	0	0	0	110.7	C174 C199 V207 P213	C174-C209 VanDerWaalsContact SG-SG 3.66Å; C199-C209 HydrophobicContact CB-CB 3.95Å; V207-C209 PolarHBondContact O-N 2.85Å; C209-P213 HydrophobicContact CB-CB 4.35Å; C209-P213 HydrophobicContact CB-CG 4.36Å
210	P	74.9	Confident	72.1	Confident	83 Å²	83	95.1 Å²	95.1	54%	0.539	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-62.4	158.5	176.4	26.7	-33.6	0	0	0	111.2	P213	P210-P213 HydrophobicContact CG-CB 4.29Å; P210-P213 WeakPolarHBondContact O-CB 3.44Å; P210-P213 VanDerWaalsContact O-CD 3.23Å; P210-P213 WeakPolarHBondContact O-CD 3.29Å; P210-P213 WeakPolarHBondContact O-CG 3.49Å
211	V	74.6	Confident	72.8	Confident	116 Å²	116	89.8 Å²	89.8	70%	0.703	52%	0.521	S	S	*	.	S	Bend	trans	-64	136.5	172.5	-175.9	0	0	0	0	108.7	R197	R197-V211 HydrophobicContact CB-CG1 4.42Å
212	D	77.6	Confident	73.8	Confident	91 Å²	91	91.2 Å²	91.2	49%	0.487	53%	0.528	S	S	.	.	S	Bend	trans	59.5	56	-172.5	-56.6	-26.1	0	0	0	115	R197	R197-D212 VanDerWaalsContact CA-OD1 3.29Å; R197-D212 WeakPolarHBondContact CA-OD1 3.44Å; R197-D212 WeakPolarHBondContact CB-OD1 3.47Å; R197-D212 WeakPolarHBondContact CG-OD1 3.39Å; R197-D212 PolarHBondContact O-N 3.24Å; R197-D212 VanDerWaalsContact O-N 3.1Å
213	P	80.4	Confident	75.2	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.013	51%	0.511	C	S	.	.			trans	-86.1	-7.2	-173.3	36.1	-35	0	0	0	114.1	R175 C199 C209 P210	R175-P213 WeakPolarHBondContact CG-O 3.48Å; R175-P213 PolarHBondContact N-O 3.17Å; C199-P213 HydrophobicContact CB-CG 4.23Å; C209-P213 HydrophobicContact CB-CB 4.35Å; C209-P213 HydrophobicContact CB-CG 4.36Å; P210-P213 HydrophobicContact CG-CB 4.29Å; P210-P213 WeakPolarHBondContact O-CB 3.44Å; P210-P213 VanDerWaalsContact O-CD 3.23Å; P210-P213 WeakPolarHBondContact O-CD 3.29Å; P210-P213 WeakPolarHBondContact O-CG 3.49Å
214	Y	83.8	Confident	76.8	Confident	18 Å²	18	81.7 Å²	81.7	7%	0.071	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.5	-173.4	-67.4	-74.9	0	0	0	112.5	L172 Q173 C174 L181 P196 K198 C199 N200	L172-Y214 HydrophobicContact CB-CD1 3.91Å; L172-Y214 HydrophobicContact CB-CG 4.36Å; L172-Y214 HydrophobicContact CD1-CG 4.47Å; Q173-Y214 WeakPolarHBondContact O-CA 3.42Å; C174-Y214 HydrophobicContact CB-CD1 4.05Å; C174-Y214 HydrophobicContact CB-CE1 3.85Å; L181-Y214 HydrophobicContact CD1-CE1 3.67Å; L181-Y214 WeakPolarHBondContact CD1-OH 3.44Å; L181-Y214 HydrophobicContact CG-CE1 4.16Å; P196-Y214 HydrophobicContact CB-CD2 4.17Å; P196-Y214 HydrophobicContact CB-CE2 3.95Å; P196-Y214 HydrophobicContact CG-CE2 4.45Å; P196-Y214 VanDerWaalsContact O-CD2 3.32Å; P196-Y214 WeakPolarHBondContact O-CD2 3.32Å; K198-Y214 WeakPolarHBondContact O-CE2 3.34Å; C199-Y214 WeakPolarHBondContact CA-OH 3.41Å; N200-Y214 PolarHBondContact N-OH 3.22Å
215	F	85.5	Confident	78.8	Confident	73 Å²	73	80.6 Å²	80.6	32%	0.32	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.7	164.5	68.1	-80.7	0	0	0	109.9	L172 Q173 R175 I217	L172-F215 WeakPolarHBondContact CA-O 3.39Å; Q173-F215 HydrophobicContact CB-CD1 4.5Å; Q173-F215 HydrophobicContact CB-CE1 3.92Å; Q173-F215 HydrophobicContact CB-CE2 4.38Å; Q173-F215 HydrophobicContact CB-CZ 3.86Å; Q173-F215 HydrophobicContact CG-CE1 4.03Å; Q173-F215 HydrophobicContact CG-CZ 4Å; Q173-F215 PolarHBondContact N-O 3.11Å; Q173-F215 WeakPolarHBondContact O-CD1 3.09Å; Q173-F215 WeakPolarHBondContact O-CE1 3.45Å; Q173-F215 PolarHBondContact O-N 3.33Å; Q173-F215 VanDerWaalsContact OE1-CZ 3.26Å; R175-F215 HydrophobicContact CG-CD1 3.58Å; R175-F215 HydrophobicContact CG-CE1 3.87Å; F215-I217 HydrophobicContact CE2-CG1 4.11Å
216	I	86.8	Confident	80.6	Confident	83 Å²	83	78.1 Å²	78.1	43%	0.426	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.4	179.6	-59.1	166.6	0	0	0	108	V170 L172 L195 P218 C221	V170-I216 HydrophobicContact CB-CG2 4.37Å; V170-I216 HydrophobicContact CG1-CG2 4.3Å; L172-I216 HydrophobicContact CD2-CB 4.4Å; L172-I216 HydrophobicContact CD2-CG1 3.58Å; L195-I216 HydrophobicContact CD2-CG1 4.5Å; I216-P218 WeakPolarHBondContact O-CD 3.34Å; I216-C221 WeakPolarHBondContact CG2-SG 2.92Å
217	I	87.4	Confident	82	Confident	21 Å²	21	76 Å²	76	11%	0.108	41%	0.409	C	S	.	.			trans	-85.9	109.8	169.9	-58.8	177.1	0	0	0	107.9	C171 Q173 F215 D219 R220 C221	C171-I217 PolarHBondContact O-N 3.46Å; Q173-I217 HydrophobicContact CB-CD1 3.7Å; Q173-I217 HydrophobicContact CB-CG1 3.83Å; Q173-I217 HydrophobicContact CG-CD1 4.36Å; Q173-I217 VanDerWaalsContact OE1-CD1 3.3Å; F215-I217 HydrophobicContact CE2-CG1 4.11Å; I217-D219 VanDerWaalsContact C-N 3.31Å; I217-D219 HydrophobicContact CG2-CB 4.18Å; I217-D219 PolarHBondContact O-N 2.74Å; I217-R220 HydrophobicContact CG2-CB 4.47Å; I217-R220 HydrophobicContact CG2-CG 4.36Å; I217-R220 PolarHBondContact O-N 2.69Å; I217-C221 PolarHBondContact O-SG 3.33Å
218	P	84.1	Confident	83.4	Confident	95 Å²	95	69.9 Å²	69.9	62%	0.617	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-62	-38.1	-178.6	25.1	-32.9	0	0	0	112.4	I216 R220 C221	I216-P218 WeakPolarHBondContact O-CD 3.34Å; P218-R220 PolarHBondContact O-N 2.76Å; P218-R220 VanDerWaalsContact O-N 3.13Å; P218-C221 WeakPolarHBondContact O-CB 3Å; P218-C221 PolarHBondContact O-N 2.95Å
219	D	86.9	Confident	84.5	Confident	149 Å²	149	60.6 Å²	60.6	80%	0.797	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.4	-173.7	-53.2	-17.3	0	0	0	114.4	I217	I217-D219 VanDerWaalsContact C-N 3.31Å; I217-D219 HydrophobicContact CG2-CB 4.18Å; I217-D219 PolarHBondContact O-N 2.74Å
220	R	84.8	Confident	85.5	Confident	156 Å²	156	62.7 Å²	62.7	59%	0.589	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-107.5	6.1	179.6	-63.2	-172.9	-178.2	-173	0.2	113	C171 I217 P218	C171-R220 HydrophobicContact CB-CB 3.85Å; C171-R220 PolarHBondContact SG-O 3.17Å; I217-R220 HydrophobicContact CG2-CB 4.47Å; I217-R220 HydrophobicContact CG2-CG 4.36Å; I217-R220 PolarHBondContact O-N 2.69Å; P218-R220 PolarHBondContact O-N 2.76Å; P218-R220 VanDerWaalsContact O-N 3.13Å
221	C	85.6	Confident	86.2	Confident	22 Å²	22	58.8 Å²	58.8	15%	0.149	31%	0.309	C	S	.	.			trans	-83.9	138.6	177	-69.5	0	0	0	0	110.2	A167 K169 I216 I217 P218	A167-C221 HydrophobicContact CB-CB 4.46Å; K169-C221 WeakPolarHBondContact O-CA 3.23Å; I216-C221 WeakPolarHBondContact CG2-SG 2.92Å; I217-C221 PolarHBondContact O-SG 3.33Å; P218-C221 WeakPolarHBondContact O-CB 3Å; P218-C221 PolarHBondContact O-N 2.95Å
222	V	86.6	Confident	86.9	Confident	74 Å²	74	55.8 Å²	55.8	45%	0.448	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.1	168.3	-178.2	0	0	0	0	107.1	A167 T168 K169	A167-V222 CarbonylContact C-O 3.58Å; A167-V222 VanDerWaalsContact CA-O 3.31Å; A167-V222 WeakPolarHBondContact CA-O 3.16Å; T168-V222 PolarHBondContact N-O 3.17Å; T168-V222 PolarHBondContact OG1-O 2.87Å; K169-V222 HydrophobicContact CB-CB 4.22Å; K169-V222 HydrophobicContact CB-CG2 4.35Å; K169-V222 PolarHBondContact N-O 3.35Å; K169-V222 PolarHBondContact O-N 3.22Å
223	C	87.1	Confident	87.3	Confident	73 Å²	73	51.7 Å²	51.7	49%	0.493	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.7	179.8	-65.7	0	0	0	0	110.7	A165 K166	A165-C223 HydrophobicContact CB-CB 4.33Å; K166-C223 CarbonylContact O-C 3.4Å; K166-C223 VanDerWaalsContact O-CA 3.31Å; K166-C223 WeakPolarHBondContact O-CA 3.42Å
224	V	89.6	Confident	87.3	Confident	26 Å²	26	51.8 Å²	51.8	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.5	170.4	-61.5	0	0	0	0	109	K166 T168 R253	K166-V224 PolarHBondContact N-O 3.07Å; K166-V224 PolarHBondContact O-N 3.43Å; T168-V224 HydrophobicContact CG2-CB 4.15Å; T168-V224 HydrophobicContact CG2-CG1 3.51Å; T168-V224 HydrophobicContact CG2-CG2 3.54Å; V224-R253 HydrophobicContact CB-CG 3.98Å; V224-R253 HydrophobicContact CG1-CG 4.08Å; V224-R253 HydrophobicContact CG2-CG 4.5Å
225	D	91.1	Very high	86.7	Confident	89 Å²	89	54.6 Å²	54.6	48%	0.476	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.9	174.7	-65.4	-33.2	0	0	0	110.6	V163 R253	V163-D225 HydrophobicContact CG1-CB 3.6Å; D225-R253 PolarHBondContact O-N 3.27Å
226	F	89.7	Confident	86.1	Confident	36 Å²	36	57.7 Å²	57.7	16%	0.158	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.1	170.5	83.2	-82.6	0	0	0	110.6	K164 K166 Y250 C251	K164-F226 HydrophobicContact CB-CD1 3.87Å; K164-F226 HydrophobicContact CB-CE1 3.28Å; K164-F226 HydrophobicContact CB-CE2 4.29Å; K164-F226 HydrophobicContact CB-CZ 3.53Å; K164-F226 HydrophobicContact CD-CZ 3.93Å; K164-F226 HydrophobicContact CG-CZ 4.35Å; K164-F226 PolarHBondContact N-O 2.86Å; K164-F226 WeakPolarHBondContact O-CD1 3.38Å; K164-F226 PolarHBondContact O-N 2.93Å; K166-F226 HydrophobicContact CB-CB 4.41Å; K166-F226 HydrophobicContact CB-CD1 3.34Å; K166-F226 HydrophobicContact CB-CE1 3.8Å; K166-F226 HydrophobicContact CB-CG 4.11Å; K166-F226 HydrophobicContact CG-CD1 4.48Å; F226-Y250 HydrophobicContact CB-CE2 4.09Å; F226-Y250 HydrophobicContact CD2-CD2 4.38Å; F226-Y250 AromaticContact CD2-CE2 3.82Å; F226-Y250 HydrophobicContact CD2-CE2 3.82Å; F226-Y250 HydrophobicContact CG-CE2 4.23Å; F226-C251 WeakPolarHBondContact CA-O 3.17Å
227	Q	89	Confident	85.4	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.023	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145	178.9	-169.8	174.6	36.4	0	0	109.7	T161 L229 C251 C256 D257	T161-Q227 VanDerWaalsContact O-CG 3.3Å; T161-Q227 WeakPolarHBondContact O-CG 3.29Å; T161-Q227 PolarHBondContact O-NE2 2.81Å; Q227-L229 HydrophobicContact CG-CD2 4.03Å; Q227-C251 HydrophobicContact CB-CB 4.49Å; Q227-C251 PolarHBondContact N-O 2.86Å; Q227-C251 PolarHBondContact O-N 2.81Å; Q227-C256 HydrophobicContact CB-CB 4.22Å; Q227-D257 PolarHBondContact NE2-OD1 3.44Å
228	T	89.5	Confident	84.9	Confident	21 Å²	21	56.3 Å²	56.3	13%	0.129	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127	171.6	57.5	0	0	0	0	110.1	T161 L249	T161-T228 WeakPolarHBondContact CG2-OG1 3.43Å; T161-T228 PolarHBondContact N-O 3.47Å; T161-T228 PolarHBondContact OG1-N 3.02Å; T161-T228 VanDerWaalsContact OG1-N 3.09Å; T161-T228 PolarHBondContact OG1-O 3Å; T161-T228 VanDerWaalsContact OG1-O 3.07Å; T161-T228 PolarHBondContact OG1-OG1 2.97Å; T228-L249 WeakPolarHBondContact CA-O 3.46Å
229	L	90.4	Very high	84.6	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	153.3	177	-50	174.5	0	0	0	108.9	V157 S159 A160 Q227 L249 C251 V259	V157-L229 HydrophobicContact CG1-CB 4.24Å; S159-L229 CarbonylContact O-C 3.55Å; S159-L229 WeakPolarHBondContact O-CA 3.39Å; A160-L229 HydrophobicContact CB-CD2 3.37Å; Q227-L229 HydrophobicContact CG-CD2 4.03Å; L229-L249 HydrophobicContact CB-CB 4.01Å; L229-L249 HydrophobicContact CB-CD1 3.78Å; L229-L249 HydrophobicContact CB-CG 4.39Å; L229-L249 HydrophobicContact CD1-CD1 4.35Å; L229-L249 PolarHBondContact N-O 2.79Å; L229-L249 VanDerWaalsContact N-O 3.12Å; L229-L249 PolarHBondContact O-N 2.83Å; L229-C251 VanDerWaalsContact CD1-SG 3.52Å; L229-V259 HydrophobicContact CD1-CB 4.31Å
230	R	90.2	Very high	84.2	Confident	82 Å²	82	56.8 Å²	56.8	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.1	169.7	-67.6	-169.8	-177.9	153.2	7.1	109.2	V157 I158 S159 D424	V157-R230 CarbonylContact C-O 3.59Å; V157-R230 WeakPolarHBondContact CA-O 3.48Å; I158-R230 PolarHBondContact N-O 3.1Å; S159-R230 PolarHBondContact O-N 3.05Å; S159-R230 WeakPolarHBondContact OG-CD 3.31Å; R230-D424 IonicContact CZ-OD2 3.56Å; R230-D424 IonicContact NH1-OD2 2.69Å; R230-D424 IonicContact NH2-OD2 3.05Å; R230-D424 PolarHBondContact NH2-OD2 3.35Å
231	L	90.3	Very high	83.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.7	175.1	-166.2	69.8	0	0	0	110.1	I139 V153 I156 V157 H246 M247 L249 V265 I267	I139-L231 HydrophobicContact CD1-CD2 4.15Å; I139-L231 HydrophobicContact CD1-CG 4.35Å; V153-L231 HydrophobicContact CG1-CD2 3.86Å; I156-L231 CarbonylContact O-C 3.51Å; V157-L231 HydrophobicContact CG2-CD1 4.19Å; L231-H246 CarbonylContact O-C 3.55Å; L231-H246 WeakPolarHBondContact O-CA 3.44Å; L231-H246 WeakPolarHBondContact O-CB 3.25Å; L231-M247 PolarHBondContact N-O 3.04Å; L231-M247 PolarHBondContact O-N 2.99Å; L231-L249 HydrophobicContact CB-CD1 3.77Å; L231-L249 HydrophobicContact CB-CD2 4.1Å; L231-L249 HydrophobicContact CB-CG 3.94Å; L231-L249 HydrophobicContact CD1-CD1 4.31Å; L231-L249 HydrophobicContact CD2-CD2 4.32Å; L231-L249 HydrophobicContact CG-CD1 4.48Å; L231-V265 HydrophobicContact CD1-CG2 3.58Å; L231-I267 HydrophobicContact CD1-CD1 3.92Å; L231-I267 HydrophobicContact CD2-CD1 4.18Å
232	Q	88.4	Confident	83.7	Confident	54 Å²	54	57.5 Å²	57.5	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.4	169.3	-160.2	168.6	9.7	0	0	110.3	G155 I156 I158 P244	G155-Q232 CarbonylContact C-O 3.52Å; G155-Q232 WeakPolarHBondContact CA-O 3.49Å; I156-Q232 PolarHBondContact N-O 2.9Å; I156-Q232 PolarHBondContact O-N 3.37Å; I158-Q232 HydrophobicContact CD1-CB 3.65Å; I158-Q232 HydrophobicContact CD1-CG 3.98Å; I158-Q232 HydrophobicContact CG1-CB 3.67Å; I158-Q232 HydrophobicContact CG1-CG 4.35Å; Q232-P244 HydrophobicContact CG-CB 4.03Å
233	E	87.3	Confident	83.4	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.019	35%	0.352	C	S	.	.			trans	-59.6	139.3	168.4	-169.5	162.1	-130.5	0	0	110.7	I139 R140 A237 V238 R245	I139-E233 HydrophobicContact CD1-CB 4.05Å; R140-E233 WeakPolarHBondContact CD-OE1 3.29Å; R140-E233 WeakPolarHBondContact CD-OE2 3.31Å; R140-E233 WeakPolarHBondContact CG-OE1 3.3Å; R140-E233 IonicContact NE-OE1 3.62Å; R140-E233 IonicContact NE-OE2 2.7Å; R140-E233 PolarHBondContact NE-OE2 2.89Å; E233-A237 HydrophobicContact CG-CB 4.05Å; E233-V238 HydrophobicContact CB-CG2 4.48Å; E233-V238 HydrophobicContact CG-CG2 4.22Å; E233-R245 PolarHBondContact N-O 2.55Å; E233-R245 VanDerWaalsContact N-O 3.13Å
234	A	79.6	Confident	83.2	Confident	5 Å²	5	61.1 Å²	61.1	4%	0.041	34%	0.344	C	S	.	.			trans	-63.2	141.7	175	0	0	0	0	0	109.9	D236 A237	A234-D236 PolarHBondContact O-N 3Å; A234-D236 VanDerWaalsContact O-N 3.14Å; A234-A237 PolarHBondContact O-N 2.68Å
235	P	71.4	Confident	83.1	Confident	77 Å²	77	66.1 Å²	66.1	50%	0.5	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-58.9	-30.3	-176.1	24.1	-34.2	0	0	0	112.8	A237 V238	P235-A237 PolarHBondContact O-N 3.34Å; P235-V238 PolarHBondContact O-N 3.35Å
236	D	73.1	Confident	83	Confident	138 Å²	138	67.9 Å²	67.9	74%	0.738	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.4	-26.8	179.2	-57.1	-37.5	0	0	0	113.1	A234	A234-D236 PolarHBondContact O-N 3Å; A234-D236 VanDerWaalsContact O-N 3.14Å
237	A	71	Confident	83	Confident	45 Å²	45	66.7 Å²	66.7	37%	0.372	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-94.4	-2.1	-178.1	0	0	0	0	0	113.4	E233 A234 P235 P239	E233-A237 HydrophobicContact CG-CB 4.05Å; A234-A237 PolarHBondContact O-N 2.68Å; P235-A237 PolarHBondContact O-N 3.34Å; A237-P239 WeakPolarHBondContact O-CD 3.34Å
238	V	77.4	Confident	83	Confident	29 Å²	29	69.2 Å²	69.2	18%	0.176	37%	0.372	C	S	.	.	S	Bend	trans	-85.8	120.5	-177.2	-176.1	0	0	0	0	109.7	E233 P235 E242 P244	E233-V238 HydrophobicContact CB-CG2 4.48Å; E233-V238 HydrophobicContact CG-CG2 4.22Å; P235-V238 PolarHBondContact O-N 3.35Å; V238-E242 WeakPolarHBondContact CG1-O 3.37Å; V238-P244 HydrophobicContact CG2-CB 3.99Å
239	P	78.5	Confident	83.2	Confident	59 Å²	59	68.2 Å²	68.2	38%	0.383	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-64.8	143.2	173.1	27.2	-32.5	0	0	0	110.6	R140 A237 G241 E242	R140-P239 VanDerWaalsContact CZ-CG 3.47Å; A237-P239 WeakPolarHBondContact O-CD 3.34Å; P239-G241 PolarHBondContact O-N 2.94Å; P239-E242 PolarHBondContact O-N 3.28Å
240	H	78.3	Confident	83.3	Confident	196 Å²	196	68.1 Å²	68.1	91%	0.907	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	126.4	-178.7	-58.6	-53.8	0	0	0	111.5
241	G	77.8	Confident	83.3	Confident	89 Å²	89	64.2 Å²	64.2	92%	0.918	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-6.4	174.5	0	0	0	0	0	115.9	P239	P239-G241 PolarHBondContact O-N 2.94Å
242	E	81.3	Confident	83.2	Confident	104 Å²	104	65 Å²	65	49%	0.486	36%	0.355	S	S	.	.	S	Bend	trans	-111.3	150	175.5	-70.6	-170.5	-158.6	0	0	113.2	R140 V238 P239	R140-E242 IonicContact CZ-OE2 3.58Å; R140-E242 IonicContact NH1-OE1 2.83Å; R140-E242 IonicContact NH1-OE2 3.65Å; R140-E242 PolarHBondContact NH1-OE2 3.05Å; R140-E242 VanDerWaalsContact NH2-CB 3.34Å; R140-E242 IonicContact NH2-OE2 3.52Å; R140-E242 PolarHBondContact NH2-OE2 2.8Å; V238-E242 WeakPolarHBondContact CG1-O 3.37Å; P239-E242 PolarHBondContact O-N 3.28Å
243	M	80.2	Confident	83.2	Confident	171 Å²	171	65.7 Å²	65.7	84%	0.842	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-73	139.7	172.8	-68.2	-177.7	175.4	0	0	110.9	R245	M243-R245 PolarHBondContact O-N 3.23Å
244	P	83.3	Confident	83.3	Confident	51 Å²	51	69.1 Å²	69.1	33%	0.331	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61	134	176.3	23.3	-33	0	0	0	111.4	Q232 V238	Q232-P244 HydrophobicContact CG-CB 4.03Å; V238-P244 HydrophobicContact CG2-CB 3.99Å
245	R	87.7	Confident	83.7	Confident	131 Å²	131	69 Å²	69	49%	0.494	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-81.6	149.1	177.1	-62.3	-175.8	-175	-174.2	2.6	110.3	I139 E233 M243	I139-R245 HydrophobicContact CG2-CB 4.25Å; E233-R245 PolarHBondContact N-O 2.55Å; E233-R245 VanDerWaalsContact N-O 3.13Å; M243-R245 PolarHBondContact O-N 3.23Å
246	H	88.9	Confident	84.6	Confident	126 Å²	126	66.2 Å²	66.2	58%	0.583	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.7	173.4	64.8	-90.7	0	0	0	111.2	I158 L231	I158-H246 HydrophobicContact CD1-CB 4.17Å; L231-H246 CarbonylContact O-C 3.55Å; L231-H246 WeakPolarHBondContact O-CA 3.44Å; L231-H246 WeakPolarHBondContact O-CB 3.25Å
247	M	88.6	Confident	85.2	Confident	12 Å²	12	65 Å²	65	6%	0.059	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.1	180	-176.4	168.8	59.3	0	0	110.4	L142 L231 Y271 L297	L142-M247 HydrophobicContact CD1-CE 3.73Å; L142-M247 HydrophobicContact CD1-SD 3.88Å; L231-M247 PolarHBondContact N-O 3.04Å; L231-M247 PolarHBondContact O-N 2.99Å; M247-Y271 HydrophobicContact SD-CD2 4.14Å; M247-Y271 HydrophobicContact SD-CE2 3.85Å; M247-L297 HydrophobicContact CE-CB 3.74Å; M247-L297 HydrophobicContact CE-CD2 3.81Å; M247-L297 HydrophobicContact CE-CG 4.28Å; M247-L297 HydrophobicContact SD-CB 4.16Å
248	Q	90.8	Very high	85.9	Confident	58 Å²	58	67.3 Å²	67.3	27%	0.271	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.6	175.3	-170.4	172.8	9.6	0	0	110.8	Y296 L297	Q248-Y296 WeakPolarHBondContact O-CA 3Å; Q248-Y296 WeakPolarHBondContact O-CB 3.5Å; Q248-L297 PolarHBondContact O-N 3.43Å
249	L	92.1	Very high	86.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.3	175	-52.9	170.2	0	0	0	109.9	T228 L229 L231 I267 L297 V299	T228-L249 WeakPolarHBondContact CA-O 3.46Å; L229-L249 HydrophobicContact CB-CB 4.01Å; L229-L249 HydrophobicContact CB-CD1 3.78Å; L229-L249 HydrophobicContact CB-CG 4.39Å; L229-L249 HydrophobicContact CD1-CD1 4.35Å; L229-L249 PolarHBondContact N-O 2.79Å; L229-L249 VanDerWaalsContact N-O 3.12Å; L229-L249 PolarHBondContact O-N 2.83Å; L231-L249 HydrophobicContact CB-CD1 3.77Å; L231-L249 HydrophobicContact CB-CD2 4.1Å; L231-L249 HydrophobicContact CB-CG 3.94Å; L231-L249 HydrophobicContact CD1-CD1 4.31Å; L231-L249 HydrophobicContact CD2-CD2 4.32Å; L231-L249 HydrophobicContact CG-CD1 4.48Å; L249-I267 HydrophobicContact CD1-CD1 3.15Å; L249-I267 HydrophobicContact CD2-CD1 3.86Å; L249-I267 HydrophobicContact CD2-CG2 4.46Å; L249-I267 HydrophobicContact CG-CD1 4.1Å; L249-L297 CarbonylContact C-O 3.52Å; L249-L297 WeakPolarHBondContact CA-O 3.39Å; L249-L297 HydrophobicContact CD2-CB 3.76Å; L249-L297 HydrophobicContact CD2-CD2 3.73Å; L249-L297 HydrophobicContact CD2-CG 4.22Å; L249-V299 HydrophobicContact CB-CG2 3.92Å; L249-V299 HydrophobicContact CD2-CG2 4.26Å
250	Y	92.3	Very high	86.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.7	175.2	174.3	-95.3	0	0	0	109.1	K166 L190 F226 D252 Y296 L297 R298 V299	K166-Y250 WeakPolarHBondContact CD-OH 3.45Å; K166-Y250 PolarHBondContact NZ-OH 3.27Å; L190-Y250 HydrophobicContact CD1-CD2 4.05Å; L190-Y250 HydrophobicContact CD2-CD2 3.89Å; L190-Y250 HydrophobicContact CD2-CE2 3.99Å; L190-Y250 HydrophobicContact CG-CD2 3.65Å; L190-Y250 HydrophobicContact CG-CE2 4.03Å; L190-Y250 HydrophobicContact CG-CG 4.34Å; F226-Y250 HydrophobicContact CB-CE2 4.09Å; F226-Y250 HydrophobicContact CD2-CD2 4.38Å; F226-Y250 AromaticContact CD2-CE2 3.82Å; F226-Y250 HydrophobicContact CD2-CE2 3.82Å; F226-Y250 HydrophobicContact CG-CE2 4.23Å; Y250-D252 WeakPolarHBondContact CE1-OD1 3.23Å; Y250-D252 WeakPolarHBondContact CE1-OD2 3.49Å; Y250-D252 PolarHBondContact OH-OD1 3.14Å; Y250-Y296 HydrophobicContact CG-CE2 4.36Å; Y250-L297 PolarHBondContact N-O 3.19Å; Y250-R298 HydrophobicContact CD1-CB 4.47Å; Y250-R298 HydrophobicContact CD1-CG 4.08Å; Y250-V299 WeakPolarHBondContact O-CB 3.36Å; Y250-V299 PolarHBondContact O-N 3.16Å
251	C	91.1	Very high	86.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.5	-178.1	-56.3	0	0	0	0	109.7	F226 Q227 L229 L255	F226-C251 WeakPolarHBondContact CA-O 3.17Å; Q227-C251 HydrophobicContact CB-CB 4.49Å; Q227-C251 PolarHBondContact N-O 2.86Å; Q227-C251 PolarHBondContact O-N 2.81Å; L229-C251 VanDerWaalsContact CD1-SG 3.52Å; C251-L255 HydrophobicContact CB-CB 3.97Å
252	D	88.9	Confident	86	Confident	16 Å²	16	58 Å²	58	9%	0.086	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.5	-178.2	-73.7	-39.5	0	0	0	110.8	Q127 Y250 Y254 L255 R298	Q127-D252 PolarHBondContact NE2-O 2.86Å; Y250-D252 WeakPolarHBondContact CE1-OD1 3.23Å; Y250-D252 WeakPolarHBondContact CE1-OD2 3.49Å; Y250-D252 PolarHBondContact OH-OD1 3.14Å; D252-Y254 PolarHBondContact O-N 3.18Å; D252-L255 WeakPolarHBondContact O-CB 3.37Å; D252-L255 PolarHBondContact O-N 3.1Å; D252-L255 VanDerWaalsContact O-N 3.12Å; D252-R298 IonicContact OD2-NE 3.62Å; D252-R298 IonicContact OD2-NH2 3.29Å
253	R	88.6	Confident	85.8	Confident	68 Å²	68	54.2 Å²	54.2	26%	0.257	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	52.8	-117.2	166.7	-63.4	175.2	-174.5	164.1	1.7	112.3	E102 V224 D225 L255 C256	E102-R253 IonicContact OE1-NH1 2.74Å; E102-R253 IonicContact OE2-NH1 2.97Å; E102-R253 PolarHBondContact OE2-NH1 3.02Å; V224-R253 HydrophobicContact CB-CG 3.98Å; V224-R253 HydrophobicContact CG1-CG 4.08Å; V224-R253 HydrophobicContact CG2-CG 4.5Å; D225-R253 PolarHBondContact O-N 3.27Å; R253-L255 PolarHBondContact O-N 2.98Å; R253-L255 VanDerWaalsContact O-N 3.17Å; R253-C256 WeakPolarHBondContact O-CB 3.38Å; R253-C256 PolarHBondContact O-N 3.3Å; R253-C256 VanDerWaalsContact O-N 3.13Å; R253-C256 PolarHBondContact O-SG 3.38Å; R253-C256 VanDerWaalsContact O-SG 3.33Å
254	Y	88.7	Confident	85.8	Confident	76 Å²	76	49.9 Å²	49.9	30%	0.298	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-70	-8.6	-175.4	-75	-82.6	0	0	0	114.7	F70 W71 Q127 D252 C256 R258	F70-Y254 HydrophobicContact CB-CE2 4.03Å; F70-Y254 VanDerWaalsContact CD2-OH 3.24Å; F70-Y254 WeakPolarHBondContact CD2-OH 3.37Å; F70-Y254 PolarHBondContact N-OH 3.35Å; F70-Y254 VanDerWaalsContact N-OH 3.09Å; W71-Y254 HydrophobicContact CB-CD2 4.3Å; W71-Y254 HydrophobicContact CB-CG 4.48Å; W71-Y254 AromaticContact CD1-CD1 3.82Å; W71-Y254 AromaticContact CD1-CG 3.98Å; Q127-Y254 HydrophobicContact CB-CD2 4.46Å; D252-Y254 PolarHBondContact O-N 3.18Å; Y254-C256 VanDerWaalsContact C-N 3.33Å; Y254-R258 WeakPolarHBondContact O-CG 3.38Å; Y254-R258 PolarHBondContact O-NE 3.27Å; Y254-R258 VanDerWaalsContact O-NE 3.16Å
255	L	88.3	Confident	86	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-82.7	-11.8	173.9	-63.7	171.4	0	0	0	112.6	M129 C251 D252 R253 V299 I302	M129-L255 HydrophobicContact CG-CD2 4.34Å; M129-L255 HydrophobicContact SD-CD2 3.61Å; M129-L255 HydrophobicContact SD-CG 4.44Å; C251-L255 HydrophobicContact CB-CB 3.97Å; D252-L255 WeakPolarHBondContact O-CB 3.37Å; D252-L255 PolarHBondContact O-N 3.1Å; D252-L255 VanDerWaalsContact O-N 3.12Å; R253-L255 PolarHBondContact O-N 2.98Å; R253-L255 VanDerWaalsContact O-N 3.17Å; L255-V299 HydrophobicContact CD1-CB 4.39Å; L255-V299 HydrophobicContact CD1-CG1 4.09Å; L255-I302 HydrophobicContact CB-CD1 4.24Å; L255-I302 HydrophobicContact CD2-CB 4.32Å; L255-I302 HydrophobicContact CD2-CD1 4.13Å; L255-I302 HydrophobicContact CD2-CG1 4.03Å
256	C	89.2	Confident	86	Confident	19 Å²	19	41.7 Å²	41.7	13%	0.128	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	144	175.5	-57.2	0	0	0	0	110.7	V163 Q227 R253 Y254 R258	V163-C256 HydrophobicContact CG2-CB 4.23Å; Q227-C256 HydrophobicContact CB-CB 4.22Å; R253-C256 WeakPolarHBondContact O-CB 3.38Å; R253-C256 PolarHBondContact O-N 3.3Å; R253-C256 VanDerWaalsContact O-N 3.13Å; R253-C256 PolarHBondContact O-SG 3.38Å; R253-C256 VanDerWaalsContact O-SG 3.33Å; Y254-C256 VanDerWaalsContact C-N 3.33Å; C256-R258 PolarHBondContact O-N 3.41Å
257	D	86.8	Confident	86.1	Confident	114 Å²	114	35.7 Å²	35.7	61%	0.61	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	12.2	178.9	-66.4	-20.1	0	0	0	115.9	V163 Q227 V259	V163-D257 WeakPolarHBondContact CG2-OD1 3.26Å; V163-D257 VanDerWaalsContact CG2-OD2 3.26Å; V163-D257 WeakPolarHBondContact CG2-OD2 3.45Å; Q227-D257 PolarHBondContact NE2-OD1 3.44Å; D257-V259 VanDerWaalsContact C-N 3.35Å
258	R	84.6	Confident	86.3	Confident	93 Å²	93	35.6 Å²	35.6	35%	0.351	18%	0.178	S	C	.	.	S	Bend	trans	-70.8	-29.7	171.7	-73.7	-88.3	-175.2	146.6	-6.6	112.7	Y254 C256 M304	Y254-R258 WeakPolarHBondContact O-CG 3.38Å; Y254-R258 PolarHBondContact O-NE 3.27Å; Y254-R258 VanDerWaalsContact O-NE 3.16Å; C256-R258 PolarHBondContact O-N 3.41Å; R258-M304 VanDerWaalsContact O-SD 3.38Å
259	V	83.6	Confident	86.3	Confident	7 Å²	7	32.8 Å²	32.8	4%	0.042	17%	0.165	C	C	.	.			trans	-118.1	127.3	-171.9	-173.5	0	0	0	0	111.4	V157 L229 D257 N263 V265 I302 M304	V157-V259 HydrophobicContact CB-CG1 4.06Å; V157-V259 HydrophobicContact CG1-CG1 4.47Å; V157-V259 HydrophobicContact CG2-CG1 3.63Å; L229-V259 HydrophobicContact CD1-CB 4.31Å; D257-V259 VanDerWaalsContact C-N 3.35Å; V259-N263 HydrophobicContact CG1-CB 4.22Å; V259-V265 HydrophobicContact CG1-CG1 3.7Å; V259-V265 HydrophobicContact CG2-CG1 4.06Å; V259-I302 HydrophobicContact CG2-CD1 4.11Å; V259-I302 HydrophobicContact CG2-CG2 3.65Å; V259-M304 HydrophobicContact CG2-CG 4.47Å
260	V	80.3	Confident	86.3	Confident	89 Å²	89	32.8 Å²	32.8	54%	0.539	17%	0.165	S	C	.	.			trans	-91	140.3	171.5	-177.2	0	0	0	0	109.2	N263	V260-N263 WeakPolarHBondContact O-CB 3.27Å; V260-N263 PolarHBondContact O-N 3.01Å
261	P	78.8	Confident	86.2	Confident	61 Å²	61	34.1 Å²	34.1	40%	0.396	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	141.7	172.8	24.2	-35.2	0	0	0	111.8	V157 I158	V157-P261 CarbonylContact O-C 3.59Å; V157-P261 WeakPolarHBondContact O-CA 3.27Å; I158-P261 VanDerWaalsContact O-CB 3.25Å; I158-P261 WeakPolarHBondContact O-CB 3.47Å
262	G	71.6	Confident	86.1	Confident	19 Å²	19	35 Å²	35	20%	0.196	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	-12.1	-173.6	0	0	0	0	0	114.4	V157	V157-G262 PolarHBondContact O-N 2.81Å
263	N	78.1	Confident	86	Confident	25 Å²	25	37.1 Å²	37.1	13%	0.134	19%	0.187	C	C	.	.			trans	-77.1	142	175.9	-73.9	-5.4	0	0	0	111.8	I156 V157 V259 V260 V265 R311	I156-N263 WeakPolarHBondContact CA-O 3.3Å; V157-N263 PolarHBondContact N-O 2.81Å; V259-N263 HydrophobicContact CG1-CB 4.22Å; V260-N263 WeakPolarHBondContact O-CB 3.27Å; V260-N263 PolarHBondContact O-N 3.01Å; N263-V265 HydrophobicContact CB-CG1 4.42Å; N263-R311 WeakPolarHBondContact OD1-CD 3.34Å; N263-R311 PolarHBondContact OD1-NH1 2.86Å
264	R	79.6	Confident	85.6	Confident	81 Å²	81	35.9 Å²	35.9	31%	0.306	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.6	164.8	-68	173.9	-171.9	-155.9	0.7	108.6	G155 I156 D305	G155-R264 WeakPolarHBondContact O-CA 3.37Å; I156-R264 HydrophobicContact CD1-CG 4.43Å; I156-R264 HydrophobicContact CG1-CG 3.79Å; R264-D305 HydrophobicContact CB-CB 4.41Å; R264-D305 PolarHBondContact O-N 3.26Å
265	V	87.1	Confident	84.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.7	-177.5	-64.8	0	0	0	0	109.9	G155 V157 L231 V259 N263 I267 I302 M304	G155-V265 PolarHBondContact N-O 2.87Å; G155-V265 PolarHBondContact O-N 3.02Å; G155-V265 VanDerWaalsContact O-O 3.11Å; V157-V265 HydrophobicContact CG2-CG1 4.36Å; V157-V265 HydrophobicContact CG2-CG2 3.56Å; L231-V265 HydrophobicContact CD1-CG2 3.58Å; V259-V265 HydrophobicContact CG1-CG1 3.7Å; V259-V265 HydrophobicContact CG2-CG1 4.06Å; N263-V265 HydrophobicContact CB-CG1 4.42Å; V265-I267 HydrophobicContact CB-CG1 4.19Å; V265-I267 HydrophobicContact CG2-CD1 3.69Å; V265-I267 HydrophobicContact CG2-CG1 3.77Å; V265-I302 HydrophobicContact CB-CG2 4.45Å; V265-I302 HydrophobicContact CG1-CG2 4.39Å; V265-M304 HydrophobicContact CG1-CG 4.28Å
266	T	89.2	Confident	83.3	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.4	169.7	-62.8	0	0	0	0	107	K152 H154 Q303	K152-T266 HydrophobicContact CD-CG2 4.09Å; K152-T266 HydrophobicContact CG-CG2 3.81Å; H154-T266 PolarHBondContact ND1-OG1 2.9Å; T266-Q303 PolarHBondContact N-O 3.49Å; T266-Q303 PolarHBondContact O-N 3.41Å; T266-Q303 VanDerWaalsContact O-O 3.06Å
267	I	91.3	Very high	81.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.3	-169.7	-61.3	-176.4	0	0	0	108.5	K152 V153 L231 L249 V265 L297 V299	K152-I267 CarbonylContact C-O 3.18Å; K152-I267 WeakPolarHBondContact CA-O 3.4Å; V153-I267 PolarHBondContact N-O 2.77Å; V153-I267 PolarHBondContact O-N 2.82Å; L231-I267 HydrophobicContact CD1-CD1 3.92Å; L231-I267 HydrophobicContact CD2-CD1 4.18Å; L249-I267 HydrophobicContact CD1-CD1 3.15Å; L249-I267 HydrophobicContact CD2-CD1 3.86Å; L249-I267 HydrophobicContact CD2-CG2 4.46Å; L249-I267 HydrophobicContact CG-CD1 4.1Å; V265-I267 HydrophobicContact CB-CG1 4.19Å; V265-I267 HydrophobicContact CG2-CD1 3.69Å; V265-I267 HydrophobicContact CG2-CG1 3.77Å; I267-L297 HydrophobicContact CB-CD2 4.44Å; I267-L297 HydrophobicContact CG2-CD2 3.76Å; I267-V299 HydrophobicContact CG2-CB 4.25Å; I267-V299 HydrophobicContact CG2-CG1 3.68Å; I267-V299 HydrophobicContact CG2-CG2 3.74Å
268	M	91.3	Very high	79.6	Confident	9 Å²	9	44.7 Å²	44.7	4%	0.044	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122	165.4	-176.9	169.3	-82.4	0	0	108.7	M76 L130 L150 V300 G301	M76-M268 HydrophobicContact CG-CE 4.19Å; M76-M268 HydrophobicContact CG-SD 4.28Å; L130-M268 HydrophobicContact CB-CG 4.44Å; L130-M268 HydrophobicContact CB-SD 3.41Å; L130-M268 WeakPolarHBondContact CB-SD 3.41Å; L130-M268 HydrophobicContact CD1-SD 4.31Å; L150-M268 HydrophobicContact CD1-CG 3.78Å; L150-M268 HydrophobicContact CD1-SD 4.32Å; L150-M268 HydrophobicContact CD2-CE 4.31Å; L150-M268 HydrophobicContact CD2-CG 4.18Å; L150-M268 HydrophobicContact CD2-SD 3.74Å; L150-M268 HydrophobicContact CG-CG 3.93Å; L150-M268 HydrophobicContact CG-SD 4.17Å; M268-V300 PolarHBondContact O-N 2.93Å; M268-G301 PolarHBondContact N-O 3.46Å; M268-G301 PolarHBondContact O-N 3.21Å; M268-G301 VanDerWaalsContact O-O 3.14Å
269	G	91.6	Very high	77.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167.3	-176.4	0	0	0	0	0	113.8	V151 R298	V151-G269 WeakPolarHBondContact CG2-O 3.33Å; V151-G269 PolarHBondContact N-O 3.44Å; V151-G269 PolarHBondContact O-N 2.96Å; V151-G269 VanDerWaalsContact O-O 3.12Å; G269-R298 CarbonylContact C-O 3.56Å; G269-R298 WeakPolarHBondContact CA-O 3.36Å
270	I	91.5	Very high	75.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.3	177.7	-52.6	169.8	0	0	0	107.8	P94 T95 L98 R149 L150 S272 R298 V300	P94-I270 HydrophobicContact CB-CD1 3.73Å; P94-I270 HydrophobicContact CB-CG1 3.92Å; P94-I270 HydrophobicContact CG-CB 4.49Å; P94-I270 HydrophobicContact CG-CD1 3.84Å; P94-I270 HydrophobicContact CG-CG1 3.74Å; P94-I270 HydrophobicContact CG-CG2 4.01Å; T95-I270 HydrophobicContact CG2-CD1 4.04Å; T95-I270 HydrophobicContact CG2-CG2 4.21Å; L98-I270 HydrophobicContact CD1-CD1 3.85Å; R149-I270 WeakPolarHBondContact O-CA 3.38Å; L150-I270 HydrophobicContact CD1-CG1 4.28Å; I270-S272 PolarHBondContact O-N 3.17Å; I270-S272 PolarHBondContact O-OG 2.78Å; I270-R298 HydrophobicContact CB-CB 4.48Å; I270-R298 PolarHBondContact N-O 3.12Å; I270-R298 PolarHBondContact O-N 3.24Å; I270-V300 HydrophobicContact CD1-CG2 4.04Å; I270-V300 HydrophobicContact CG1-CG2 3.92Å
271	Y	91.4	Very high	74.2	Confident	28 Å²	28	60.8 Å²	60.8	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	110.8	178.7	-173.9	-118.6	0	0	0	109.6	L142 V147 S148 R149 M247 S295	L142-Y271 HydrophobicContact CD1-CD2 4.4Å; L142-Y271 HydrophobicContact CD1-CE2 4.36Å; V147-Y271 HydrophobicContact CB-CD1 4.42Å; V147-Y271 HydrophobicContact CG2-CD1 3.72Å; V147-Y271 HydrophobicContact CG2-CE1 3.74Å; S148-Y271 PolarHBondContact N-O 3.1Å; R149-Y271 PolarHBondContact O-N 3.43Å; M247-Y271 HydrophobicContact SD-CD2 4.14Å; M247-Y271 HydrophobicContact SD-CE2 3.85Å; Y271-S295 VanDerWaalsContact CZ-CB 3.46Å; Y271-S295 WeakPolarHBondContact OH-CB 3.33Å; Y271-S295 PolarHBondContact OH-OG 3Å
272	S	88.1	Confident	72.3	Confident	18 Å²	18	62.5 Å²	62.5	13%	0.126	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.7	-170.9	-66.3	0	0	0	0	111.9	I270 S295 Y296	I270-S272 PolarHBondContact O-N 3.17Å; I270-S272 PolarHBondContact O-OG 2.78Å; S272-S295 CarbonylContact O-C 3.51Å; S272-S295 WeakPolarHBondContact O-CA 3.23Å; S272-Y296 CarbonylContact C-O 3.54Å; S272-Y296 PolarHBondContact N-O 3.26Å; S272-Y296 WeakPolarHBondContact O-CD1 3.48Å; S272-Y296 PolarHBondContact O-N 2.96Å
273	I	87.4	Confident	71.1	Confident	61 Å²	61	66.5 Å²	66.5	31%	0.313	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.5	175.7	55	172.1	0	0	0	110.6	K275	I273-K275 PolarHBondContact O-N 2.82Å
274	K	79.6	Confident	69.4	Low	42 Å²	42	75.6 Å²	75.6	18%	0.183	41%	0.406	C	S	.	.			trans	-73.2	124.4	171.3	-63.2	-168.7	-169.4	179.4	0	108.8	L190 V276 S294 Y296	L190-K274 HydrophobicContact CD1-CD 4.28Å; K274-V276 PolarHBondContact O-N 3.47Å; K274-V276 VanDerWaalsContact O-N 3.11Å; K274-S294 PolarHBondContact N-O 3.31Å; K274-Y296 HydrophobicContact CB-CD1 4.37Å; K274-Y296 HydrophobicContact CB-CE1 4.44Å; K274-Y296 HydrophobicContact CD-CD1 4.36Å; K274-Y296 HydrophobicContact CG-CD1 3.31Å; K274-Y296 HydrophobicContact CG-CE1 3.67Å; K274-Y296 HydrophobicContact CG-CG 4.17Å
275	K	68.7	Low	67.6	Low	114 Å²	114	79.8 Å²	79.8	50%	0.496	43%	0.428	S	S	.	.			trans	-79.6	90.3	167.1	-65.7	-178.1	-172.1	165.6	0	107.7	Q191 I273 A277	Q191-K275 HydrophobicContact CG-CB 4.49Å; Q191-K275 HydrophobicContact CG-CD 4.21Å; I273-K275 PolarHBondContact O-N 2.82Å; K275-A277 PolarHBondContact O-N 2.79Å
276	V	59.4	Low	65.4	Low	106 Å²	106	89.7 Å²	89.7	64%	0.642	47%	0.471	S	S	*	.			trans	-71.3	116.1	167.7	-178.5	0	0	0	0	106.4	K274 A278	K274-V276 PolarHBondContact O-N 3.47Å; K274-V276 VanDerWaalsContact O-N 3.11Å; V276-A278 PolarHBondContact O-N 3.22Å
277	A	50.8	Low	63.2	Low	88 Å²	88	93.2 Å²	93.2	73%	0.727	51%	0.51	S	S	*	.			trans	-56.7	139.4	168.4	0	0	0	0	0	108.3	K275	K275-A277 PolarHBondContact O-N 2.79Å
278	A	48.1	Very low	61.2	Low	87 Å²	87	98.4 Å²	98.4	72%	0.719	54%	0.541	S	S	*	.			trans	-37	141.4	-175	0	0	0	0	0	113.1	V276 K280	V276-A278 PolarHBondContact O-N 3.22Å; A278-K280 PolarHBondContact O-N 3.29Å; A278-K280 VanDerWaalsContact O-N 3.15Å
279	P	43.8	Very low	59.3	Low	118 Å²	118	100.1 Å²	100.1	77%	0.766	56%	0.561	S	S	*	*			trans	-52.2	126.8	-175.9	21.6	-32.5	0	0	0	109.9	K281	P279-K281 PolarHBondContact O-N 3.26Å
280	K	44.8	Very low	57.8	Low	184 Å²	184	108.2 Å²	108.2	80%	0.8	61%	0.61	S	S	*	*			trans	-52.4	129.9	163.3	-72.5	-177.4	177	-179.3	0	106.4	A278 S282	A278-K280 PolarHBondContact O-N 3.29Å; A278-K280 VanDerWaalsContact O-N 3.15Å; K280-S282 PolarHBondContact O-N 3.11Å
281	K	46.6	Very low	56.5	Low	225 Å²	225	111.1 Å²	111.1	98%	0.978	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	5.5	-174.8	-92.4	-177.7	173.1	-179.5	0	116.6	P279	P279-K281 PolarHBondContact O-N 3.26Å
282	S	39.4	Very low	55.8	Low	97 Å²	97	115.9 Å²	115.9	68%	0.678	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-3.7	-166.9	61.3	0	0	0	0	116.2	K280	K280-S282 PolarHBondContact O-N 3.11Å
283	V	45.1	Very low	55.3	Low	103 Å²	103	122 Å²	122	62%	0.624	69%	0.687	S	S	*	*			trans	-124.1	89.5	178.9	-169.3	0	0	0	0	110.6	E285	V283-E285 HydrophobicContact CG1-CB 4.09Å; V283-E285 HydrophobicContact CG1-CG 4.1Å; V283-E285 PolarHBondContact O-N 3.03Å
284	K	41.6	Very low	55.1	Low	217 Å²	217	121.9 Å²	121.9	94%	0.943	69%	0.691	S	S	*	*			trans	-67.3	79.3	156.7	-86.9	-179	170.6	177.8	0	107.9
285	E	42.2	Very low	55.5	Low	168 Å²	168	122 Å²	122	79%	0.785	70%	0.697	S	S	*	*			trans	-112.8	137.3	156.5	-86.2	-171.2	150.5	0	0	109.9	V283	V283-E285 HydrophobicContact CG1-CB 4.09Å; V283-E285 HydrophobicContact CG1-CG 4.1Å; V283-E285 PolarHBondContact O-N 3.03Å
286	K	41.8	Very low	56.6	Low	208 Å²	208	117.1 Å²	117.1	90%	0.904	68%	0.676	S	S	*	*			trans	-61	132.8	-161.6	-69.5	166.1	170.8	174.9	0	112.1	V288	K286-V288 PolarHBondContact O-N 2.84Å
287	G	41.9	Very low	58.1	Low	83 Å²	83	112.1 Å²	112.1	86%	0.856	65%	0.645	S	S	*	*			trans	75.4	32.4	136.1	0	0	0	0	0	118.8
288	V	50.8	Low	60	Low	110 Å²	110	109.7 Å²	109.7	67%	0.667	62%	0.617	S	S	*	*			trans	-104.6	113	165.2	-172.4	0	0	0	0	108	K286 I292	K286-V288 PolarHBondContact O-N 2.84Å; V288-I292 HydrophobicContact CG1-CB 3.89Å; V288-I292 HydrophobicContact CG1-CD1 3.63Å; V288-I292 HydrophobicContact CG1-CG1 4.28Å; V288-I292 HydrophobicContact CG1-CG2 4.17Å
289	G	51.6	Low	62.2	Low	45 Å²	45	105.7 Å²	105.7	46%	0.464	58%	0.584	S	S	.	*			trans	-52.6	153.8	-170.1	0	0	0	0	0	114.9	G291 I292	G289-G291 PolarHBondContact O-N 3.12Å; G289-I292 PolarHBondContact O-N 2.86Å; G289-I292 VanDerWaalsContact O-N 3.17Å
290	V	58.2	Low	64.4	Low	170 Å²	170	100.5 Å²	100.5	100%	1.03	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-6.1	-171.3	179.6	0	0	0	0	115.2
291	G	65.9	Low	66.6	Low	61 Å²	61	91.9 Å²	91.9	63%	0.629	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	2.5	-177.8	0	0	0	0	0	116.8	G289 R293	G289-G291 PolarHBondContact O-N 3.12Å; G291-R293 PolarHBondContact O-N 2.93Å
292	I	75.9	Confident	68.6	Low	129 Å²	129	82.2 Å²	82.2	66%	0.662	47%	0.472	S	S	*	.			trans	-78.4	116.8	-175.8	-59.8	171.3	0	0	0	109.8	V288 G289	V288-I292 HydrophobicContact CG1-CB 3.89Å; V288-I292 HydrophobicContact CG1-CD1 3.63Å; V288-I292 HydrophobicContact CG1-CG1 4.28Å; V288-I292 HydrophobicContact CG1-CG2 4.17Å; G289-I292 PolarHBondContact O-N 2.86Å; G289-I292 VanDerWaalsContact O-N 3.17Å
293	R	78.1	Confident	70.9	Confident	147 Å²	147	79.7 Å²	79.7	56%	0.555	45%	0.449	S	S	*	.			trans	-117.9	145.4	177.9	-64.9	177.9	-178.4	161.4	2.8	110	G291	G291-R293 PolarHBondContact O-N 2.93Å
294	S	82.6	Confident	72.5	Confident	57 Å²	57	79.1 Å²	79.1	40%	0.399	44%	0.441	S	S	.	.			trans	-77	135	173.7	47.4	0	0	0	0	110.5	K274	K274-S294 PolarHBondContact N-O 3.31Å
295	S	88.2	Confident	73.5	Confident	44 Å²	44	70.5 Å²	70.5	31%	0.308	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	156.3	172.1	56	0	0	0	0	111.6	Y271 S272	Y271-S295 VanDerWaalsContact CZ-CB 3.46Å; Y271-S295 WeakPolarHBondContact OH-CB 3.33Å; Y271-S295 PolarHBondContact OH-OG 3Å; S272-S295 CarbonylContact O-C 3.51Å; S272-S295 WeakPolarHBondContact O-CA 3.23Å
296	Y	91.6	Very high	74	Confident	13 Å²	13	65.7 Å²	65.7	5%	0.051	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153.8	170.7	72.1	-75.6	0	0	0	109.1	L190 Q248 Y250 S272 K274 R298	L190-Y296 HydrophobicContact CB-CE1 4.5Å; L190-Y296 HydrophobicContact CB-CE2 4.41Å; L190-Y296 HydrophobicContact CD1-CD2 3.98Å; L190-Y296 HydrophobicContact CD1-CE2 4.15Å; L190-Y296 HydrophobicContact CD1-CG 4.23Å; L190-Y296 HydrophobicContact CG-CE2 4.36Å; L190-Y296 PolarHBondContact N-OH 3.5Å; L190-Y296 VanDerWaalsContact N-OH 3.14Å; Q248-Y296 WeakPolarHBondContact O-CA 3Å; Q248-Y296 WeakPolarHBondContact O-CB 3.5Å; Y250-Y296 HydrophobicContact CG-CE2 4.36Å; S272-Y296 CarbonylContact C-O 3.54Å; S272-Y296 PolarHBondContact N-O 3.26Å; S272-Y296 WeakPolarHBondContact O-CD1 3.48Å; S272-Y296 PolarHBondContact O-N 2.96Å; K274-Y296 HydrophobicContact CB-CD1 4.37Å; K274-Y296 HydrophobicContact CB-CE1 4.44Å; K274-Y296 HydrophobicContact CD-CD1 4.36Å; K274-Y296 HydrophobicContact CG-CD1 3.31Å; K274-Y296 HydrophobicContact CG-CE1 3.67Å; K274-Y296 HydrophobicContact CG-CG 4.17Å; Y296-R298 HydrophobicContact CE2-CB 4.3Å
297	L	91.2	Very high	74	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.4	175.5	-170.7	67	0	0	0	108.8	V151 V153 M247 Q248 L249 Y250 I267	V151-L297 HydrophobicContact CG2-CD1 3.56Å; V153-L297 HydrophobicContact CB-CD2 4.48Å; V153-L297 HydrophobicContact CG2-CD2 4.3Å; M247-L297 HydrophobicContact CE-CB 3.74Å; M247-L297 HydrophobicContact CE-CD2 3.81Å; M247-L297 HydrophobicContact CE-CG 4.28Å; M247-L297 HydrophobicContact SD-CB 4.16Å; Q248-L297 PolarHBondContact O-N 3.43Å; L249-L297 CarbonylContact C-O 3.52Å; L249-L297 WeakPolarHBondContact CA-O 3.39Å; L249-L297 HydrophobicContact CD2-CB 3.76Å; L249-L297 HydrophobicContact CD2-CD2 3.73Å; L249-L297 HydrophobicContact CD2-CG 4.22Å; Y250-L297 PolarHBondContact N-O 3.19Å; I267-L297 HydrophobicContact CB-CD2 4.44Å; I267-L297 HydrophobicContact CG2-CD2 3.76Å
298	R	91.6	Very high	73.7	Confident	37 Å²	37	59.5 Å²	59.5	14%	0.14	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.5	168.7	172.5	169.5	-174.9	-138.4	-6	108.1	P188 Y250 D252 G269 I270 Y296	P188-R298 VanDerWaalsContact CB-NH2 3.33Å; P188-R298 VanDerWaalsContact CG-NH1 3.33Å; Y250-R298 HydrophobicContact CD1-CB 4.47Å; Y250-R298 HydrophobicContact CD1-CG 4.08Å; D252-R298 IonicContact OD2-NE 3.62Å; D252-R298 IonicContact OD2-NH2 3.29Å; G269-R298 CarbonylContact C-O 3.56Å; G269-R298 WeakPolarHBondContact CA-O 3.36Å; I270-R298 HydrophobicContact CB-CB 4.48Å; I270-R298 PolarHBondContact N-O 3.12Å; I270-R298 PolarHBondContact O-N 3.24Å; Y296-R298 HydrophobicContact CE2-CB 4.3Å
299	V	92.8	Very high	73.3	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.4	-175.3	-173.8	0	0	0	0	110.1	L249 Y250 L255 I267 I302	L249-V299 HydrophobicContact CB-CG2 3.92Å; L249-V299 HydrophobicContact CD2-CG2 4.26Å; Y250-V299 WeakPolarHBondContact O-CB 3.36Å; Y250-V299 PolarHBondContact O-N 3.16Å; L255-V299 HydrophobicContact CD1-CB 4.39Å; L255-V299 HydrophobicContact CD1-CG1 4.09Å; I267-V299 HydrophobicContact CG2-CB 4.25Å; I267-V299 HydrophobicContact CG2-CG1 3.68Å; I267-V299 HydrophobicContact CG2-CG2 3.74Å; V299-I302 HydrophobicContact CG1-CD1 3.9Å; V299-I302 HydrophobicContact CG1-CG1 3.32Å
300	V	90.6	Very high	72.8	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-37.1	176.5	-177.7	0	0	0	0	109.8	L98 M129 L130 M268 I270	L98-V300 HydrophobicContact CD1-CB 4.46Å; L98-V300 HydrophobicContact CD1-CG1 3.84Å; L98-V300 HydrophobicContact CD1-CG2 3.71Å; L98-V300 HydrophobicContact CD2-CG1 3.98Å; M129-V300 WeakPolarHBondContact CA-O 3.41Å; L130-V300 HydrophobicContact CB-CG1 4.12Å; L130-V300 HydrophobicContact CD1-CG1 3.89Å; L130-V300 HydrophobicContact CG-CG1 3.75Å; M268-V300 PolarHBondContact O-N 2.93Å; I270-V300 HydrophobicContact CD1-CG2 4.04Å; I270-V300 HydrophobicContact CG1-CG2 3.92Å
301	G	90.6	Very high	71.8	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.6	173.1	0	0	0	0	0	111.2	L130 M268	L130-G301 WeakPolarHBondContact O-CA 3.5Å; M268-G301 PolarHBondContact N-O 3.46Å; M268-G301 PolarHBondContact O-N 3.21Å; M268-G301 VanDerWaalsContact O-O 3.14Å
302	I	89.6	Confident	70.5	Confident	22 Å²	22	52 Å²	52	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.2	170.8	-60.8	174.4	0	0	0	107	L255 V259 V265 V299	L255-I302 HydrophobicContact CB-CD1 4.24Å; L255-I302 HydrophobicContact CD2-CB 4.32Å; L255-I302 HydrophobicContact CD2-CD1 4.13Å; L255-I302 HydrophobicContact CD2-CG1 4.03Å; V259-I302 HydrophobicContact CG2-CD1 4.11Å; V259-I302 HydrophobicContact CG2-CG2 3.65Å; V265-I302 HydrophobicContact CB-CG2 4.45Å; V265-I302 HydrophobicContact CG1-CG2 4.39Å; V299-I302 HydrophobicContact CG1-CD1 3.9Å; V299-I302 HydrophobicContact CG1-CG1 3.32Å
303	Q	86.4	Confident	68.5	Low	44 Å²	44	48.6 Å²	48.6	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117	162.7	-70.9	170.4	-34.6	0	0	106.5	K131 T266 D305	K131-Q303 HydrophobicContact CD-CG 4.34Å; K131-Q303 HydrophobicContact CG-CG 4.07Å; T266-Q303 PolarHBondContact N-O 3.49Å; T266-Q303 PolarHBondContact O-N 3.41Å; T266-Q303 VanDerWaalsContact O-O 3.06Å; Q303-D305 PolarHBondContact O-N 3.06Å
304	M	79.6	Confident	66.7	Low	92 Å²	92	46.5 Å²	46.5	45%	0.453	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.2	164.4	-68.6	-173.7	-69.4	0	0	106.4	R258 V259 V265 T306	R258-M304 VanDerWaalsContact O-SD 3.38Å; V259-M304 HydrophobicContact CG2-CG 4.47Å; V265-M304 HydrophobicContact CG1-CG 4.28Å; M304-T306 PolarHBondContact O-N 3.42Å; M304-T306 PolarHBondContact O-OG1 3.41Å
305	D	63.2	Low	64.8	Low	36 Å²	36	45.3 Å²	45.3	19%	0.193	28%	0.283	C	S	.	.			trans	-74.6	91	-180	-159.4	-7.5	0	0	0	107.3	H154 R264 Q303 E307 G308	H154-D305 IonicContact CE1-OD2 3.44Å; H154-D305 PolarHBondContact CE1-OD2 2.87Å; H154-D305 IonicContact ND1-OD2 2.93Å; R264-D305 HydrophobicContact CB-CB 4.41Å; R264-D305 PolarHBondContact O-N 3.26Å; Q303-D305 PolarHBondContact O-N 3.06Å; D305-E307 WeakPolarHBondContact OD1-CA 3.3Å; D305-E307 VanDerWaalsContact OD1-CB 3.31Å; D305-E307 WeakPolarHBondContact OD1-CB 3.46Å; D305-E307 PolarHBondContact OD1-N 2.89Å; D305-G308 PolarHBondContact OD1-N 2.94Å
306	T	52.7	Low	63	Low	66 Å²	66	48.3 Å²	48.3	41%	0.405	30%	0.304	S	S	.	.	S	Bend	trans	-81.8	-10.5	165.8	25.8	0	0	0	0	110.3	M304	M304-T306 PolarHBondContact O-N 3.42Å; M304-T306 PolarHBondContact O-OG1 3.41Å
307	E	40.7	Very low	61.4	Low	145 Å²	145	49.7 Å²	49.7	68%	0.678	31%	0.314	S	S	*	.	S	Bend	trans	-90.3	-19.7	-179.7	-61.3	-169.7	140	0	0	113.4	D305 A309	D305-E307 WeakPolarHBondContact OD1-CA 3.3Å; D305-E307 VanDerWaalsContact OD1-CB 3.31Å; D305-E307 WeakPolarHBondContact OD1-CB 3.46Å; D305-E307 PolarHBondContact OD1-N 2.89Å; E307-A309 PolarHBondContact O-N 3.3Å; E307-A309 VanDerWaalsContact O-N 3.17Å
308	G	37	Very low	60.6	Low	17 Å²	17	51.6 Å²	51.6	18%	0.175	33%	0.327	C	S	.	.	S	Bend	trans	-59.6	117.5	151.4	0	0	0	0	0	106.9	D305 G310	D305-G308 PolarHBondContact OD1-N 2.94Å; G308-G310 PolarHBondContact O-N 2.58Å
309	A	41.9	Very low	60.1	Low	45 Å²	45	55.1 Å²	55.1	37%	0.372	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	44	-170.8	0	0	0	0	0	115.8	E307 P402	E307-A309 PolarHBondContact O-N 3.3Å; E307-A309 VanDerWaalsContact O-N 3.17Å; A309-P402 CarbonylContact C-O 3.59Å; A309-P402 HydrophobicContact CB-CB 4.27Å; A309-P402 CarbonylContact O-C 3.48Å; A309-P402 WeakPolarHBondContact O-CA 3.48Å; A309-P402 WeakPolarHBondContact O-CB 3.47Å
310	G	40.1	Very low	59.7	Low	23 Å²	23	62.2 Å²	62.2	24%	0.237	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-160.3	0.2	-151.1	0	0	0	0	0	119.3	G308 I403	G308-G310 PolarHBondContact O-N 2.58Å; G310-I403 WeakPolarHBondContact O-CD1 3.26Å; G310-I403 VanDerWaalsContact O-CG1 3.26Å; G310-I403 WeakPolarHBondContact O-CG1 3.41Å
311	R	38.3	Very low	59.3	Low	87 Å²	87	64.7 Å²	64.7	33%	0.328	40%	0.399	S	S	.	.	S	Bend	trans	-143.5	125.9	152.8	-72.8	-163.7	172.4	-177.2	-5.2	108.1	N263 A313 V438	N263-R311 WeakPolarHBondContact OD1-CD 3.34Å; N263-R311 PolarHBondContact OD1-NH1 2.86Å; R311-A313 PolarHBondContact O-N 3.3Å; R311-V438 PolarHBondContact NH2-O 2.77Å
312	G	37.5	Very low	58.9	Low	74 Å²	74	66.4 Å²	66.4	76%	0.763	41%	0.406	S	S	*	.	S	Bend	trans	-59.7	117.7	-164	0	0	0	0	0	114.4
313	A	34.2	Very low	58.8	Low	57 Å²	57	70.7 Å²	70.7	47%	0.471	43%	0.426	S	S	.	.	S	Bend		-177.4	115.1	122.6	0	0	0	0	0	105.5	R311 G315	R311-A313 PolarHBondContact O-N 3.3Å; A313-G315 PolarHBondContact O-N 2.63Å
314	T	40.5	Very low	58.8	Low	103 Å²	103	74.4 Å²	74.4	63%	0.632	44%	0.443	S	S	*	.			trans	22.4	91.3	154.9	44.3	0	0	0	0	115.3	S316	T314-S316 PolarHBondContact O-N 3.47Å
315	G	42.6	Very low	59.1	Low	32 Å²	32	70.5 Å²	70.5	33%	0.33	42%	0.424	S	S	.	.			trans	-51	127.4	132.4	0	0	0	0	0	105.4	A313 V317	A313-G315 PolarHBondContact O-N 2.63Å; G315-V317 PolarHBondContact O-N 2.96Å
316	S	49.4	Very low	60.2	Low	107 Å²	107	74.4 Å²	74.4	75%	0.748	44%	0.436	S	S	*	.			trans	-54	89.4	-175.9	48.3	0	0	0	0	109.1	T314 S318	T314-S316 PolarHBondContact O-N 3.47Å; S316-S318 PolarHBondContact O-N 3.35Å
317	V	58.2	Low	61.8	Low	41 Å²	41	74.6 Å²	74.6	25%	0.248	44%	0.44	C	S	.	.			trans	-59.5	119.5	176.6	-175.6	0	0	0	0	103.9	G315 E321 E322 L325	G315-V317 PolarHBondContact O-N 2.96Å; V317-E321 HydrophobicContact CG1-CB 3.54Å; V317-E322 HydrophobicContact CB-CG 3.75Å; V317-E322 HydrophobicContact CG1-CB 4.32Å; V317-E322 HydrophobicContact CG1-CG 3.41Å; V317-E322 VanDerWaalsContact CG1-CG 3.41Å; V317-L325 HydrophobicContact CG1-CD1 4.43Å
318	S	74.6	Confident	63.9	Low	41 Å²	41	70.6 Å²	70.6	29%	0.287	42%	0.423	S	S	.	.			trans	-58.1	146.1	-179.8	69.7	0	0	0	0	107.7	S316 Q320 E321 E322	S316-S318 PolarHBondContact O-N 3.35Å; S318-Q320 PolarHBondContact O-N 3.33Å; S318-E321 PolarHBondContact N-OE2 3.47Å; S318-E321 PolarHBondContact O-N 3.04Å; S318-E321 WeakPolarHBondContact OG-CB 3.43Å; S318-E321 VanDerWaalsContact OG-CG 3.3Å; S318-E321 WeakPolarHBondContact OG-CG 3.42Å; S318-E321 PolarHBondContact OG-N 3.43Å; S318-E321 VanDerWaalsContact OG-N 3.11Å; S318-E322 PolarHBondContact O-N 3.15Å
319	P	81.4	Confident	66.2	Low	110 Å²	110	70.3 Å²	70.3	71%	0.714	42%	0.419	S	S	*	.	H	α-helix	trans	-56.3	-25	178	21.6	-32.5	0	0	0	112.1	E323	P319-E323 PolarHBondContact O-N 3.29Å
320	Q	84.4	Confident	68.3	Low	153 Å²	153	72.1 Å²	72.1	72%	0.715	43%	0.434	S	S	*	.	H	α-helix	trans	-70.4	-46.1	173.7	-63.3	179.9	-6.1	0	0	112.6	S318 E322 E323 Q324	S318-Q320 PolarHBondContact O-N 3.33Å; Q320-E322 VanDerWaalsContact C-N 3.35Å; Q320-E323 PolarHBondContact O-N 2.94Å; Q320-Q324 WeakPolarHBondContact O-CG 3.48Å; Q320-Q324 PolarHBondContact O-N 2.83Å; Q320-Q324 VanDerWaalsContact O-N 3.11Å
321	E	81.5	Confident	70.4	Confident	61 Å²	61	73.3 Å²	73.3	29%	0.285	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-39.7	175.3	-76.2	178.7	141.1	0	0	111.3	V317 S318 E323 Q324 L325 K564	V317-E321 HydrophobicContact CG1-CB 3.54Å; S318-E321 PolarHBondContact N-OE2 3.47Å; S318-E321 PolarHBondContact O-N 3.04Å; S318-E321 WeakPolarHBondContact OG-CB 3.43Å; S318-E321 VanDerWaalsContact OG-CG 3.3Å; S318-E321 WeakPolarHBondContact OG-CG 3.42Å; S318-E321 PolarHBondContact OG-N 3.43Å; S318-E321 VanDerWaalsContact OG-N 3.11Å; E321-E323 VanDerWaalsContact C-N 3.27Å; E321-E323 PolarHBondContact O-N 2.9Å; E321-Q324 WeakPolarHBondContact O-CB 3.37Å; E321-Q324 PolarHBondContact O-N 3.41Å; E321-L325 VanDerWaalsContact O-CG 3.29Å; E321-L325 WeakPolarHBondContact O-CG 3.46Å; E321-L325 PolarHBondContact O-N 2.82Å; E321-K564 IonicContact OE1-NZ 3.28Å; E321-K564 PolarHBondContact OE1-NZ 3.17Å
322	E	83.6	Confident	72.2	Confident	39 Å²	39	76.1 Å²	76.1	18%	0.182	47%	0.468	C	S	.	.	H	α-helix	trans	-59.6	-40.1	176.3	-68.8	-156.4	158.9	0	0	112	V317 S318 Q320 L325 R326 Y568 K572	V317-E322 HydrophobicContact CB-CG 3.75Å; V317-E322 HydrophobicContact CG1-CB 4.32Å; V317-E322 HydrophobicContact CG1-CG 3.41Å; V317-E322 VanDerWaalsContact CG1-CG 3.41Å; S318-E322 PolarHBondContact O-N 3.15Å; Q320-E322 VanDerWaalsContact C-N 3.35Å; E322-L325 PolarHBondContact O-N 3.02Å; E322-R326 WeakPolarHBondContact O-CG 3.44Å; E322-R326 PolarHBondContact O-N 2.83Å; E322-R326 IonicContact OE2-NH2 2.83Å; E322-Y568 HydrophobicContact CG-CE2 3.98Å; E322-K572 IonicContact OE1-NZ 3.72Å; E322-K572 PolarHBondContact OE1-NZ 3.08Å; E322-K572 IonicContact OE2-NZ 2.82Å; E322-K572 PolarHBondContact OE2-NZ 3.26Å
323	E	86.9	Confident	74.3	Confident	111 Å²	111	74.1 Å²	74.1	52%	0.519	45%	0.448	S	S	.	.	H	α-helix	trans	-67.1	-40.6	177.9	-169.5	58.3	-155.9	0	0	111.5	P319 Q320 E321 L325 R326 S327	P319-E323 PolarHBondContact O-N 3.29Å; Q320-E323 PolarHBondContact O-N 2.94Å; E321-E323 VanDerWaalsContact C-N 3.27Å; E321-E323 PolarHBondContact O-N 2.9Å; E323-L325 PolarHBondContact O-N 2.83Å; E323-R326 PolarHBondContact O-N 3.11Å; E323-S327 WeakPolarHBondContact O-CB 3.22Å; E323-S327 PolarHBondContact O-N 3.25Å
324	Q	85.8	Confident	76.7	Confident	122 Å²	122	71.9 Å²	71.9	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-58.9	-46.9	172.7	-70.2	176.3	-6.8	0	0	111.3	Q320 E321 R326 S327 L328	Q320-Q324 WeakPolarHBondContact O-CG 3.48Å; Q320-Q324 PolarHBondContact O-N 2.83Å; Q320-Q324 VanDerWaalsContact O-N 3.11Å; E321-Q324 WeakPolarHBondContact O-CB 3.37Å; E321-Q324 PolarHBondContact O-N 3.41Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 3.01Å; Q324-S327 PolarHBondContact O-N 3.33Å; Q324-S327 PolarHBondContact O-OG 3.5Å; Q324-L328 WeakPolarHBondContact O-CG 3.36Å; Q324-L328 PolarHBondContact O-N 3.11Å
325	L	86.3	Confident	78.9	Confident	10 Å²	10	68.9 Å²	68.9	5%	0.052	41%	0.405	C	S	.	.	H	α-helix	trans	-63.6	-37.1	178.5	-63.1	173.7	0	0	0	112.2	V317 E321 E322 E323 A329 T561 Y565 Y568	V317-L325 HydrophobicContact CG1-CD1 4.43Å; E321-L325 VanDerWaalsContact O-CG 3.29Å; E321-L325 WeakPolarHBondContact O-CG 3.46Å; E321-L325 PolarHBondContact O-N 2.82Å; E322-L325 PolarHBondContact O-N 3.02Å; E323-L325 PolarHBondContact O-N 2.83Å; L325-A329 PolarHBondContact O-N 3.43Å; L325-A329 VanDerWaalsContact O-N 3.1Å; L325-T561 HydrophobicContact CD2-CG2 4.22Å; L325-Y565 HydrophobicContact CB-CD2 4.01Å; L325-Y565 HydrophobicContact CB-CE2 4.39Å; L325-Y565 HydrophobicContact CD2-CD2 3.73Å; L325-Y565 HydrophobicContact CD2-CG 4.29Å; L325-Y565 HydrophobicContact CG-CD2 4.34Å; L325-Y565 WeakPolarHBondContact O-CE2 3.13Å; L325-Y568 HydrophobicContact CB-CD1 4.47Å; L325-Y568 HydrophobicContact CD1-CD1 4.27Å; L325-Y568 HydrophobicContact CD1-CD2 4.21Å; L325-Y568 HydrophobicContact CD1-CG 3.93Å
326	R	86.5	Confident	81	Confident	119 Å²	119	70.8 Å²	70.8	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-68.1	-41.3	173.9	-74.8	-179.7	-169.2	165.4	9.5	112.5	E322 E323 Q324 L328 A329 A330	E322-R326 WeakPolarHBondContact O-CG 3.44Å; E322-R326 PolarHBondContact O-N 2.83Å; E322-R326 IonicContact OE2-NH2 2.83Å; E323-R326 PolarHBondContact O-N 3.11Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 3.01Å; R326-L328 VanDerWaalsContact C-N 3.29Å; R326-L328 PolarHBondContact O-N 2.69Å; R326-A329 WeakPolarHBondContact O-CB 3.13Å; R326-A329 PolarHBondContact O-N 3.01Å; R326-A330 PolarHBondContact O-N 2.91Å
327	S	86.6	Confident	82.8	Confident	69 Å²	69	66.6 Å²	66.6	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-62.5	-38.9	177.9	74.8	0	0	0	0	111.6	E323 Q324 A330	E323-S327 WeakPolarHBondContact O-CB 3.22Å; E323-S327 PolarHBondContact O-N 3.25Å; Q324-S327 PolarHBondContact O-N 3.33Å; Q324-S327 PolarHBondContact O-OG 3.5Å; S327-A330 PolarHBondContact O-N 3.07Å
328	L	84.7	Confident	84.1	Confident	61 Å²	61	64.8 Å²	64.8	32%	0.319	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-46.5	172.6	-71.3	171.4	0	0	0	111	Q324 R326 A330 S331 I334 T561	Q324-L328 WeakPolarHBondContact O-CG 3.36Å; Q324-L328 PolarHBondContact O-N 3.11Å; R326-L328 VanDerWaalsContact C-N 3.29Å; R326-L328 PolarHBondContact O-N 2.69Å; L328-A330 VanDerWaalsContact C-N 3.26Å; L328-A330 PolarHBondContact O-N 2.99Å; L328-S331 WeakPolarHBondContact O-CB 3.47Å; L328-S331 PolarHBondContact O-N 3.17Å; L328-S331 VanDerWaalsContact O-N 3.1Å; L328-S331 PolarHBondContact O-OG 3.36Å; L328-I334 WeakPolarHBondContact O-CD1 3.39Å; L328-T561 HydrophobicContact CD1-CG2 4.36Å
329	A	85.5	Confident	84.7	Confident	11 Å²	11	63.1 Å²	63.1	9%	0.091	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-32.4	178.6	0	0	0	0	0	114	L325 R326 S331 Y565 L631	L325-A329 PolarHBondContact O-N 3.43Å; L325-A329 VanDerWaalsContact O-N 3.1Å; R326-A329 WeakPolarHBondContact O-CB 3.13Å; R326-A329 PolarHBondContact O-N 3.01Å; A329-S331 VanDerWaalsContact C-N 3.27Å; A329-S331 PolarHBondContact O-N 3.43Å; A329-Y565 HydrophobicContact CB-CE2 4.33Å; A329-Y565 VanDerWaalsContact CB-OH 3.25Å; A329-Y565 WeakPolarHBondContact CB-OH 3.38Å; A329-L631 HydrophobicContact CB-CB 4.26Å; A329-L631 HydrophobicContact CB-CD1 3.46Å; A329-L631 VanDerWaalsContact CB-CD1 3.46Å; A329-L631 HydrophobicContact CB-CG 3.76Å
330	A	85.2	Confident	84.9	Confident	84 Å²	84	60.7 Å²	60.7	69%	0.694	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.3	178.6	0	0	0	0	0	113.5	R326 S327 L328	R326-A330 PolarHBondContact O-N 2.91Å; S327-A330 PolarHBondContact O-N 3.07Å; L328-A330 VanDerWaalsContact C-N 3.26Å; L328-A330 PolarHBondContact O-N 2.99Å
331	S	84.7	Confident	84.8	Confident	48 Å²	48	53.9 Å²	53.9	34%	0.336	32%	0.317	S	S	.	.	S	Bend	trans	-68.4	130.6	-179	70	0	0	0	0	111.5	L328 A329 G333 I334	L328-S331 WeakPolarHBondContact O-CB 3.47Å; L328-S331 PolarHBondContact O-N 3.17Å; L328-S331 VanDerWaalsContact O-N 3.1Å; L328-S331 PolarHBondContact O-OG 3.36Å; A329-S331 VanDerWaalsContact C-N 3.27Å; A329-S331 PolarHBondContact O-N 3.43Å; S331-G333 PolarHBondContact O-N 2.89Å; S331-I334 PolarHBondContact O-N 2.68Å
332	P	76.8	Confident	84.9	Confident	146 Å²	146	51 Å²	51	95%	0.948	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.6	-172.8	26.4	-33.8	0	0	0	114.6
333	G	80.6	Confident	84.7	Confident	32 Å²	32	49.1 Å²	49.1	33%	0.33	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	13.3	178.3	0	0	0	0	0	114.6	S331 Y335 S336 S337	S331-G333 PolarHBondContact O-N 2.89Å; G333-Y335 PolarHBondContact O-N 3.02Å; G333-S336 PolarHBondContact O-N 3.15Å; G333-S336 PolarHBondContact O-OG 3.16Å; G333-S337 WeakPolarHBondContact O-CB 3.16Å; G333-S337 PolarHBondContact O-N 3.15Å
334	I	86.1	Confident	84.4	Confident	9 Å²	9	45.6 Å²	45.6	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-38.9	-173.6	-173.1	167.4	0	0	0	112.5	L328 S331 S336 S337 L338 Y565 K630	L328-I334 WeakPolarHBondContact O-CD1 3.39Å; S331-I334 PolarHBondContact O-N 2.68Å; I334-S336 PolarHBondContact O-N 3.2Å; I334-S337 PolarHBondContact O-N 3.08Å; I334-L338 HydrophobicContact CD1-CD1 4.01Å; I334-L338 HydrophobicContact CD1-CG 4.42Å; I334-L338 HydrophobicContact CG1-CD1 3.58Å; I334-L338 HydrophobicContact CG1-CD2 4.38Å; I334-L338 HydrophobicContact CG1-CG 3.71Å; I334-L338 WeakPolarHBondContact O-CB 3.38Å; I334-L338 WeakPolarHBondContact O-CG 3.31Å; I334-L338 PolarHBondContact O-N 3.08Å; I334-Y565 HydrophobicContact CD1-CE1 3.87Å; I334-Y565 WeakPolarHBondContact CD1-OH 3.43Å; I334-K630 HydrophobicContact CG2-CG 4.43Å
335	Y	86.6	Confident	84.1	Confident	40 Å²	40	42.5 Å²	42.5	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-45.8	-177.4	178.5	-120.8	0	0	0	113.1	G333 A339 K354 L626 M629 E642	G333-Y335 PolarHBondContact O-N 3.02Å; Y335-A339 WeakPolarHBondContact O-CB 3.24Å; Y335-A339 PolarHBondContact O-N 3.39Å; Y335-A339 VanDerWaalsContact O-N 3.14Å; Y335-K354 HydrophobicContact CE1-CD 3.7Å; Y335-K354 HydrophobicContact CE1-CG 3.91Å; Y335-K354 HydrophobicContact CE2-CB 4.44Å; Y335-K354 HydrophobicContact CE2-CG 4.28Å; Y335-K354 VanDerWaalsContact OH-CB 3.29Å; Y335-K354 WeakPolarHBondContact OH-CB 3.13Å; Y335-K354 WeakPolarHBondContact OH-CD 3.22Å; Y335-K354 WeakPolarHBondContact OH-CG 3.29Å; Y335-L626 HydrophobicContact CD2-CD2 3.8Å; Y335-L626 HydrophobicContact CE2-CD2 3.26Å; Y335-M629 HydrophobicContact CD2-SD 3.78Å; Y335-M629 HydrophobicContact CE2-SD 4.14Å; Y335-E642 HydrophobicContact CE1-CG 4.1Å
336	S	86.1	Confident	84	Confident	72 Å²	72	43 Å²	43	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-71.2	-37.6	176.8	45.3	0	0	0	0	112.2	G333 I334 A339 S340	G333-S336 PolarHBondContact O-N 3.15Å; G333-S336 PolarHBondContact O-OG 3.16Å; I334-S336 PolarHBondContact O-N 3.2Å; S336-A339 PolarHBondContact O-N 3.12Å; S336-S340 WeakPolarHBondContact O-CB 3.23Å; S336-S340 PolarHBondContact O-N 2.98Å; S336-S340 PolarHBondContact O-OG 3.14Å
337	S	86.1	Confident	83.8	Confident	20 Å²	20	42.9 Å²	42.9	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-41.3	178.8	-178.2	0	0	0	0	112.2	G333 I334 S340 S341 E556	G333-S337 WeakPolarHBondContact O-CB 3.16Å; G333-S337 PolarHBondContact O-N 3.15Å; I334-S337 PolarHBondContact O-N 3.08Å; S337-S340 PolarHBondContact O-OG 3.02Å; S337-S341 VanDerWaalsContact O-CB 3.25Å; S337-S341 WeakPolarHBondContact O-CB 3.18Å; S337-S341 PolarHBondContact O-N 3.39Å; S337-S341 PolarHBondContact O-OG 3.37Å; S337-E556 VanDerWaalsContact CB-OE2 3.26Å; S337-E556 WeakPolarHBondContact CB-OE2 3.38Å; S337-E556 PolarHBondContact OG-OE2 3.43Å
338	L	87.1	Confident	83.4	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-42.9	173	-67.5	173.5	0	0	0	110.6	I334 S341 V342 T357 F361 I557 F562 Y565 M629	I334-L338 HydrophobicContact CD1-CD1 4.01Å; I334-L338 HydrophobicContact CD1-CG 4.42Å; I334-L338 HydrophobicContact CG1-CD1 3.58Å; I334-L338 HydrophobicContact CG1-CD2 4.38Å; I334-L338 HydrophobicContact CG1-CG 3.71Å; I334-L338 WeakPolarHBondContact O-CB 3.38Å; I334-L338 WeakPolarHBondContact O-CG 3.31Å; I334-L338 PolarHBondContact O-N 3.08Å; L338-S341 PolarHBondContact O-N 3.44Å; L338-V342 WeakPolarHBondContact O-CG2 3.16Å; L338-V342 PolarHBondContact O-N 3.19Å; L338-V342 VanDerWaalsContact O-N 3.16Å; L338-T357 HydrophobicContact CB-CG2 3.9Å; L338-F361 HydrophobicContact CD1-CE2 4.08Å; L338-F361 HydrophobicContact CD1-CZ 3.94Å; L338-I557 HydrophobicContact CD2-CD1 3.64Å; L338-I557 HydrophobicContact CG-CD1 4.47Å; L338-F562 HydrophobicContact CB-CE2 3.99Å; L338-F562 HydrophobicContact CD2-CD2 3.61Å; L338-F562 HydrophobicContact CD2-CE2 3.27Å; L338-F562 HydrophobicContact CD2-CZ 4.35Å; L338-F562 HydrophobicContact CG-CE2 4.16Å; L338-Y565 HydrophobicContact CD1-CE1 4.22Å; L338-Y565 HydrophobicContact CD2-CD1 4.36Å; L338-M629 HydrophobicContact CD1-CB 4.45Å; L338-M629 HydrophobicContact CD1-CG 4.5Å; L338-M629 HydrophobicContact CD1-SD 4.45Å
339	A	87.1	Confident	83.1	Confident	7 Å²	7	40.6 Å²	40.6	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-39.1	179.7	0	0	0	0	0	112.9	Y335 S336 S341 V342 K354	Y335-A339 WeakPolarHBondContact O-CB 3.24Å; Y335-A339 PolarHBondContact O-N 3.39Å; Y335-A339 VanDerWaalsContact O-N 3.14Å; S336-A339 PolarHBondContact O-N 3.12Å; A339-S341 VanDerWaalsContact C-N 3.34Å; A339-V342 PolarHBondContact O-N 3.3Å; A339-K354 HydrophobicContact CB-CG 3.76Å
340	S	84	Confident	83.2	Confident	58 Å²	58	45.1 Å²	45.1	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-70.9	-31.4	175.7	63.3	0	0	0	0	112.3	S336 S337 V342	S336-S340 WeakPolarHBondContact O-CB 3.23Å; S336-S340 PolarHBondContact O-N 2.98Å; S336-S340 PolarHBondContact O-OG 3.14Å; S337-S340 PolarHBondContact O-OG 3.02Å; S340-V342 VanDerWaalsContact C-N 3.28Å; S340-V342 PolarHBondContact O-N 3.04Å
341	S	83.6	Confident	83.3	Confident	10 Å²	10	43.3 Å²	43.3	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-70.1	-22.8	174.9	-62	0	0	0	0	112.9	S337 L338 A339 A343	S337-S341 VanDerWaalsContact O-CB 3.25Å; S337-S341 WeakPolarHBondContact O-CB 3.18Å; S337-S341 PolarHBondContact O-N 3.39Å; S337-S341 PolarHBondContact O-OG 3.37Å; L338-S341 PolarHBondContact O-N 3.44Å; A339-S341 VanDerWaalsContact C-N 3.34Å; S341-A343 PolarHBondContact O-N 2.62Å
342	V	83.6	Confident	83.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	26%	0.256	C	S	.	.	S	Bend	trans	-75.4	114.2	172.1	175.4	0	0	0	0	109.7	L338 A339 S340 K353 I356 F396 F562	L338-V342 WeakPolarHBondContact O-CG2 3.16Å; L338-V342 PolarHBondContact O-N 3.19Å; L338-V342 VanDerWaalsContact O-N 3.16Å; A339-V342 PolarHBondContact O-N 3.3Å; S340-V342 VanDerWaalsContact C-N 3.28Å; S340-V342 PolarHBondContact O-N 3.04Å; V342-K353 WeakPolarHBondContact O-CD 3.44Å; V342-K353 PolarHBondContact O-NZ 3.36Å; V342-I356 HydrophobicContact CG1-CG2 4.06Å; V342-F396 HydrophobicContact CG1-CD1 4.33Å; V342-F396 HydrophobicContact CG1-CE1 4.25Å; V342-F562 HydrophobicContact CG2-CE1 4.34Å; V342-F562 HydrophobicContact CG2-CZ 3.8Å
343	A	80.1	Confident	84.2	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.214	C	C	.	.			trans	52.8	71.7	179.5	0	0	0	0	0	113.1	S341 S345 I346 K353 F396	S341-A343 PolarHBondContact O-N 2.62Å; A343-S345 PolarHBondContact O-N 2.88Å; A343-I346 HydrophobicContact CB-CB 4.42Å; A343-I346 HydrophobicContact CB-CD1 4.1Å; A343-I346 HydrophobicContact CB-CG1 4.32Å; A343-I346 PolarHBondContact O-N 3.43Å; A343-K353 PolarHBondContact O-NZ 2.69Å; A343-F396 HydrophobicContact CB-CB 4.4Å; A343-F396 HydrophobicContact CB-CD1 3.89Å; A343-F396 HydrophobicContact CB-CD2 4.37Å; A343-F396 HydrophobicContact CB-CE1 4.28Å; A343-F396 HydrophobicContact CB-CG 3.94Å
344	P	79.9	Confident	84.7	Confident	37 Å²	37	35.6 Å²	35.6	24%	0.24	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.7	178.6	27.5	-35.1	0	0	0	112.8	I346 V553	P344-I346 VanDerWaalsContact C-N 3.28Å; P344-I346 PolarHBondContact O-N 2.99Å; P344-V553 HydrophobicContact CB-CG1 4Å; P344-V553 HydrophobicContact CG-CG1 4.14Å
345	S	79.9	Confident	85	Confident	57 Å²	57	35.1 Å²	35.1	40%	0.399	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.9	176.9	56.5	0	0	0	0	113.5	A343 H538	A343-S345 PolarHBondContact O-N 2.88Å; S345-H538 PolarHBondContact O-NE2 3.42Å
346	I	83.3	Confident	85.3	Confident	19 Å²	19	33.2 Å²	33.2	10%	0.097	20%	0.197	C	C	.	.	S	Bend	trans	-97.5	121.7	-177.5	-58.1	176.1	0	0	0	108.7	A343 P344 K353 A389 Q392 L393	A343-I346 HydrophobicContact CB-CB 4.42Å; A343-I346 HydrophobicContact CB-CD1 4.1Å; A343-I346 HydrophobicContact CB-CG1 4.32Å; A343-I346 PolarHBondContact O-N 3.43Å; P344-I346 VanDerWaalsContact C-N 3.28Å; P344-I346 PolarHBondContact O-N 2.99Å; I346-K353 WeakPolarHBondContact O-CE 3.42Å; I346-K353 PolarHBondContact O-NZ 3.07Å; I346-A389 HydrophobicContact CD1-CB 3.97Å; I346-A389 HydrophobicContact CG1-CB 4.21Å; I346-A389 HydrophobicContact CG2-CB 4.31Å; I346-Q392 HydrophobicContact CD1-CB 4.33Å; I346-L393 HydrophobicContact CD1-CB 3.83Å; I346-L393 HydrophobicContact CD1-CD1 4.39Å
347	Y	82.1	Confident	85.6	Confident	118 Å²	118	29.8 Å²	29.8	46%	0.463	17%	0.173	S	C	.	.			trans	-87.6	139.8	175.6	-179.4	-100.8	0	0	0	111.5	L535 H538	Y347-L535 HydrophobicContact CD1-CD2 3.66Å; Y347-L535 HydrophobicContact CD1-CG 4.12Å; Y347-L535 HydrophobicContact CG-CD2 4.39Å; Y347-H538 HydrophobicContact CG-CB 4.4Å
348	G	78.9	Confident	85.8	Confident	25 Å²	25	28.9 Å²	28.9	26%	0.258	17%	0.167	S	C	.	.	S	Bend	trans	84.6	-177	176.5	0	0	0	0	0	114.9
349	S	78.5	Confident	86.1	Confident	57 Å²	57	28.8 Å²	28.8	40%	0.399	17%	0.166	S	C	.	.			trans	57.5	50.9	-179.1	65.9	0	0	0	0	115	D351 L352 K353	S349-D351 VanDerWaalsContact C-N 3.26Å; S349-D351 PolarHBondContact O-N 3.06Å; S349-L352 WeakPolarHBondContact O-CB 3.32Å; S349-L352 PolarHBondContact O-N 3.39Å; S349-K353 PolarHBondContact O-N 3.3Å; S349-K353 VanDerWaalsContact O-N 3.11Å
350	D	86.4	Confident	86.3	Confident	105 Å²	105	28.6 Å²	28.6	56%	0.561	16%	0.164	S	C	*	.	H	α-helix	trans	-59	-36.4	-178.7	-63.8	-8.9	0	0	0	112.9	L352 K353 K354	D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 2.65Å; D350-K353 PolarHBondContact O-N 2.99Å; D350-K354 WeakPolarHBondContact O-CB 3.42Å; D350-K354 VanDerWaalsContact O-CG 3.26Å; D350-K354 WeakPolarHBondContact O-CG 3.14Å; D350-K354 PolarHBondContact O-N 3.09Å
351	D	89.1	Confident	86.6	Confident	46 Å²	46	25.8 Å²	25.8	25%	0.246	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-35.1	176.3	-70.1	-38.5	0	0	0	112.3	S349 A355 R645 L646	S349-D351 VanDerWaalsContact C-N 3.26Å; S349-D351 PolarHBondContact O-N 3.06Å; D351-A355 WeakPolarHBondContact O-CB 3.49Å; D351-A355 PolarHBondContact O-N 2.83Å; D351-R645 IonicContact OD1-CZ 3.43Å; D351-R645 VanDerWaalsContact OD1-CZ 3.3Å; D351-R645 IonicContact OD1-NH1 2.75Å; D351-R645 PolarHBondContact OD1-NH1 2.76Å; D351-R645 IonicContact OD1-NH2 3.72Å; D351-R645 PolarHBondContact OD1-NH2 3.06Å; D351-R645 IonicContact OD2-NH1 2.69Å; D351-L646 HydrophobicContact CB-CD2 4.38Å
352	L	89.1	Confident	86.8	Confident	8 Å²	8	25.4 Å²	25.4	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-45.5	174.2	179	64.4	0	0	0	110.6	S349 D350 K354 A355 I356 L380 M382 L393 F521 I523	S349-L352 WeakPolarHBondContact O-CB 3.32Å; S349-L352 PolarHBondContact O-N 3.39Å; D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 2.65Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 2.89Å; L352-A355 PolarHBondContact O-N 3.06Å; L352-I356 HydrophobicContact CD1-CD1 4.21Å; L352-I356 HydrophobicContact CG-CD1 3.86Å; L352-I356 WeakPolarHBondContact O-CD1 3.25Å; L352-I356 VanDerWaalsContact O-CG1 3.31Å; L352-I356 WeakPolarHBondContact O-CG1 3.44Å; L352-I356 PolarHBondContact O-N 2.9Å; L352-L380 HydrophobicContact CD1-CD2 4.15Å; L352-M382 HydrophobicContact CD1-CG 3.96Å; L352-M382 HydrophobicContact CD1-SD 3.97Å; L352-M382 HydrophobicContact CD2-SD 4.04Å; L352-M382 HydrophobicContact CG-SD 4.46Å; L352-L393 HydrophobicContact CD2-CD1 4.05Å; L352-F521 HydrophobicContact CD1-CB 3.97Å; L352-F521 HydrophobicContact CD1-CD2 3.69Å; L352-F521 HydrophobicContact CD1-CE2 4.34Å; L352-F521 HydrophobicContact CD1-CG 3.8Å; L352-I523 HydrophobicContact CD2-CD1 3.62Å; L352-I523 HydrophobicContact CD2-CG1 4.42Å
353	K	90.6	Very high	87	Confident	13 Å²	13	25.7 Å²	25.7	6%	0.057	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.3	-65.8	-176.4	178.5	-163.4	0	112.3	V342 A343 I346 S349 D350 A355 I356 T357	V342-K353 WeakPolarHBondContact O-CD 3.44Å; V342-K353 PolarHBondContact O-NZ 3.36Å; A343-K353 PolarHBondContact O-NZ 2.69Å; I346-K353 WeakPolarHBondContact O-CE 3.42Å; I346-K353 PolarHBondContact O-NZ 3.07Å; S349-K353 PolarHBondContact O-N 3.3Å; S349-K353 VanDerWaalsContact O-N 3.11Å; D350-K353 PolarHBondContact O-N 2.99Å; K353-A355 VanDerWaalsContact C-N 3.35Å; K353-A355 PolarHBondContact O-N 3.38Å; K353-I356 PolarHBondContact O-N 2.87Å; K353-T357 PolarHBondContact O-N 2.93Å; K353-T357 PolarHBondContact O-OG1 3.39Å
354	K	91.4	Very high	87.3	Confident	43 Å²	43	26.4 Å²	26.4	19%	0.187	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-45.7	172	-81.8	175.5	179.6	-174.4	0	112	Y335 A339 D350 L352 T357 C358 E642 L646	Y335-K354 HydrophobicContact CE1-CD 3.7Å; Y335-K354 HydrophobicContact CE1-CG 3.91Å; Y335-K354 HydrophobicContact CE2-CB 4.44Å; Y335-K354 HydrophobicContact CE2-CG 4.28Å; Y335-K354 VanDerWaalsContact OH-CB 3.29Å; Y335-K354 WeakPolarHBondContact OH-CB 3.13Å; Y335-K354 WeakPolarHBondContact OH-CD 3.22Å; Y335-K354 WeakPolarHBondContact OH-CG 3.29Å; A339-K354 HydrophobicContact CB-CG 3.76Å; D350-K354 WeakPolarHBondContact O-CB 3.42Å; D350-K354 VanDerWaalsContact O-CG 3.26Å; D350-K354 WeakPolarHBondContact O-CG 3.14Å; D350-K354 PolarHBondContact O-N 3.09Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 2.89Å; K354-T357 WeakPolarHBondContact O-CB 3.41Å; K354-T357 PolarHBondContact O-N 2.98Å; K354-C358 PolarHBondContact O-N 3.14Å; K354-C358 PolarHBondContact O-SG 2.94Å; K354-E642 IonicContact NZ-OE1 2.73Å; K354-L646 HydrophobicContact CB-CD2 4.19Å; K354-L646 HydrophobicContact CD-CD2 4.46Å
355	A	91.9	Very high	87.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-39.5	178.5	0	0	0	0	0	113	D351 L352 K353 T357 C358 L359 L380 M519 F521	D351-A355 WeakPolarHBondContact O-CB 3.49Å; D351-A355 PolarHBondContact O-N 2.83Å; L352-A355 PolarHBondContact O-N 3.06Å; K353-A355 VanDerWaalsContact C-N 3.35Å; K353-A355 PolarHBondContact O-N 3.38Å; A355-T357 VanDerWaalsContact C-N 3.31Å; A355-T357 PolarHBondContact O-N 3.11Å; A355-C358 WeakPolarHBondContact O-CB 3.29Å; A355-C358 PolarHBondContact O-N 2.89Å; A355-C358 VanDerWaalsContact O-N 3.15Å; A355-L359 PolarHBondContact O-N 2.79Å; A355-L380 HydrophobicContact CB-CD1 3.57Å; A355-M519 HydrophobicContact CB-CE 3.89Å; A355-M519 HydrophobicContact CB-SD 3.71Å; A355-F521 HydrophobicContact CB-CD2 4.47Å; A355-F521 HydrophobicContact CB-CE2 3.34Å; A355-F521 HydrophobicContact CB-CZ 3.53Å
356	I	92.4	Very high	87.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-39.8	172.9	-68.9	154.6	0	0	0	110.9	V342 L352 K353 C358 L359 L360 L380 L393 V397	V342-I356 HydrophobicContact CG1-CG2 4.06Å; L352-I356 HydrophobicContact CD1-CD1 4.21Å; L352-I356 HydrophobicContact CG-CD1 3.86Å; L352-I356 WeakPolarHBondContact O-CD1 3.25Å; L352-I356 VanDerWaalsContact O-CG1 3.31Å; L352-I356 WeakPolarHBondContact O-CG1 3.44Å; L352-I356 PolarHBondContact O-N 2.9Å; K353-I356 PolarHBondContact O-N 2.87Å; I356-C358 VanDerWaalsContact C-N 3.28Å; I356-C358 PolarHBondContact O-N 3.37Å; I356-L359 VanDerWaalsContact O-CB 3.25Å; I356-L359 WeakPolarHBondContact O-CB 3.24Å; I356-L359 PolarHBondContact O-N 3.43Å; I356-L359 VanDerWaalsContact O-N 3.14Å; I356-L360 WeakPolarHBondContact O-CG 2.81Å; I356-L360 PolarHBondContact O-N 2.74Å; I356-L380 HydrophobicContact CG1-CD1 4.33Å; I356-L393 HydrophobicContact CD1-CD1 3.6Å; I356-L393 HydrophobicContact CD1-CD2 3.27Å; I356-L393 HydrophobicContact CD1-CG 3.84Å; I356-L393 HydrophobicContact CG1-CD2 4.22Å; I356-V397 HydrophobicContact CG2-CG2 3.38Å
357	T	91.9	Very high	87.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-44.5	173.6	-50.9	0	0	0	0	109.3	L338 K353 K354 A355 L359 L360 F361 M629	L338-T357 HydrophobicContact CB-CG2 3.9Å; K353-T357 PolarHBondContact O-N 2.93Å; K353-T357 PolarHBondContact O-OG1 3.39Å; K354-T357 WeakPolarHBondContact O-CB 3.41Å; K354-T357 PolarHBondContact O-N 2.98Å; A355-T357 VanDerWaalsContact C-N 3.31Å; A355-T357 PolarHBondContact O-N 3.11Å; T357-L359 VanDerWaalsContact C-N 3.28Å; T357-L359 PolarHBondContact O-N 2.68Å; T357-L360 PolarHBondContact O-N 3.27Å; T357-L360 VanDerWaalsContact O-N 3.13Å; T357-F361 HydrophobicContact CG2-CD2 4.23Å; T357-F361 HydrophobicContact CG2-CE2 3.92Å; T357-F361 WeakPolarHBondContact O-CD2 3.45Å; T357-F361 PolarHBondContact O-N 2.85Å; T357-M629 HydrophobicContact CG2-CE 3.69Å; T357-M629 HydrophobicContact CG2-SD 3.92Å; T357-M629 WeakPolarHBondContact O-CE 3.34Å
358	C	91.9	Very high	87.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-37.4	175.2	-61.7	0	0	0	0	112.9	K354 A355 I356 G362 I378 S625 M629	K354-C358 PolarHBondContact O-N 3.14Å; K354-C358 PolarHBondContact O-SG 2.94Å; A355-C358 WeakPolarHBondContact O-CB 3.29Å; A355-C358 PolarHBondContact O-N 2.89Å; A355-C358 VanDerWaalsContact O-N 3.15Å; I356-C358 VanDerWaalsContact C-N 3.28Å; I356-C358 PolarHBondContact O-N 3.37Å; C358-G362 PolarHBondContact O-N 3.28Å; C358-I378 HydrophobicContact CB-CD1 4.41Å; C358-S625 WeakPolarHBondContact CA-OG 3.42Å; C358-S625 PolarHBondContact O-OG 2.99Å; C358-M629 HydrophobicContact CB-CE 4.02Å; C358-M629 VanDerWaalsContact N-CE 3.28Å; C358-M629 VanDerWaalsContact SG-CE 3.55Å
359	L	92.8	Very high	87.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-44.1	174.9	-173.9	77.6	0	0	0	112.1	A355 I356 T357 F361 G362 I378 V444 L488	A355-L359 PolarHBondContact O-N 2.79Å; I356-L359 VanDerWaalsContact O-CB 3.25Å; I356-L359 WeakPolarHBondContact O-CB 3.24Å; I356-L359 PolarHBondContact O-N 3.43Å; I356-L359 VanDerWaalsContact O-N 3.14Å; T357-L359 VanDerWaalsContact C-N 3.28Å; T357-L359 PolarHBondContact O-N 2.68Å; L359-F361 PolarHBondContact O-N 2.75Å; L359-G362 PolarHBondContact O-N 3.39Å; L359-I378 HydrophobicContact CD1-CB 3.99Å; L359-I378 HydrophobicContact CD1-CG2 4.1Å; L359-I378 WeakPolarHBondContact CD1-O 3.05Å; L359-V444 HydrophobicContact CD2-CG1 4.03Å; L359-L488 HydrophobicContact CD2-CB 3.78Å; L359-L488 HydrophobicContact CD2-CD1 4.17Å; L359-L488 HydrophobicContact CD2-CD2 4.31Å; L359-L488 HydrophobicContact CD2-CG 4.3Å
360	L	91.1	Very high	87.7	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-39.6	-176.2	-71.4	175.1	0	0	0	113.1	I356 T357 V397 A401 V444 F562 I566	I356-L360 WeakPolarHBondContact O-CG 2.81Å; I356-L360 PolarHBondContact O-N 2.74Å; T357-L360 PolarHBondContact O-N 3.27Å; T357-L360 VanDerWaalsContact O-N 3.13Å; L360-V397 HydrophobicContact CD2-CG1 4.08Å; L360-A401 HydrophobicContact CD2-CB 3.82Å; L360-V444 HydrophobicContact CD2-CG2 4.21Å; L360-F562 HydrophobicContact CD1-CE1 3.82Å; L360-F562 HydrophobicContact CD1-CZ 4.35Å; L360-I566 HydrophobicContact CB-CD1 3.89Å; L360-I566 HydrophobicContact CD1-CD1 4.01Å; L360-I566 HydrophobicContact CG-CD1 4.4Å; L360-I566 WeakPolarHBondContact O-CG2 3.32Å
361	F	89.7	Confident	87.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-78.4	-34.7	177.5	-73.5	-95.5	0	0	0	112.2	L338 T357 L359 Y565 I566 A569 R570 K628 M629	L338-F361 HydrophobicContact CD1-CE2 4.08Å; L338-F361 HydrophobicContact CD1-CZ 3.94Å; T357-F361 HydrophobicContact CG2-CD2 4.23Å; T357-F361 HydrophobicContact CG2-CE2 3.92Å; T357-F361 WeakPolarHBondContact O-CD2 3.45Å; T357-F361 PolarHBondContact O-N 2.85Å; L359-F361 PolarHBondContact O-N 2.75Å; F361-Y565 AromaticContact CE1-CD1 3.76Å; F361-Y565 HydrophobicContact CE1-CD1 3.76Å; F361-Y565 AromaticContact CE1-CE1 3.62Å; F361-Y565 HydrophobicContact CE1-CE1 3.62Å; F361-Y565 AromaticContact CZ-CD1 3.57Å; F361-Y565 HydrophobicContact CZ-CD1 3.57Å; F361-Y565 AromaticContact CZ-CE1 3.58Å; F361-Y565 HydrophobicContact CZ-CE1 3.58Å; F361-I566 HydrophobicContact CD2-CG1 4.41Å; F361-I566 HydrophobicContact CE1-CG1 4.25Å; F361-I566 HydrophobicContact CE2-CG1 3.99Å; F361-I566 HydrophobicContact CZ-CG1 3.91Å; F361-A569 HydrophobicContact CD1-CB 3.65Å; F361-A569 HydrophobicContact CE1-CB 3.66Å; F361-R570 VanDerWaalsContact O-CG 3.24Å; F361-R570 WeakPolarHBondContact O-CG 3.26Å; F361-K628 PolarHBondContact O-NZ 3.1Å; F361-M629 HydrophobicContact CB-CG 4.34Å; F361-M629 HydrophobicContact CD1-CG 4.06Å; F361-M629 HydrophobicContact CD2-CE 3.84Å; F361-M629 HydrophobicContact CD2-CG 3.61Å; F361-M629 HydrophobicContact CD2-SD 4.3Å; F361-M629 HydrophobicContact CE1-CG 4.24Å; F361-M629 HydrophobicContact CE2-CE 4.44Å; F361-M629 HydrophobicContact CE2-CG 3.82Å; F361-M629 HydrophobicContact CE2-SD 4.43Å; F361-M629 HydrophobicContact CG-CE 4.43Å; F361-M629 HydrophobicContact CG-CG 3.73Å; F361-M629 HydrophobicContact CZ-CG 4.12Å
362	G	87.9	Confident	86.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.01	24%	0.239	C	C	.	.			trans	60.9	167.2	-177.6	0	0	0	0	0	113.8	C358 L359 K628	C358-G362 PolarHBondContact O-N 3.28Å; L359-G362 PolarHBondContact O-N 3.39Å; G362-K628 VanDerWaalsContact O-CD 3.23Å; G362-K628 WeakPolarHBondContact O-CD 3.39Å; G362-K628 PolarHBondContact O-NZ 3.33Å
363	G	87.1	Confident	86.2	Confident	7 Å²	7	48 Å²	48	7%	0.072	25%	0.254	C	S	.	.			trans	-78.5	-161.7	176.2	0	0	0	0	0	113.5	G376 K628	G363-G376 WeakPolarHBondContact CA-O 3.39Å; G363-G376 PolarHBondContact N-O 3.5Å; G363-K628 PolarHBondContact O-NZ 2.81Å; G363-K628 VanDerWaalsContact O-NZ 3.14Å
364	S	86.6	Confident	85.8	Confident	16 Å²	16	53.2 Å²	53.2	11%	0.112	27%	0.274	C	S	.	.			trans	-102.1	136.3	174.6	73.8	0	0	0	0	111.1	K366 G376 P575 E624	S364-K366 WeakPolarHBondContact OG-CE 3.33Å; S364-G376 WeakPolarHBondContact O-CA 3.4Å; S364-P575 PolarHBondContact OG-O 2.97Å; S364-E624 WeakPolarHBondContact CB-OE2 3.48Å; S364-E624 PolarHBondContact N-OE2 3.05Å; S364-E624 PolarHBondContact OG-OE2 3.37Å
365	R	84	Confident	85.5	Confident	106 Å²	106	52.4 Å²	52.4	40%	0.4	27%	0.269	S	S	.	.			trans	-82.7	124.7	171.8	-170.5	177.2	-177.6	-175.4	2.6	109.1	T373	R365-T373 PolarHBondContact NH2-OG1 2.96Å
366	K	84.1	Confident	85.1	Confident	69 Å²	69	52.6 Å²	52.6	30%	0.3	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122	179.9	-61.2	176.2	-171.9	169.3	0	109.8	S364 T373 R374 E624	S364-K366 WeakPolarHBondContact OG-CE 3.33Å; K366-T373 WeakPolarHBondContact O-CA 3.1Å; K366-R374 HydrophobicContact CB-CB 4.41Å; K366-R374 PolarHBondContact N-O 3.17Å; K366-R374 PolarHBondContact O-N 3.48Å; K366-E624 WeakPolarHBondContact CE-OE1 2.77Å; K366-E624 IonicContact NZ-OE1 2.83Å; K366-E624 PolarHBondContact NZ-OE1 3.37Å
367	R	81.3	Confident	85	Confident	195 Å²	195	53.5 Å²	53.5	74%	0.736	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.8	166	-63.9	-169.4	176.3	178	-1.3	107.5	T373	R367-T373 HydrophobicContact CG-CG2 3.97Å
368	L	82	Confident	85	Confident	66 Å²	66	53.5 Å²	53.5	35%	0.346	28%	0.276	S	S	.	.			trans	-76.8	155.3	170.8	-75.8	89.3	0	0	0	109.1	D370 G371 L372 R374	L368-D370 PolarHBondContact O-N 3.01Å; L368-D370 VanDerWaalsContact O-N 3.14Å; L368-G371 PolarHBondContact O-N 2.75Å; L368-G371 VanDerWaalsContact O-N 3.08Å; L368-L372 PolarHBondContact N-O 2.7Å; L368-R374 HydrophobicContact CD1-CG 3.71Å
369	P	80.8	Confident	85	Confident	133 Å²	133	53.5 Å²	53.5	86%	0.864	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.8	173.9	23.5	-33.8	0	0	0	112.6	G371	P369-G371 PolarHBondContact O-N 3.39Å; P369-G371 VanDerWaalsContact O-N 3.15Å
370	D	80.4	Confident	85	Confident	129 Å²	129	53.5 Å²	53.5	69%	0.69	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	4.7	177.3	-54.4	-24.5	0	0	0	114.1	L368 L372	L368-D370 PolarHBondContact O-N 3.01Å; L368-D370 VanDerWaalsContact O-N 3.14Å; D370-L372 PolarHBondContact O-N 2.84Å; D370-L372 VanDerWaalsContact O-N 3.16Å
371	G	76.1	Confident	85	Confident	61 Å²	61	53.4 Å²	53.4	63%	0.629	28%	0.276	S	S	*	.	S	Bend	trans	78.1	-9.9	-178.6	0	0	0	0	0	114.7	L368 P369 T373	L368-G371 PolarHBondContact O-N 2.75Å; L368-G371 VanDerWaalsContact O-N 3.08Å; P369-G371 PolarHBondContact O-N 3.39Å; P369-G371 VanDerWaalsContact O-N 3.15Å; G371-T373 PolarHBondContact O-N 2.86Å
372	L	78.7	Confident	85.1	Confident	105 Å²	105	53.4 Å²	53.4	55%	0.55	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-66.6	124.8	172	-70.8	169.9	0	0	0	110.5	L368 D370	L368-L372 PolarHBondContact N-O 2.7Å; D370-L372 PolarHBondContact O-N 2.84Å; D370-L372 VanDerWaalsContact O-N 3.16Å
373	T	77.9	Confident	85	Confident	60 Å²	60	53.6 Å²	53.6	37%	0.368	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.7	173.8	75.3	0	0	0	0	110	R365 K366 R367 G371	R365-T373 PolarHBondContact NH2-OG1 2.96Å; K366-T373 WeakPolarHBondContact O-CA 3.1Å; R367-T373 HydrophobicContact CG-CG2 3.97Å; G371-T373 PolarHBondContact O-N 2.86Å
374	R	82	Confident	85	Confident	124 Å²	124	53.3 Å²	53.3	47%	0.468	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.2	171.2	-67.2	-74.4	179.2	177.9	-8.1	109.2	K366 L368 E617	K366-R374 HydrophobicContact CB-CB 4.41Å; K366-R374 PolarHBondContact N-O 3.17Å; K366-R374 PolarHBondContact O-N 3.48Å; L368-R374 HydrophobicContact CD1-CG 3.71Å; R374-E617 IonicContact CZ-OE1 2.71Å; R374-E617 IonicContact NH1-OE1 2.74Å; R374-E617 PolarHBondContact NH1-OE1 3.15Å
375	R	85.6	Confident	85	Confident	25 Å²	25	53.3 Å²	53.3	9%	0.094	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-64.4	134.9	176.4	168.7	179	164.2	138.8	21.1	110.7	D377 N379 M465 Q468 R621	R375-D377 HydrophobicContact CG-CB 4.49Å; R375-D377 VanDerWaalsContact CZ-O 3.31Å; R375-D377 PolarHBondContact NE-O 3.41Å; R375-D377 VanDerWaalsContact NH2-C 3.33Å; R375-D377 PolarHBondContact NH2-O 3.33Å; R375-N379 PolarHBondContact NH1-ND2 2.83Å; R375-N379 PolarHBondContact NH1-OD1 3.13Å; R375-N379 PolarHBondContact NH2-ND2 2.8Å; R375-N379 PolarHBondContact NH2-OD1 3.05Å; R375-M465 PolarHBondContact NH1-O 3.18Å; R375-Q468 HydrophobicContact CG-CG 4.33Å; R375-R621 PolarHBondContact O-NE 3.2Å
376	G	82.8	Confident	85.1	Confident	4 Å²	4	52.1 Å²	52.1	4%	0.041	28%	0.278	C	S	.	.			trans	-107.2	-13.7	175	0	0	0	0	0	114.4	G363 S364	G363-G376 WeakPolarHBondContact CA-O 3.39Å; G363-G376 PolarHBondContact N-O 3.5Å; S364-G376 WeakPolarHBondContact O-CA 3.4Å
377	D	89.6	Confident	84.9	Confident	19 Å²	19	52.9 Å²	52.9	10%	0.102	31%	0.306	C	S	.	.			trans	-77.6	144.5	-176.5	-63.5	-46	0	0	0	111.5	R375 Q468 S486 R621	R375-D377 HydrophobicContact CG-CB 4.49Å; R375-D377 VanDerWaalsContact CZ-O 3.31Å; R375-D377 PolarHBondContact NE-O 3.41Å; R375-D377 VanDerWaalsContact NH2-C 3.33Å; R375-D377 PolarHBondContact NH2-O 3.33Å; D377-Q468 PolarHBondContact OD2-NE2 2.97Å; D377-S486 WeakPolarHBondContact CB-OG 3.47Å; D377-R621 WeakPolarHBondContact O-CD 3.33Å
378	I	91.9	Very high	85	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.281	C	S	.	.			trans	-96.3	148.7	-179.9	-62.1	171.8	0	0	0	108.8	C358 L359 S486 D518 M519 R621 I622	C358-I378 HydrophobicContact CB-CD1 4.41Å; L359-I378 HydrophobicContact CD1-CB 3.99Å; L359-I378 HydrophobicContact CD1-CG2 4.1Å; L359-I378 WeakPolarHBondContact CD1-O 3.05Å; I378-S486 VanDerWaalsContact O-CB 3.29Å; I378-S486 WeakPolarHBondContact O-CB 3.41Å; I378-S486 PolarHBondContact O-OG 3.36Å; I378-D518 WeakPolarHBondContact CA-OD2 3.39Å; I378-D518 HydrophobicContact CG2-CB 4.09Å; I378-M519 HydrophobicContact CG2-CE 3.65Å; I378-R621 HydrophobicContact CD1-CB 4.3Å; I378-R621 HydrophobicContact CG1-CB 3.84Å; I378-I622 HydrophobicContact CD1-CG1 4.13Å
379	N	92.7	Very high	85.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	28%	0.277	C	S	.	.			trans	-119.7	138.7	169	-59.9	-47.1	0	0	0	110.4	R375 M465 V487 R516 F517 D518 M519	R375-N379 PolarHBondContact NH1-ND2 2.83Å; R375-N379 PolarHBondContact NH1-OD1 3.13Å; R375-N379 PolarHBondContact NH2-ND2 2.8Å; R375-N379 PolarHBondContact NH2-OD1 3.05Å; N379-M465 HydrophobicContact CB-CE 3.93Å; N379-M465 VanDerWaalsContact CG-CE 3.5Å; N379-M465 WeakPolarHBondContact ND2-CE 3.43Å; N379-V487 WeakPolarHBondContact CA-O 3.13Å; N379-V487 PolarHBondContact OD1-N 3.43Å; N379-V487 VanDerWaalsContact OD1-N 3.12Å; N379-R516 PolarHBondContact ND2-O 2.95Å; N379-F517 HydrophobicContact CB-CD1 3.65Å; N379-F517 HydrophobicContact CB-CE1 4.17Å; N379-D518 WeakPolarHBondContact O-CB 2.99Å; N379-D518 PolarHBondContact O-N 3.18Å; N379-M519 PolarHBondContact O-N 2.78Å
380	L	92.8	Very high	85.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.6	179.5	-169.2	151.5	0	0	0	110.4	L352 A355 I356 M382 V487 L488 A489 M519 F521	L352-L380 HydrophobicContact CD1-CD2 4.15Å; A355-L380 HydrophobicContact CB-CD1 3.57Å; I356-L380 HydrophobicContact CG1-CD1 4.33Å; L380-M382 HydrophobicContact CD2-CG 3.48Å; L380-M382 VanDerWaalsContact CD2-CG 3.48Å; L380-M382 HydrophobicContact CD2-SD 4.39Å; L380-V487 PolarHBondContact N-O 2.96Å; L380-L488 HydrophobicContact CB-CD1 3.83Å; L380-L488 HydrophobicContact CD2-CD1 3.39Å; L380-L488 HydrophobicContact CG-CD1 4.13Å; L380-L488 WeakPolarHBondContact O-CA 3.45Å; L380-A489 PolarHBondContact O-N 2.85Å; L380-M519 WeakPolarHBondContact CA-O 3.48Å; L380-M519 HydrophobicContact CD1-CE 4.2Å; L380-M519 HydrophobicContact CG-CB 4.46Å; L380-F521 HydrophobicContact CD1-CD2 4.01Å; L380-F521 HydrophobicContact CD1-CE2 3.81Å; L380-F521 HydrophobicContact CD2-CD2 4.16Å; L380-F521 HydrophobicContact CG-CD2 4.08Å; L380-F521 HydrophobicContact CG-CE2 4.28Å
381	L	91.4	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.7	174.5	-179.9	65.4	0	0	0	110	L383 F450 A489 A491 L514 F517 M519 I520 F521	L381-L383 HydrophobicContact CD1-CD2 4.46Å; L381-L383 HydrophobicContact CD2-CD1 4.16Å; L381-L383 HydrophobicContact CD2-CD2 4.18Å; L381-L383 HydrophobicContact CD2-CG 4.1Å; L381-L383 HydrophobicContact CG-CD2 4.26Å; L381-L383 HydrophobicContact CG-CG 4.1Å; L381-F450 HydrophobicContact CD1-CD1 4.47Å; L381-A489 CarbonylContact C-O 3.14Å; L381-A489 WeakPolarHBondContact CA-O 3.18Å; L381-A489 HydrophobicContact CD1-CB 3.67Å; L381-A491 HydrophobicContact CD1-CB 4.39Å; L381-L514 HydrophobicContact CD2-CD2 3.73Å; L381-F517 HydrophobicContact CB-CB 4.24Å; L381-F517 HydrophobicContact CB-CD1 3.78Å; L381-F517 HydrophobicContact CB-CD2 4.2Å; L381-F517 HydrophobicContact CB-CE1 4.15Å; L381-F517 HydrophobicContact CB-CG 3.82Å; L381-F517 HydrophobicContact CD1-CE2 4.45Å; L381-F517 HydrophobicContact CD1-CZ 4.36Å; L381-F517 HydrophobicContact CD2-CD2 4.13Å; L381-F517 HydrophobicContact CD2-CE2 4.36Å; L381-M519 PolarHBondContact N-O 3Å; L381-I520 HydrophobicContact CB-CG1 4.38Å; L381-I520 HydrophobicContact CD2-CG1 4.44Å; L381-I520 HydrophobicContact CD2-CG2 4.27Å; L381-I520 CarbonylContact O-C 3.6Å; L381-I520 WeakPolarHBondContact O-CA 3.47Å; L381-F521 PolarHBondContact O-N 2.71Å
382	M	90.9	Very high	86.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114	172.9	-59.7	-176.1	-69.5	0	0	109.7	L352 L380 L393 L394 L488 A489 A490 A491 I523	L352-M382 HydrophobicContact CD1-CG 3.96Å; L352-M382 HydrophobicContact CD1-SD 3.97Å; L352-M382 HydrophobicContact CD2-SD 4.04Å; L352-M382 HydrophobicContact CG-SD 4.46Å; L380-M382 HydrophobicContact CD2-CG 3.48Å; L380-M382 VanDerWaalsContact CD2-CG 3.48Å; L380-M382 HydrophobicContact CD2-SD 4.39Å; M382-L393 HydrophobicContact CE-CD2 3.84Å; M382-L393 HydrophobicContact SD-CD2 3.78Å; M382-L394 HydrophobicContact CE-CD2 3.61Å; M382-L394 HydrophobicContact CE-CG 3.97Å; M382-L488 HydrophobicContact CE-CD1 4.17Å; M382-L488 HydrophobicContact CE-CG 4.39Å; M382-A489 PolarHBondContact N-O 3.46Å; M382-A490 HydrophobicContact CE-CB 4.09Å; M382-A490 WeakPolarHBondContact O-CA 3.35Å; M382-A491 PolarHBondContact O-N 3.29Å; M382-I523 HydrophobicContact CB-CD1 4.44Å
383	L	87.4	Confident	87.1	Confident	6 Å²	6	32 Å²	32	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	157.8	173.2	-63.2	172.1	0	0	0	109.7	L381 A491 W498 F509 I520 F521 I522 I523	L381-L383 HydrophobicContact CD1-CD2 4.46Å; L381-L383 HydrophobicContact CD2-CD1 4.16Å; L381-L383 HydrophobicContact CD2-CD2 4.18Å; L381-L383 HydrophobicContact CD2-CG 4.1Å; L381-L383 HydrophobicContact CG-CD2 4.26Å; L381-L383 HydrophobicContact CG-CG 4.1Å; L383-A491 HydrophobicContact CD2-CB 3.62Å; L383-W498 HydrophobicContact CB-CZ3 4.49Å; L383-F509 HydrophobicContact CD2-CE2 3.92Å; L383-I520 HydrophobicContact CD1-CG2 3.74Å; L383-I520 HydrophobicContact CG-CG2 4.38Å; L383-F521 PolarHBondContact N-O 2.78Å; L383-I522 HydrophobicContact CB-CG1 4.4Å; L383-I523 PolarHBondContact O-N 2.86Å
384	G	86.6	Confident	87.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-170.1	177.4	0	0	0	0	0	114.9	K390 I523	G384-K390 PolarHBondContact O-NZ 2.58Å; G384-I523 WeakPolarHBondContact CA-O 3.46Å
385	D	86.3	Confident	88.1	Confident	16 Å²	16	28.3 Å²	28.3	9%	0.086	18%	0.175	C	C	.	.			trans	-80.4	151.6	-171.4	-58.4	-24.7	0	0	0	112.1	T388 R497 W498 I523 D525	D385-T388 PolarHBondContact O-OG1 2.83Å; D385-R497 VanDerWaalsContact OD1-CA 3.26Å; D385-R497 WeakPolarHBondContact OD1-CA 3.39Å; D385-W498 PolarHBondContact OD1-N 2.82Å; D385-I523 PolarHBondContact N-O 2.8Å; D385-D525 HydrophobicContact CB-CB 4.46Å; D385-D525 PolarHBondContact OD2-N 3.19Å
386	P	85.1	Confident	88.3	Confident	81 Å²	81	28.8 Å²	28.8	53%	0.526	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	146.9	171	30.1	-33.3	0	0	0	110	G496	P386-G496 WeakPolarHBondContact CD-O 3.24Å
387	G	81.2	Confident	88.6	Confident	86 Å²	86	28.6 Å²	28.6	89%	0.887	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.8	-6.7	-178.7	0	0	0	0	0	115	A389	G387-A389 VanDerWaalsContact C-N 3.25Å; G387-A389 PolarHBondContact O-N 2.76Å; G387-A389 VanDerWaalsContact O-N 3.17Å
388	T	83.9	Confident	88.5	Confident	34 Å²	34	30.7 Å²	30.7	21%	0.209	19%	0.185	C	C	.	.	S	Bend	trans	-85.3	27.5	-178.6	53.7	0	0	0	0	114.5	D385 K390 I523 D525	D385-T388 PolarHBondContact O-OG1 2.83Å; T388-K390 PolarHBondContact O-N 3.3Å; T388-K390 WeakPolarHBondContact OG1-CE 3.17Å; T388-I523 HydrophobicContact CG2-CG2 3.87Å; T388-D525 HydrophobicContact CG2-CB 4.45Å
389	A	85.6	Confident	88.1	Confident	32 Å²	32	39.4 Å²	39.4	26%	0.264	22%	0.218	S	C	.	.	S	Bend	trans	56	10.4	179.4	0	0	0	0	0	117.6	I346 G387 S391 Q392 L393	I346-A389 HydrophobicContact CD1-CB 3.97Å; I346-A389 HydrophobicContact CG1-CB 4.21Å; I346-A389 HydrophobicContact CG2-CB 4.31Å; G387-A389 VanDerWaalsContact C-N 3.25Å; G387-A389 PolarHBondContact O-N 2.76Å; G387-A389 VanDerWaalsContact O-N 3.17Å; A389-S391 PolarHBondContact O-N 2.84Å; A389-Q392 WeakPolarHBondContact O-CB 3.23Å; A389-Q392 PolarHBondContact O-N 2.73Å; A389-L393 PolarHBondContact O-N 2.98Å
390	K	88.3	Confident	87.7	Confident	11 Å²	11	39.5 Å²	39.5	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-50.1	-49.3	-179.1	-65.7	174.4	-175.6	173	0	114.6	G384 T388 Q392 L393 L394 A490 A491 I523	G384-K390 PolarHBondContact O-NZ 2.58Å; T388-K390 PolarHBondContact O-N 3.3Å; T388-K390 WeakPolarHBondContact OG1-CE 3.17Å; K390-Q392 VanDerWaalsContact C-N 3.27Å; K390-Q392 PolarHBondContact O-N 3.17Å; K390-L393 WeakPolarHBondContact O-CB 3.44Å; K390-L393 PolarHBondContact O-N 2.98Å; K390-L393 VanDerWaalsContact O-N 3.13Å; K390-L394 PolarHBondContact O-N 3.24Å; K390-A490 HydrophobicContact CB-CB 4.39Å; K390-A491 PolarHBondContact NZ-O 3.24Å; K390-I523 HydrophobicContact CG-CD1 3.99Å
391	S	89	Confident	87.2	Confident	47 Å²	47	39.6 Å²	39.6	33%	0.329	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-29.8	-179.5	-50.5	0	0	0	0	112.5	A389 K395 D448	A389-S391 PolarHBondContact O-N 2.84Å; S391-K395 WeakPolarHBondContact O-CG 2.67Å; S391-K395 PolarHBondContact O-N 2.96Å; S391-D448 VanDerWaalsContact CB-OD2 3.26Å; S391-D448 WeakPolarHBondContact CB-OD2 3.47Å; S391-D448 PolarHBondContact OG-OD2 3.24Å
392	Q	88.3	Confident	86.5	Confident	122 Å²	122	40.4 Å²	40.4	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-70.2	-39.7	173.2	-65.4	-176.9	-5.4	0	0	110.8	I346 A389 K390 K395 F396	I346-Q392 HydrophobicContact CD1-CB 4.33Å; A389-Q392 WeakPolarHBondContact O-CB 3.23Å; A389-Q392 PolarHBondContact O-N 2.73Å; K390-Q392 VanDerWaalsContact C-N 3.27Å; K390-Q392 PolarHBondContact O-N 3.17Å; Q392-K395 PolarHBondContact O-N 3.12Å; Q392-F396 PolarHBondContact O-N 3.46Å
393	L	90.3	Very high	86	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-43.6	176.2	-173	146.8	0	0	0	111.5	I346 L352 I356 M382 A389 K390 K395 F396 V397	I346-L393 HydrophobicContact CD1-CB 3.83Å; I346-L393 HydrophobicContact CD1-CD1 4.39Å; L352-L393 HydrophobicContact CD2-CD1 4.05Å; I356-L393 HydrophobicContact CD1-CD1 3.6Å; I356-L393 HydrophobicContact CD1-CD2 3.27Å; I356-L393 HydrophobicContact CD1-CG 3.84Å; I356-L393 HydrophobicContact CG1-CD2 4.22Å; M382-L393 HydrophobicContact CE-CD2 3.84Å; M382-L393 HydrophobicContact SD-CD2 3.78Å; A389-L393 PolarHBondContact O-N 2.98Å; K390-L393 WeakPolarHBondContact O-CB 3.44Å; K390-L393 PolarHBondContact O-N 2.98Å; K390-L393 VanDerWaalsContact O-N 3.13Å; L393-K395 PolarHBondContact O-N 3.46Å; L393-F396 PolarHBondContact O-N 3.39Å; L393-V397 HydrophobicContact CD2-CG2 4.13Å; L393-V397 WeakPolarHBondContact O-CG2 3.25Å; L393-V397 PolarHBondContact O-N 3.36Å
394	L	91.5	Very high	85.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.6	-47.9	173.6	-71	-178.5	0	0	0	112.2	M382 K390 F396 V397 E398 Y406 C446 D448 L488 A490	M382-L394 HydrophobicContact CE-CD2 3.61Å; M382-L394 HydrophobicContact CE-CG 3.97Å; K390-L394 PolarHBondContact O-N 3.24Å; L394-F396 VanDerWaalsContact C-N 3.29Å; L394-F396 PolarHBondContact O-N 3Å; L394-V397 PolarHBondContact O-N 2.98Å; L394-E398 PolarHBondContact O-N 2.86Å; L394-Y406 HydrophobicContact CB-CD2 4.23Å; L394-Y406 HydrophobicContact CB-CE2 4.1Å; L394-Y406 HydrophobicContact CD1-CE2 4.24Å; L394-C446 HydrophobicContact CB-CB 4.28Å; L394-C446 HydrophobicContact CD2-CB 4.09Å; L394-D448 HydrophobicContact CD1-CB 3.68Å; L394-L488 HydrophobicContact CD2-CB 4.33Å; L394-L488 HydrophobicContact CD2-CD1 4.5Å; L394-L488 HydrophobicContact CD2-CD2 3.53Å; L394-L488 HydrophobicContact CD2-CG 3.46Å; L394-L488 VanDerWaalsContact CD2-CG 3.46Å; L394-A490 HydrophobicContact CD1-CB 3.65Å; L394-A490 HydrophobicContact CG-CB 4.3Å
395	K	89.4	Confident	85.9	Confident	106 Å²	106	43.3 Å²	43.3	46%	0.461	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-35	178	-70.9	173.9	-177.4	-179.6	0	112.3	S391 Q392 L393 R399 Y406	S391-K395 WeakPolarHBondContact O-CG 2.67Å; S391-K395 PolarHBondContact O-N 2.96Å; Q392-K395 PolarHBondContact O-N 3.12Å; L393-K395 PolarHBondContact O-N 3.46Å; K395-R399 WeakPolarHBondContact O-CG 3.26Å; K395-R399 PolarHBondContact O-N 3.17Å; K395-Y406 HydrophobicContact CG-CD2 4.36Å; K395-Y406 HydrophobicContact CG-CE2 4.26Å
396	F	88.4	Confident	86	Confident	35 Å²	35	45.7 Å²	45.7	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-43.9	175	-172.7	-86.3	0	0	0	111.1	V342 A343 Q392 L393 L394 E398 R399 C400 L559	V342-F396 HydrophobicContact CG1-CD1 4.33Å; V342-F396 HydrophobicContact CG1-CE1 4.25Å; A343-F396 HydrophobicContact CB-CB 4.4Å; A343-F396 HydrophobicContact CB-CD1 3.89Å; A343-F396 HydrophobicContact CB-CD2 4.37Å; A343-F396 HydrophobicContact CB-CE1 4.28Å; A343-F396 HydrophobicContact CB-CG 3.94Å; Q392-F396 PolarHBondContact O-N 3.46Å; L393-F396 PolarHBondContact O-N 3.39Å; L394-F396 VanDerWaalsContact C-N 3.29Å; L394-F396 PolarHBondContact O-N 3Å; F396-E398 VanDerWaalsContact C-N 3.35Å; F396-E398 PolarHBondContact O-N 3.38Å; F396-R399 CarbonylContact O-C 3.36Å; F396-R399 PolarHBondContact O-N 3.49Å; F396-R399 VanDerWaalsContact O-N 3.17Å; F396-C400 HydrophobicContact CD1-CB 4.34Å; F396-C400 HydrophobicContact CE1-CB 4.16Å; F396-C400 VanDerWaalsContact O-CB 3.22Å; F396-C400 WeakPolarHBondContact O-CB 3.43Å; F396-C400 PolarHBondContact O-N 2.94Å; F396-L559 HydrophobicContact CE1-CD2 4.42Å; F396-L559 HydrophobicContact CE2-CD2 4.31Å; F396-L559 HydrophobicContact CZ-CD2 3.76Å
397	V	90	Very high	86.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-41	177.2	174.3	0	0	0	0	111.4	I356 L360 L393 L394 R399 C400 A401 V444 L488	I356-V397 HydrophobicContact CG2-CG2 3.38Å; L360-V397 HydrophobicContact CD2-CG1 4.08Å; L393-V397 HydrophobicContact CD2-CG2 4.13Å; L393-V397 WeakPolarHBondContact O-CG2 3.25Å; L393-V397 PolarHBondContact O-N 3.36Å; L394-V397 PolarHBondContact O-N 2.98Å; V397-R399 VanDerWaalsContact C-N 3.3Å; V397-R399 PolarHBondContact O-N 3.41Å; V397-C400 PolarHBondContact O-N 3.35Å; V397-C400 VanDerWaalsContact O-N 3.13Å; V397-A401 VanDerWaalsContact O-CB 3.3Å; V397-A401 WeakPolarHBondContact O-CB 3.26Å; V397-A401 PolarHBondContact O-N 3.08Å; V397-V444 HydrophobicContact CG1-CG1 4.15Å; V397-L488 HydrophobicContact CB-CD2 3.93Å; V397-L488 HydrophobicContact CG1-CD2 3.8Å; V397-L488 HydrophobicContact CG2-CD2 3.91Å
398	E	87.1	Confident	86.4	Confident	63 Å²	63	40.1 Å²	40.1	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-55.4	-46.9	172.7	179	-172.1	-149.6	0	0	111.4	L394 F396 C400 Y406	L394-E398 PolarHBondContact O-N 2.86Å; F396-E398 VanDerWaalsContact C-N 3.35Å; F396-E398 PolarHBondContact O-N 3.38Å; E398-C400 VanDerWaalsContact C-N 3.3Å; E398-C400 PolarHBondContact O-N 2.99Å; E398-Y406 WeakPolarHBondContact OE1-CB 3.43Å; E398-Y406 PolarHBondContact OE1-N 2.94Å; E398-Y406 WeakPolarHBondContact OE2-CB 3.38Å
399	R	83.9	Confident	86	Confident	183 Å²	183	38.6 Å²	38.6	69%	0.691	19%	0.193	S	C	*	.	H	α-helix	trans	-68.9	-28.3	178	-72.3	178.8	-178.3	-174.3	-0.7	113.2	K395 F396 V397 K563	K395-R399 WeakPolarHBondContact O-CG 3.26Å; K395-R399 PolarHBondContact O-N 3.17Å; F396-R399 CarbonylContact O-C 3.36Å; F396-R399 PolarHBondContact O-N 3.49Å; F396-R399 VanDerWaalsContact O-N 3.17Å; V397-R399 VanDerWaalsContact C-N 3.3Å; V397-R399 PolarHBondContact O-N 3.41Å; R399-K563 WeakPolarHBondContact O-CE 3.43Å; R399-K563 PolarHBondContact O-NZ 3.38Å
400	C	84.4	Confident	85.6	Confident	2 Å²	2	43 Å²	43	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-85.8	-32.1	-176	-167.1	0	0	0	0	111.9	F396 V397 E398 F562 K563	F396-C400 HydrophobicContact CD1-CB 4.34Å; F396-C400 HydrophobicContact CE1-CB 4.16Å; F396-C400 VanDerWaalsContact O-CB 3.22Å; F396-C400 WeakPolarHBondContact O-CB 3.43Å; F396-C400 PolarHBondContact O-N 2.94Å; V397-C400 PolarHBondContact O-N 3.35Å; V397-C400 VanDerWaalsContact O-N 3.13Å; E398-C400 VanDerWaalsContact C-N 3.3Å; E398-C400 PolarHBondContact O-N 2.99Å; C400-F562 WeakPolarHBondContact SG-CD1 3.45Å; C400-F562 WeakPolarHBondContact SG-CE1 3.36Å; C400-K563 VanDerWaalsContact O-CG 3.26Å; C400-K563 WeakPolarHBondContact O-CG 3.45Å
401	A	82	Confident	84.5	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.017	24%	0.236	C	C	.	.	S	Bend	trans	-67.8	145.7	-179.8	0	0	0	0	0	111.7	L360 V397 I403 V444	L360-A401 HydrophobicContact CD2-CB 3.82Å; V397-A401 VanDerWaalsContact O-CB 3.3Å; V397-A401 WeakPolarHBondContact O-CB 3.26Å; V397-A401 PolarHBondContact O-N 3.08Å; A401-I403 VanDerWaalsContact C-N 3.26Å; A401-I403 PolarHBondContact O-N 3.48Å; A401-V444 HydrophobicContact CB-CB 4.23Å; A401-V444 HydrophobicContact CB-CG2 4.29Å
402	P	75.9	Confident	83.2	Confident	18 Å²	18	44.1 Å²	44.1	12%	0.117	23%	0.226	C	C	.	.	S	Bend	trans	-54.5	-44.6	170.6	11.5	-22.4	0	0	0	112.1	A309 I566	A309-P402 CarbonylContact C-O 3.59Å; A309-P402 HydrophobicContact CB-CB 4.27Å; A309-P402 CarbonylContact O-C 3.48Å; A309-P402 WeakPolarHBondContact O-CA 3.48Å; A309-P402 WeakPolarHBondContact O-CB 3.47Å; P402-I566 HydrophobicContact CG-CG2 4Å
403	I	82	Confident	81.9	Confident	19 Å²	19	41.5 Å²	41.5	10%	0.097	22%	0.221	C	C	.	.	S	Bend	trans	-129.5	109	172.2	-47.1	157.8	0	0	0	105.9	G310 A401 D441 G443 V444	G310-I403 WeakPolarHBondContact O-CD1 3.26Å; G310-I403 VanDerWaalsContact O-CG1 3.26Å; G310-I403 WeakPolarHBondContact O-CG1 3.41Å; A401-I403 VanDerWaalsContact C-N 3.26Å; A401-I403 PolarHBondContact O-N 3.48Å; I403-D441 VanDerWaalsContact CD1-O 3.32Å; I403-D441 WeakPolarHBondContact CD1-O 3.41Å; I403-G443 WeakPolarHBondContact O-CA 3.47Å; I403-V444 PolarHBondContact O-N 3.13Å
404	G	84.6	Confident	80.3	Confident	15 Å²	15	43.2 Å²	43.2	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.5	172.7	0	0	0	0	0	109.3	V444	G404-V444 WeakPolarHBondContact CA-O 3.29Å
405	V	86.3	Confident	78.8	Confident	33 Å²	33	45 Å²	45	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.7	165.3	-175.8	0	0	0	0	108.1	T407 A436 A440 V444 C446	V405-T407 HydrophobicContact CG1-CG2 4.1Å; V405-A436 HydrophobicContact CG1-CB 3.74Å; V405-A440 HydrophobicContact CB-CB 4.34Å; V405-A440 HydrophobicContact CG2-CB 3.87Å; V405-V444 PolarHBondContact N-O 3.07Å; V405-C446 PolarHBondContact O-N 3.14Å
406	Y	89.3	Confident	78	Confident	66 Å²	66	41.4 Å²	41.4	26%	0.259	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.1	171.6	176.1	-92	0	0	0	111.3	L394 K395 E398 C446 D448	L394-Y406 HydrophobicContact CB-CD2 4.23Å; L394-Y406 HydrophobicContact CB-CE2 4.1Å; L394-Y406 HydrophobicContact CD1-CE2 4.24Å; K395-Y406 HydrophobicContact CG-CD2 4.36Å; K395-Y406 HydrophobicContact CG-CE2 4.26Å; E398-Y406 WeakPolarHBondContact OE1-CB 3.43Å; E398-Y406 PolarHBondContact OE1-N 2.94Å; E398-Y406 WeakPolarHBondContact OE2-CB 3.38Å; Y406-C446 HydrophobicContact CD2-CB 4.17Å; Y406-D448 HydrophobicContact CE2-CB 4.01Å; Y406-D448 PolarHBondContact OH-OD2 3.44Å
407	T	87.1	Confident	77.5	Confident	13 Å²	13	39.7 Å²	39.7	8%	0.08	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.6	178.1	55.9	0	0	0	0	110.5	V405 A436 C446 I447 D448	V405-T407 HydrophobicContact CG1-CG2 4.1Å; T407-A436 HydrophobicContact CG2-CB 3.44Å; T407-A436 VanDerWaalsContact CG2-CB 3.44Å; T407-C446 PolarHBondContact N-O 2.94Å; T407-C446 PolarHBondContact OG1-O 2.68Å; T407-I447 WeakPolarHBondContact O-CA 3.44Å; T407-D448 PolarHBondContact O-N 2.85Å
408	S	86.4	Confident	77	Confident	36 Å²	36	40.3 Å²	40.3	25%	0.252	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134	170.9	168.5	0	0	0	0	109.3	K410 G411 S412	S408-K410 PolarHBondContact O-N 2.88Å; S408-G411 PolarHBondContact O-N 2.92Å; S408-S412 VanDerWaalsContact O-CB 3.27Å; S408-S412 WeakPolarHBondContact O-CB 3.45Å; S408-S412 PolarHBondContact O-N 3.44Å; S408-S412 PolarHBondContact O-OG 2.99Å
409	G	76.3	Confident	76.5	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.021	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.3	-178.9	0	0	0	0	0	114.5	D448	G409-D448 PolarHBondContact N-O 2.92Å
410	K	77.6	Confident	76.2	Confident	124 Å²	124	29.6 Å²	29.6	54%	0.539	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.8	175.3	-77.1	-173.9	168.4	164.8	0	114.1	S408 E449 K452	S408-K410 PolarHBondContact O-N 2.88Å; K410-E449 WeakPolarHBondContact CD-OE2 3.3Å; K410-K452 HydrophobicContact CD-CB 4.08Å; K410-K452 HydrophobicContact CD-CD 4.17Å; K410-K452 HydrophobicContact CD-CG 4.42Å; K410-K452 VanDerWaalsContact CE-CG 3.46Å; K410-K452 HydrophobicContact CG-CB 3.52Å; K410-K452 HydrophobicContact CG-CD 4.42Å; K410-K452 HydrophobicContact CG-CG 4.38Å
411	G	63.8	Low	76	Confident	67 Å²	67	31 Å²	31	69%	0.691	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-17.2	-174.6	0	0	0	0	0	113.7	S408 S413	S408-G411 PolarHBondContact O-N 2.92Å; G411-S413 PolarHBondContact O-N 2.63Å
412	S	63.3	Low	75.9	Confident	15 Å²	15	34.6 Å²	34.6	11%	0.105	23%	0.227	C	C	.	.			trans	-86.3	101.2	178.1	-52	0	0	0	0	108.8	S408	S408-S412 VanDerWaalsContact O-CB 3.27Å; S408-S412 WeakPolarHBondContact O-CB 3.45Å; S408-S412 PolarHBondContact O-N 3.44Å; S408-S412 PolarHBondContact O-OG 2.99Å
413	S	59.7	Low	76.2	Confident	68 Å²	68	41.2 Å²	41.2	48%	0.476	25%	0.25	S	C	.	.			trans	-65.2	168.8	163.4	62.1	0	0	0	0	110.3	G411 A415 G416 L417	G411-S413 PolarHBondContact O-N 2.63Å; S413-A415 PolarHBondContact O-N 3.03Å; S413-G416 WeakPolarHBondContact O-CA 3.46Å; S413-G416 PolarHBondContact O-N 2.95Å; S413-L417 PolarHBondContact O-N 3.32Å; S413-L417 VanDerWaalsContact O-N 3.15Å
414	A	57.2	Low	76	Confident	41 Å²	41	41 Å²	41	34%	0.339	25%	0.249	S	C	.	.	H	α-helix	trans	-51.5	-30.4	174.1	0	0	0	0	0	113.7	G416 T418 D457	A414-G416 VanDerWaalsContact C-N 3.34Å; A414-T418 CarbonylContact O-C 3.19Å; A414-T418 WeakPolarHBondContact O-CA 3.45Å; A414-T418 PolarHBondContact O-N 3.26Å; A414-T418 VanDerWaalsContact O-N 3.09Å; A414-T418 VanDerWaalsContact O-O 3.08Å; A414-T418 PolarHBondContact O-OG1 3.43Å; A414-D457 WeakPolarHBondContact CA-OD1 3.43Å; A414-D457 VanDerWaalsContact CB-OD1 3.24Å; A414-D457 WeakPolarHBondContact CB-OD1 3.22Å; A414-D457 PolarHBondContact N-OD1 3.33Å
415	A	60.8	Low	75.6	Confident	37 Å²	37	46 Å²	46	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-71.9	-25.7	173.3	0	0	0	0	0	113.9	S413 T418 S420	S413-A415 PolarHBondContact O-N 3.03Å; A415-T418 CarbonylContact C-O 3.58Å; A415-T418 VanDerWaalsContact O-O 3.12Å; A415-S420 WeakPolarHBondContact CB-OG 3.02Å
416	G	71.6	Confident	75.1	Confident	30 Å²	30	48.7 Å²	48.7	31%	0.309	30%	0.304	S	S	.	.	H	α-helix	trans	-83.6	-36.7	179.3	0	0	0	0	0	113.6	S413 A414 A436	S413-G416 WeakPolarHBondContact O-CA 3.46Å; S413-G416 PolarHBondContact O-N 2.95Å; A414-G416 VanDerWaalsContact C-N 3.34Å; G416-A436 VanDerWaalsContact O-CB 3.24Å; G416-A436 WeakPolarHBondContact O-CB 3.36Å; G416-A436 PolarHBondContact O-N 3.27Å
417	L	77.1	Confident	74.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-93.1	-44.9	-179	-165.5	126.2	0	0	0	112.6	S413 M437 I447 M453 I461	S413-L417 PolarHBondContact O-N 3.32Å; S413-L417 VanDerWaalsContact O-N 3.15Å; L417-M437 HydrophobicContact CD2-CG 4.25Å; L417-M437 HydrophobicContact CD2-SD 3.61Å; L417-M437 HydrophobicContact CG-CG 4.21Å; L417-M437 HydrophobicContact CG-SD 4.22Å; L417-M437 WeakPolarHBondContact O-CB 3.47Å; L417-M437 WeakPolarHBondContact O-CG 3.44Å; L417-M437 PolarHBondContact O-N 2.84Å; L417-I447 HydrophobicContact CD1-CD1 4.17Å; L417-M453 HydrophobicContact CD1-CE 4.15Å; L417-I461 HydrophobicContact CD1-CD1 4.08Å; L417-I461 HydrophobicContact CD2-CD1 3.67Å; L417-I461 HydrophobicContact CD2-CG1 3.44Å; L417-I461 VanDerWaalsContact CD2-CG1 3.44Å
418	T	80.8	Confident	73.7	Confident	12 Å²	12	57.9 Å²	57.9	7%	0.074	35%	0.346	C	S	.	.	S	Bend	trans	-105.5	175.7	177.4	75.5	0	0	0	0	110.6	A414 A415 G435 A460	A414-T418 CarbonylContact O-C 3.19Å; A414-T418 WeakPolarHBondContact O-CA 3.45Å; A414-T418 PolarHBondContact O-N 3.26Å; A414-T418 VanDerWaalsContact O-N 3.09Å; A414-T418 VanDerWaalsContact O-O 3.08Å; A414-T418 PolarHBondContact O-OG1 3.43Å; A415-T418 CarbonylContact C-O 3.58Å; A415-T418 VanDerWaalsContact O-O 3.12Å; T418-G435 WeakPolarHBondContact O-CA 3.43Å; T418-G435 PolarHBondContact O-N 2.74Å; T418-G435 VanDerWaalsContact O-N 3.16Å; T418-A460 HydrophobicContact CG2-CB 3.34Å
419	A	77.1	Confident	73.1	Confident	3 Å²	3	57.6 Å²	57.6	3%	0.025	35%	0.349	C	S	.	.			trans	-78.8	144.8	172.9	0	0	0	0	0	112	E433 V438 I472 L481	A419-E433 CarbonylContact C-O 3.58Å; A419-E433 WeakPolarHBondContact CA-O 3.38Å; A419-E433 WeakPolarHBondContact CB-O 3.14Å; A419-V438 HydrophobicContact CB-CG2 4.32Å; A419-I472 HydrophobicContact CB-CD1 3.5Å; A419-I472 VanDerWaalsContact CB-CD1 3.5Å; A419-I472 WeakPolarHBondContact O-CD1 3.42Å; A419-L481 HydrophobicContact CB-CD1 3.3Å
420	S	77.4	Confident	73.2	Confident	19 Å²	19	62.3 Å²	62.3	13%	0.133	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.2	175.2	69.5	0	0	0	0	111.3	A415 M432 E433	A415-S420 WeakPolarHBondContact CB-OG 3.02Å; S420-M432 WeakPolarHBondContact O-CA 3.47Å; S420-E433 PolarHBondContact N-O 2.96Å; S420-E433 PolarHBondContact O-N 2.96Å
421	V	79.6	Confident	73.1	Confident	30 Å²	30	58.5 Å²	58.5	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.3	174.1	-174.8	0	0	0	0	107.4	F430 I431 M432 I472 K474 I477	V421-F430 HydrophobicContact CG1-CB 3.78Å; V421-F430 HydrophobicContact CG1-CD1 3.92Å; V421-F430 HydrophobicContact CG1-CG 4.18Å; V421-I431 WeakPolarHBondContact CA-O 3.43Å; V421-M432 HydrophobicContact CG2-CG 4.26Å; V421-I472 HydrophobicContact CG2-CG2 4.06Å; V421-K474 HydrophobicContact CG2-CB 4.35Å; V421-I477 HydrophobicContact CG1-CD1 4.14Å
422	L	80.5	Confident	73.6	Confident	78 Å²	78	58.5 Å²	58.5	41%	0.408	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.4	176.6	-68.1	169.5	0	0	0	109.7	F430 I431 E433	L422-F430 CarbonylContact O-C 3.57Å; L422-F430 WeakPolarHBondContact O-CA 3.42Å; L422-I431 HydrophobicContact CB-CD1 4.35Å; L422-I431 HydrophobicContact CB-CG1 3.96Å; L422-I431 PolarHBondContact N-O 3.49Å; L422-I431 VanDerWaalsContact O-CG1 3.29Å; L422-I431 WeakPolarHBondContact O-CG1 3.33Å; L422-I431 PolarHBondContact O-N 2.84Å; L422-E433 HydrophobicContact CD1-CB 4.38Å; L422-E433 WeakPolarHBondContact CD1-OE2 3.27Å
423	R	81.8	Confident	74.2	Confident	158 Å²	158	61.4 Å²	61.4	60%	0.596	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.5	173.6	-169.2	178.4	-173.8	-174.3	2.5	108.8	P425 F430	R423-P425 WeakPolarHBondContact O-CD 3.46Å; R423-F430 HydrophobicContact CB-CD1 4.2Å; R423-F430 HydrophobicContact CB-CE1 4.2Å; R423-F430 HydrophobicContact CG-CD1 4.38Å; R423-F430 HydrophobicContact CG-CE1 4.23Å
424	D	77.1	Confident	74.8	Confident	15 Å²	15	59.5 Å²	59.5	8%	0.08	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-71	121.5	175.7	-174.7	-16.2	0	0	0	109.3	R230 A426 R428 G429 I431	R230-D424 IonicContact CZ-OD2 3.56Å; R230-D424 IonicContact NH1-OD2 2.69Å; R230-D424 IonicContact NH2-OD2 3.05Å; R230-D424 PolarHBondContact NH2-OD2 3.35Å; D424-A426 VanDerWaalsContact C-N 3.25Å; D424-A426 PolarHBondContact O-N 2.93Å; D424-A426 PolarHBondContact OD1-N 3.3Å; D424-R428 WeakPolarHBondContact O-CA 3.41Å; D424-R428 PolarHBondContact O-N 2.94Å; D424-G429 PolarHBondContact N-O 2.95Å; D424-I431 HydrophobicContact CB-CG2 4.46Å
425	P	77.6	Confident	75.9	Confident	120 Å²	120	57.6 Å²	57.6	78%	0.779	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.2	-179.1	25.2	-34.4	0	0	0	113.4	R423	R423-P425 WeakPolarHBondContact O-CD 3.46Å
426	A	74.6	Confident	76.9	Confident	88 Å²	88	56.1 Å²	56.1	73%	0.727	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-42.3	-175.5	0	0	0	0	0	112.8	D424	D424-A426 VanDerWaalsContact C-N 3.25Å; D424-A426 PolarHBondContact O-N 2.93Å; D424-A426 PolarHBondContact OD1-N 3.3Å
427	T	71.4	Confident	77.5	Confident	85 Å²	85	54.7 Å²	54.7	52%	0.521	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.3	-178	59.1	0	0	0	0	112.8	G429	T427-G429 PolarHBondContact O-N 3.42Å; T427-G429 PolarHBondContact OG1-N 3.44Å
428	R	76.3	Confident	77.8	Confident	187 Å²	187	55.8 Å²	55.8	71%	0.706	30%	0.304	S	S	*	.			trans	54.9	6.8	-168	-66.5	-176.2	173.6	-174.8	-1.5	114.4	D424	D424-R428 WeakPolarHBondContact O-CA 3.41Å; D424-R428 PolarHBondContact O-N 2.94Å
429	G	74.3	Confident	77.7	Confident	31 Å²	31	58.6 Å²	58.6	32%	0.32	32%	0.319	S	S	.	.			trans	-78.4	155.1	175.6	0	0	0	0	0	111.4	D424 T427	D424-G429 PolarHBondContact N-O 2.95Å; T427-G429 PolarHBondContact O-N 3.42Å; T427-G429 PolarHBondContact OG1-N 3.44Å
430	F	77.6	Confident	77.9	Confident	100 Å²	100	58.5 Å²	58.5	44%	0.439	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.8	171.2	-63.9	-73.3	0	0	0	108.9	V421 L422 R423 A475 I477	V421-F430 HydrophobicContact CG1-CB 3.78Å; V421-F430 HydrophobicContact CG1-CD1 3.92Å; V421-F430 HydrophobicContact CG1-CG 4.18Å; L422-F430 CarbonylContact O-C 3.57Å; L422-F430 WeakPolarHBondContact O-CA 3.42Å; R423-F430 HydrophobicContact CB-CD1 4.2Å; R423-F430 HydrophobicContact CB-CE1 4.2Å; R423-F430 HydrophobicContact CG-CD1 4.38Å; R423-F430 HydrophobicContact CG-CE1 4.23Å; F430-A475 HydrophobicContact CD1-CB 3.99Å; F430-A475 HydrophobicContact CE1-CB 3.67Å; F430-A475 HydrophobicContact CE2-CB 4.25Å; F430-A475 HydrophobicContact CG-CB 4.4Å; F430-A475 HydrophobicContact CZ-CB 3.83Å; F430-I477 HydrophobicContact CB-CD1 3.67Å; F430-I477 HydrophobicContact CG-CD1 4.38Å
431	I	75.9	Confident	78.2	Confident	45 Å²	45	58.5 Å²	58.5	23%	0.231	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.8	171.5	55.6	168.8	0	0	0	108.1	V421 L422 D424	V421-I431 WeakPolarHBondContact CA-O 3.43Å; L422-I431 HydrophobicContact CB-CD1 4.35Å; L422-I431 HydrophobicContact CB-CG1 3.96Å; L422-I431 PolarHBondContact N-O 3.49Å; L422-I431 VanDerWaalsContact O-CG1 3.29Å; L422-I431 WeakPolarHBondContact O-CG1 3.33Å; L422-I431 PolarHBondContact O-N 2.84Å; D424-I431 HydrophobicContact CB-CG2 4.46Å
432	M	73.8	Confident	78.1	Confident	66 Å²	66	58.1 Å²	58.1	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.7	172.6	-63.1	-159.7	-64	0	0	108.8	S420 V421 I477 T479 L481	S420-M432 WeakPolarHBondContact O-CA 3.47Å; V421-M432 HydrophobicContact CG2-CG 4.26Å; M432-I477 HydrophobicContact SD-CG2 4.11Å; M432-T479 HydrophobicContact CE-CG2 4.07Å; M432-T479 HydrophobicContact SD-CG2 4.4Å; M432-T479 PolarHBondContact SD-OG1 2.92Å; M432-L481 HydrophobicContact CE-CD2 4.42Å
433	E	75.7	Confident	78.5	Confident	77 Å²	77	54.5 Å²	54.5	36%	0.36	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.5	169.8	-173.4	171.6	-177	0	0	108	A419 S420 L422	A419-E433 CarbonylContact C-O 3.58Å; A419-E433 WeakPolarHBondContact CA-O 3.38Å; A419-E433 WeakPolarHBondContact CB-O 3.14Å; S420-E433 PolarHBondContact N-O 2.96Å; S420-E433 PolarHBondContact O-N 2.96Å; L422-E433 HydrophobicContact CD1-CB 4.38Å; L422-E433 WeakPolarHBondContact CD1-OE2 3.27Å
434	G	72.9	Confident	78.9	Confident	27 Å²	27	47.1 Å²	47.1	28%	0.278	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-76	128.1	178.2	0	0	0	0	0	111.1
435	G	80.8	Confident	79.5	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.021	27%	0.268	C	S	.	.			trans	-72.7	177.6	171.7	0	0	0	0	0	113.1	T418 M437 V438 L439	T418-G435 WeakPolarHBondContact O-CA 3.43Å; T418-G435 PolarHBondContact O-N 2.74Å; T418-G435 VanDerWaalsContact O-N 3.16Å; G435-M437 PolarHBondContact O-N 3.46Å; G435-M437 VanDerWaalsContact O-N 3.15Å; G435-V438 PolarHBondContact O-N 3.29Å; G435-L439 WeakPolarHBondContact O-CG 3.47Å; G435-L439 PolarHBondContact O-N 3.41Å
436	A	81.8	Confident	80.3	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	23%	0.231	C	C	.	.	H	α-helix	trans	-50.7	-40	-178.4	0	0	0	0	0	113.5	V405 T407 G416 V438 L439 A440	V405-A436 HydrophobicContact CG1-CB 3.74Å; T407-A436 HydrophobicContact CG2-CB 3.44Å; T407-A436 VanDerWaalsContact CG2-CB 3.44Å; G416-A436 VanDerWaalsContact O-CB 3.24Å; G416-A436 WeakPolarHBondContact O-CB 3.36Å; G416-A436 PolarHBondContact O-N 3.27Å; A436-V438 PolarHBondContact O-N 3.05Å; A436-L439 PolarHBondContact O-N 2.77Å; A436-A440 VanDerWaalsContact O-CB 3.23Å; A436-A440 WeakPolarHBondContact O-CB 3.33Å; A436-A440 PolarHBondContact O-N 3.08Å
437	M	83.4	Confident	81.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-33.6	179.4	-64.9	-171.7	77.3	0	0	113.3	L417 G435 V445 I461 A464 I470 C485 V487	L417-M437 HydrophobicContact CD2-CG 4.25Å; L417-M437 HydrophobicContact CD2-SD 3.61Å; L417-M437 HydrophobicContact CG-CG 4.21Å; L417-M437 HydrophobicContact CG-SD 4.22Å; L417-M437 WeakPolarHBondContact O-CB 3.47Å; L417-M437 WeakPolarHBondContact O-CG 3.44Å; L417-M437 PolarHBondContact O-N 2.84Å; G435-M437 PolarHBondContact O-N 3.46Å; G435-M437 VanDerWaalsContact O-N 3.15Å; M437-V445 HydrophobicContact CG-CG2 4.46Å; M437-I461 HydrophobicContact SD-CG1 4.27Å; M437-A464 HydrophobicContact CE-CB 3.45Å; M437-A464 VanDerWaalsContact CE-CB 3.45Å; M437-A464 HydrophobicContact SD-CB 4.07Å; M437-I470 HydrophobicContact CB-CD1 4.22Å; M437-C485 VanDerWaalsContact CE-SG 3.52Å; M437-V487 HydrophobicContact CE-CG2 4.47Å
438	V	82.8	Confident	82	Confident	23 Å²	23	33.2 Å²	33.2	14%	0.139	18%	0.176	C	C	.	.	H	α-helix	trans	-77.3	-35.4	178.5	-178.4	0	0	0	0	110.4	R311 A419 G435 A436 A440 D441 I470 L481	R311-V438 PolarHBondContact NH2-O 2.77Å; A419-V438 HydrophobicContact CB-CG2 4.32Å; G435-V438 PolarHBondContact O-N 3.29Å; A436-V438 PolarHBondContact O-N 3.05Å; V438-A440 VanDerWaalsContact C-N 3.31Å; V438-D441 PolarHBondContact O-N 3.2Å; V438-I470 HydrophobicContact CG2-CD1 4.25Å; V438-L481 HydrophobicContact CG2-CB 4.23Å; V438-L481 HydrophobicContact CG2-CD1 4.2Å
439	L	79.6	Confident	82.6	Confident	71 Å²	71	26.5 Å²	26.5	37%	0.372	15%	0.152	S	C	.	.	H	α-helix	trans	-66.2	-36.9	173.3	-64.7	173.7	0	0	0	111.4	G435 A436 D441	G435-L439 WeakPolarHBondContact O-CG 3.47Å; G435-L439 PolarHBondContact O-N 3.41Å; A436-L439 PolarHBondContact O-N 2.77Å; L439-D441 VanDerWaalsContact C-N 3.26Å; L439-D441 PolarHBondContact O-N 3.39Å
440	A	81.6	Confident	83.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	22.2	178.5	0	0	0	0	0	114.6	V405 A436 V438 G442 G443 V445 C485	V405-A440 HydrophobicContact CB-CB 4.34Å; V405-A440 HydrophobicContact CG2-CB 3.87Å; A436-A440 VanDerWaalsContact O-CB 3.23Å; A436-A440 WeakPolarHBondContact O-CB 3.33Å; A436-A440 PolarHBondContact O-N 3.08Å; V438-A440 VanDerWaalsContact C-N 3.31Å; A440-G442 PolarHBondContact O-N 3.06Å; A440-G443 WeakPolarHBondContact O-CA 3.36Å; A440-G443 PolarHBondContact O-N 2.67Å; A440-V445 HydrophobicContact CB-CG2 3.32Å; A440-C485 HydrophobicContact CB-CB 4.42Å; A440-C485 WeakPolarHBondContact O-CB 3.37Å
441	D	82.7	Confident	83.7	Confident	20 Å²	20	22.3 Å²	22.3	11%	0.107	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	124.5	177	-175.9	42.4	0	0	0	111.4	I403 V438 L439 G443 R484	I403-D441 VanDerWaalsContact CD1-O 3.32Å; I403-D441 WeakPolarHBondContact CD1-O 3.41Å; V438-D441 PolarHBondContact O-N 3.2Å; L439-D441 VanDerWaalsContact C-N 3.26Å; L439-D441 PolarHBondContact O-N 3.39Å; D441-G443 VanDerWaalsContact C-N 3.29Å; D441-R484 WeakPolarHBondContact OD1-CA 3.2Å; D441-R484 WeakPolarHBondContact OD1-CB 3.33Å; D441-R484 WeakPolarHBondContact OD1-CG 3.46Å; D441-R484 IonicContact OD1-CZ 3.79Å; D441-R484 PolarHBondContact OD1-N 2.79Å; D441-R484 IonicContact OD1-NE 2.69Å; D441-R484 PolarHBondContact OD1-NE 3.27Å; D441-R484 IonicContact OD1-NH2 3.58Å; D441-R484 IonicContact OD2-CZ 3.71Å; D441-R484 IonicContact OD2-NE 3.43Å; D441-R484 PolarHBondContact OD2-NE 2.99Å; D441-R484 IonicContact OD2-NH2 2.61Å; D441-R484 PolarHBondContact OD2-NH2 3.1Å
442	G	78.9	Confident	84.1	Confident	22 Å²	22	24 Å²	24	23%	0.227	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	6.5	-171.7	0	0	0	0	0	114.2	A440 R484 R570	A440-G442 PolarHBondContact O-N 3.06Å; G442-R484 WeakPolarHBondContact CA-O 3.23Å; G442-R484 PolarHBondContact N-O 2.88Å; G442-R570 PolarHBondContact O-NH1 3.06Å; G442-R570 PolarHBondContact O-NH2 3.47Å
443	G	87.3	Confident	84.6	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.01	12%	0.12	C	C	.	.	S	Bend	trans	-115.1	-157.5	-172.4	0	0	0	0	0	115.3	I403 A440 D441 S486	I403-G443 WeakPolarHBondContact O-CA 3.47Å; A440-G443 WeakPolarHBondContact O-CA 3.36Å; A440-G443 PolarHBondContact O-N 2.67Å; D441-G443 VanDerWaalsContact C-N 3.29Å; G443-S486 PolarHBondContact O-N 3.35Å
444	V	90.4	Very high	84.9	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.024	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.8	172.3	179.6	0	0	0	0	109.1	L359 L360 V397 A401 I403 G404 V405 S486 L488	L359-V444 HydrophobicContact CD2-CG1 4.03Å; L360-V444 HydrophobicContact CD2-CG2 4.21Å; V397-V444 HydrophobicContact CG1-CG1 4.15Å; A401-V444 HydrophobicContact CB-CB 4.23Å; A401-V444 HydrophobicContact CB-CG2 4.29Å; I403-V444 PolarHBondContact O-N 3.13Å; G404-V444 WeakPolarHBondContact CA-O 3.29Å; V405-V444 PolarHBondContact N-O 3.07Å; V444-S486 CarbonylContact C-O 3.53Å; V444-S486 WeakPolarHBondContact CA-O 3.44Å; V444-L488 HydrophobicContact CG1-CB 4.27Å
445	V	91.2	Very high	85.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122	171.2	179.1	0	0	0	0	107.9	M437 A440 I447 C485 S486 L488	M437-V445 HydrophobicContact CG-CG2 4.46Å; A440-V445 HydrophobicContact CB-CG2 3.32Å; V445-I447 HydrophobicContact CG1-CD1 4.34Å; V445-I447 HydrophobicContact CG1-CG1 3.87Å; V445-C485 HydrophobicContact CG2-CB 3.79Å; V445-S486 PolarHBondContact N-O 3.38Å; V445-L488 PolarHBondContact O-N 3.31Å
446	C	92.8	Very high	85.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.8	175.1	-65.1	0	0	0	0	108.8	L394 V405 Y406 T407 L488	L394-C446 HydrophobicContact CB-CB 4.28Å; L394-C446 HydrophobicContact CD2-CB 4.09Å; V405-C446 PolarHBondContact O-N 3.14Å; Y406-C446 HydrophobicContact CD2-CB 4.17Å; T407-C446 PolarHBondContact N-O 2.94Å; T407-C446 PolarHBondContact OG1-O 2.68Å; C446-L488 CarbonylContact C-O 3.55Å; C446-L488 WeakPolarHBondContact CA-O 3.29Å
447	I	91.8	Very high	85.3	Confident	1 Å²	1	38 Å²	38	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.2	179.3	-50.3	176.8	0	0	0	108.4	T407 L417 V445 F450 M453 I461 V487 L488 A489 A490	T407-I447 WeakPolarHBondContact O-CA 3.44Å; L417-I447 HydrophobicContact CD1-CD1 4.17Å; V445-I447 HydrophobicContact CG1-CD1 4.34Å; V445-I447 HydrophobicContact CG1-CG1 3.87Å; I447-F450 HydrophobicContact CD1-CD2 4.45Å; I447-F450 HydrophobicContact CG2-CB 4.44Å; I447-F450 HydrophobicContact CG2-CD2 4.15Å; I447-M453 HydrophobicContact CG2-SD 4.22Å; I447-I461 HydrophobicContact CD1-CD1 4.11Å; I447-V487 HydrophobicContact CD1-CG1 3.9Å; I447-V487 HydrophobicContact CG1-CG1 4.48Å; I447-L488 PolarHBondContact N-O 3.09Å; I447-A489 CarbonylContact O-C 3.58Å; I447-A489 WeakPolarHBondContact O-CA 3.17Å; I447-A490 PolarHBondContact O-N 2.86Å
448	D	91.6	Very high	85.2	Confident	15 Å²	15	40.5 Å²	40.5	8%	0.08	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.7	169.6	-158.1	-1.1	0	0	0	110.7	S391 L394 Y406 T407 G409 F450	S391-D448 VanDerWaalsContact CB-OD2 3.26Å; S391-D448 WeakPolarHBondContact CB-OD2 3.47Å; S391-D448 PolarHBondContact OG-OD2 3.24Å; L394-D448 HydrophobicContact CD1-CB 3.68Å; Y406-D448 HydrophobicContact CE2-CB 4.01Å; Y406-D448 PolarHBondContact OH-OD2 3.44Å; T407-D448 PolarHBondContact O-N 2.85Å; G409-D448 PolarHBondContact N-O 2.92Å; D448-F450 VanDerWaalsContact C-N 3.33Å; D448-F450 PolarHBondContact O-N 2.69Å
449	E	88.6	Confident	85.2	Confident	46 Å²	46	44 Å²	44	22%	0.215	22%	0.217	C	C	.	.			trans	52.1	47.7	-176.3	-58.5	-166	127.5	0	0	113.3	K410 D451 K452 A490	K410-E449 WeakPolarHBondContact CD-OE2 3.3Å; E449-D451 VanDerWaalsContact C-OD1 3.28Å; E449-D451 WeakPolarHBondContact CA-OD1 3.38Å; E449-D451 PolarHBondContact O-N 3.43Å; E449-K452 HydrophobicContact CB-CB 4.38Å; E449-K452 HydrophobicContact CB-CD 3.89Å; E449-K452 HydrophobicContact CG-CD 4.14Å; E449-K452 PolarHBondContact O-N 3.3Å; E449-K452 IonicContact OE1-NZ 2.64Å; E449-K452 PolarHBondContact OE1-NZ 2.81Å; E449-A490 PolarHBondContact N-O 3.38Å
450	F	87.9	Confident	85.3	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.013	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.5	-26.9	179.8	-177.2	-101.4	0	0	0	112.9	L381 I447 D448 K452 M453 I461 A489 A490 A491 F509 I513 F517	L381-F450 HydrophobicContact CD1-CD1 4.47Å; I447-F450 HydrophobicContact CD1-CD2 4.45Å; I447-F450 HydrophobicContact CG2-CB 4.44Å; I447-F450 HydrophobicContact CG2-CD2 4.15Å; D448-F450 VanDerWaalsContact C-N 3.33Å; D448-F450 PolarHBondContact O-N 2.69Å; F450-K452 VanDerWaalsContact C-N 3.31Å; F450-K452 PolarHBondContact O-N 2.88Å; F450-M453 HydrophobicContact CD2-SD 3.65Å; F450-M453 HydrophobicContact CE2-SD 3.87Å; F450-I461 HydrophobicContact CE2-CD1 4.06Å; F450-A489 HydrophobicContact CB-CB 4.15Å; F450-A489 HydrophobicContact CD2-CB 4.18Å; F450-A489 HydrophobicContact CG-CB 4.06Å; F450-A490 WeakPolarHBondContact CB-O 3.48Å; F450-A490 PolarHBondContact N-O 2.99Å; F450-A491 HydrophobicContact CB-CB 4.29Å; F450-F509 HydrophobicContact CD1-CD1 4.39Å; F450-F509 AromaticContact CD1-CE1 3.55Å; F450-F509 HydrophobicContact CD1-CE1 3.55Å; F450-F509 AromaticContact CD1-CZ 3.67Å; F450-F509 HydrophobicContact CD1-CZ 3.67Å; F450-F509 HydrophobicContact CE1-CD1 4.16Å; F450-F509 AromaticContact CE1-CE1 3.74Å; F450-F509 HydrophobicContact CE1-CE1 3.74Å; F450-F509 HydrophobicContact CE1-CZ 4.23Å; F450-I513 HydrophobicContact CE1-CG2 3.88Å; F450-I513 HydrophobicContact CZ-CG2 3.94Å; F450-F517 HydrophobicContact CE1-CE2 4.2Å; F450-F517 HydrophobicContact CE1-CZ 4.4Å; F450-F517 HydrophobicContact CZ-CE2 4.24Å; F450-F517 HydrophobicContact CZ-CZ 4.22Å
451	D	86.2	Confident	85.4	Confident	39 Å²	39	41.7 Å²	41.7	21%	0.209	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.5	-36.3	173.4	58.5	-52.7	0	0	0	112.9	E449 M453 R458 A491 F509	E449-D451 VanDerWaalsContact C-OD1 3.28Å; E449-D451 WeakPolarHBondContact CA-OD1 3.38Å; E449-D451 PolarHBondContact O-N 3.43Å; D451-M453 VanDerWaalsContact C-N 3.32Å; D451-M453 PolarHBondContact O-N 2.76Å; D451-R458 PolarHBondContact O-NH2 3.34Å; D451-A491 HydrophobicContact CB-CB 4.5Å; D451-F509 HydrophobicContact CB-CE1 4.49Å; D451-F509 HydrophobicContact CB-CZ 4.03Å
452	K	84.8	Confident	85.6	Confident	81 Å²	81	42.3 Å²	42.3	35%	0.352	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-91.7	12.8	-171.8	-71.6	144	161.8	-178.8	0	114.5	K410 E449 F450	K410-K452 HydrophobicContact CD-CB 4.08Å; K410-K452 HydrophobicContact CD-CD 4.17Å; K410-K452 HydrophobicContact CD-CG 4.42Å; K410-K452 VanDerWaalsContact CE-CG 3.46Å; K410-K452 HydrophobicContact CG-CB 3.52Å; K410-K452 HydrophobicContact CG-CD 4.42Å; K410-K452 HydrophobicContact CG-CG 4.38Å; E449-K452 HydrophobicContact CB-CB 4.38Å; E449-K452 HydrophobicContact CB-CD 3.89Å; E449-K452 HydrophobicContact CG-CD 4.14Å; E449-K452 PolarHBondContact O-N 3.3Å; E449-K452 IonicContact OE1-NZ 2.64Å; E449-K452 PolarHBondContact OE1-NZ 2.81Å; F450-K452 VanDerWaalsContact C-N 3.31Å; F450-K452 PolarHBondContact O-N 2.88Å
453	M	83.8	Confident	85.9	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.049	21%	0.208	C	C	.	.			trans	-71.1	147.2	177	-75.1	-166.5	54.7	0	0	113.1	L417 I447 F450 D451 D457 R458 I461	L417-M453 HydrophobicContact CD1-CE 4.15Å; I447-M453 HydrophobicContact CG2-SD 4.22Å; F450-M453 HydrophobicContact CD2-SD 3.65Å; F450-M453 HydrophobicContact CE2-SD 3.87Å; D451-M453 VanDerWaalsContact C-N 3.32Å; D451-M453 PolarHBondContact O-N 2.76Å; M453-D457 HydrophobicContact CE-CB 3.49Å; M453-D457 VanDerWaalsContact CE-CB 3.49Å; M453-R458 HydrophobicContact CB-CG 4.33Å; M453-R458 PolarHBondContact O-NE 3.38Å; M453-I461 HydrophobicContact CE-CD1 3.4Å; M453-I461 HydrophobicContact CE-CG1 4.44Å; M453-I461 HydrophobicContact SD-CD1 3.78Å
454	R	83.2	Confident	85.9	Confident	177 Å²	177	43.5 Å²	43.5	67%	0.668	21%	0.209	S	C	*	.			trans	-69	151.9	172.5	-63.3	177.3	-179.1	-99.3	-1.4	111.2	D456 D457 R458	R454-D456 PolarHBondContact O-N 3.21Å; R454-D457 PolarHBondContact O-N 2.88Å; R454-R458 WeakPolarHBondContact O-CG 3.5Å; R454-R458 PolarHBondContact O-N 3.14Å
455	E	82	Confident	85.8	Confident	149 Å²	149	43.7 Å²	43.7	70%	0.696	21%	0.209	S	C	*	.	H	α-helix	trans	-63.3	-38.7	-178.4	-65.7	-177.5	167.9	0	0	113.5	D457 R458 V459	E455-D457 VanDerWaalsContact C-N 3.29Å; E455-D457 PolarHBondContact O-N 3.13Å; E455-R458 WeakPolarHBondContact O-CB 3.37Å; E455-R458 PolarHBondContact O-N 3.4Å; E455-R458 VanDerWaalsContact O-N 3.1Å; E455-V459 PolarHBondContact O-N 3.16Å; E455-V459 VanDerWaalsContact O-N 3.15Å
456	D	79.3	Confident	85.3	Confident	133 Å²	133	47.6 Å²	47.6	71%	0.711	23%	0.227	S	C	*	.	H	α-helix	trans	-58	-41.7	177.1	-66.6	-24.3	0	0	0	112.1	R454 R458 V459 A460	R454-D456 PolarHBondContact O-N 3.21Å; D456-R458 VanDerWaalsContact C-N 3.34Å; D456-V459 PolarHBondContact O-N 2.88Å; D456-A460 PolarHBondContact O-N 3.45Å
457	D	80.9	Confident	84.9	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-72.2	-31.4	179.5	-60.5	-40.2	0	0	0	111.3	A414 M453 R454 E455 V459 A460 I461	A414-D457 WeakPolarHBondContact CA-OD1 3.43Å; A414-D457 VanDerWaalsContact CB-OD1 3.24Å; A414-D457 WeakPolarHBondContact CB-OD1 3.22Å; A414-D457 PolarHBondContact N-OD1 3.33Å; M453-D457 HydrophobicContact CE-CB 3.49Å; M453-D457 VanDerWaalsContact CE-CB 3.49Å; R454-D457 PolarHBondContact O-N 2.88Å; E455-D457 VanDerWaalsContact C-N 3.29Å; E455-D457 PolarHBondContact O-N 3.13Å; D457-V459 VanDerWaalsContact C-N 3.34Å; D457-A460 PolarHBondContact O-N 3.48Å; D457-I461 WeakPolarHBondContact O-CG1 3.16Å; D457-I461 PolarHBondContact O-N 3.19Å
458	R	81.6	Confident	84.7	Confident	51 Å²	51	53.7 Å²	53.7	19%	0.192	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-39.8	173.5	-67.1	174.8	-177	-170.7	-4.8	111.2	D451 M453 R454 E455 D456 I461 H462	D451-R458 PolarHBondContact O-NH2 3.34Å; M453-R458 HydrophobicContact CB-CG 4.33Å; M453-R458 PolarHBondContact O-NE 3.38Å; R454-R458 WeakPolarHBondContact O-CG 3.5Å; R454-R458 PolarHBondContact O-N 3.14Å; E455-R458 WeakPolarHBondContact O-CB 3.37Å; E455-R458 PolarHBondContact O-N 3.4Å; E455-R458 VanDerWaalsContact O-N 3.1Å; D456-R458 VanDerWaalsContact C-N 3.34Å; R458-I461 PolarHBondContact O-N 3.14Å; R458-H462 PolarHBondContact O-CD2 3.46Å; R458-H462 PolarHBondContact O-N 3.3Å
459	V	83.1	Confident	84.5	Confident	98 Å²	98	54.6 Å²	54.6	59%	0.594	26%	0.262	S	S	*	.	H	α-helix	trans	-63	-43.3	176.7	178.7	0	0	0	0	111.4	E455 D456 D457 H462 E463	E455-V459 PolarHBondContact O-N 3.16Å; E455-V459 VanDerWaalsContact O-N 3.15Å; D456-V459 PolarHBondContact O-N 2.88Å; D457-V459 VanDerWaalsContact C-N 3.34Å; V459-H462 WeakPolarHBondContact O-CB 3.44Å; V459-H462 PolarHBondContact O-N 3.27Å; V459-E463 PolarHBondContact O-N 2.93Å
460	A	81.4	Confident	84.3	Confident	17 Å²	17	52.6 Å²	52.6	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-36.4	178.7	0	0	0	0	0	112.6	T418 D456 D457 H462 E463 A464	T418-A460 HydrophobicContact CG2-CB 3.34Å; D456-A460 PolarHBondContact O-N 3.45Å; D457-A460 PolarHBondContact O-N 3.48Å; A460-H462 VanDerWaalsContact C-N 3.3Å; A460-H462 PolarHBondContact O-N 3.17Å; A460-E463 PolarHBondContact O-N 2.8Å; A460-A464 WeakPolarHBondContact O-CB 3.4Å; A460-A464 PolarHBondContact O-N 2.64Å
461	I	85.1	Confident	84.2	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-37.7	172.3	-72.5	-178.5	0	0	0	111.2	L417 M437 I447 F450 M453 D457 R458 E463 A464 M465	L417-I461 HydrophobicContact CD1-CD1 4.08Å; L417-I461 HydrophobicContact CD2-CD1 3.67Å; L417-I461 HydrophobicContact CD2-CG1 3.44Å; L417-I461 VanDerWaalsContact CD2-CG1 3.44Å; M437-I461 HydrophobicContact SD-CG1 4.27Å; I447-I461 HydrophobicContact CD1-CD1 4.11Å; F450-I461 HydrophobicContact CE2-CD1 4.06Å; M453-I461 HydrophobicContact CE-CD1 3.4Å; M453-I461 HydrophobicContact CE-CG1 4.44Å; M453-I461 HydrophobicContact SD-CD1 3.78Å; D457-I461 WeakPolarHBondContact O-CG1 3.16Å; D457-I461 PolarHBondContact O-N 3.19Å; R458-I461 PolarHBondContact O-N 3.14Å; I461-E463 VanDerWaalsContact C-N 3.28Å; I461-E463 PolarHBondContact O-N 3.46Å; I461-A464 PolarHBondContact O-N 3.07Å; I461-M465 HydrophobicContact CG2-CG 3.8Å; I461-M465 HydrophobicContact CG2-SD 3.38Å; I461-M465 WeakPolarHBondContact CG2-SD 3.25Å; I461-M465 WeakPolarHBondContact O-CB 3.37Å; I461-M465 WeakPolarHBondContact O-CG 3.32Å; I461-M465 PolarHBondContact O-N 2.97Å
462	H	85.5	Confident	84.1	Confident	34 Å²	34	54.3 Å²	54.3	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-40.1	177.1	-79.8	-61.3	0	0	0	113	R458 V459 A460 E466 I513 R516	R458-H462 PolarHBondContact O-CD2 3.46Å; R458-H462 PolarHBondContact O-N 3.3Å; V459-H462 WeakPolarHBondContact O-CB 3.44Å; V459-H462 PolarHBondContact O-N 3.27Å; A460-H462 VanDerWaalsContact C-N 3.3Å; A460-H462 PolarHBondContact O-N 3.17Å; H462-E466 WeakPolarHBondContact O-CB 3.29Å; H462-E466 PolarHBondContact O-N 3.04Å; H462-I513 WeakPolarHBondContact CE1-CG1 3.45Å; H462-I513 WeakPolarHBondContact NE2-CG1 3.47Å; H462-R516 PolarHBondContact CE1-NH1 3.5Å; H462-R516 VanDerWaalsContact CE1-NH1 3.33Å; H462-R516 PolarHBondContact ND1-NH1 3.15Å
463	E	86.3	Confident	84	Confident	46 Å²	46	54.5 Å²	54.5	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-70	-50.7	174.4	-170.3	-172.5	165.4	0	0	110.6	V459 A460 I461 M465 E466 Q467 S471	V459-E463 PolarHBondContact O-N 2.93Å; A460-E463 PolarHBondContact O-N 2.8Å; I461-E463 VanDerWaalsContact C-N 3.28Å; I461-E463 PolarHBondContact O-N 3.46Å; E463-M465 PolarHBondContact O-N 3.32Å; E463-E466 PolarHBondContact O-N 2.79Å; E463-Q467 PolarHBondContact O-N 3.02Å; E463-S471 WeakPolarHBondContact OE1-CB 3.45Å; E463-S471 PolarHBondContact OE1-N 3.49Å; E463-S471 PolarHBondContact OE1-OG 2.87Å
464	A	86.9	Confident	84	Confident	2 Å²	2	59.9 Å²	59.9	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-40.5	-176.2	0	0	0	0	0	113.1	M437 A460 I461 Q468 I470	M437-A464 HydrophobicContact CE-CB 3.45Å; M437-A464 VanDerWaalsContact CE-CB 3.45Å; M437-A464 HydrophobicContact SD-CB 4.07Å; A460-A464 WeakPolarHBondContact O-CB 3.4Å; A460-A464 PolarHBondContact O-N 2.64Å; I461-A464 PolarHBondContact O-N 3.07Å; A464-Q468 WeakPolarHBondContact O-CA 3.42Å; A464-Q468 PolarHBondContact O-N 3.09Å; A464-I470 HydrophobicContact CB-CD1 4.26Å; A464-I470 HydrophobicContact CB-CG1 3.83Å
465	M	87.7	Confident	83.8	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-71.3	-32.4	178.2	-70.8	178.5	75.9	0	0	112.5	R375 N379 I461 E463 V487 R516 F517	R375-M465 PolarHBondContact NH1-O 3.18Å; N379-M465 HydrophobicContact CB-CE 3.93Å; N379-M465 VanDerWaalsContact CG-CE 3.5Å; N379-M465 WeakPolarHBondContact ND2-CE 3.43Å; I461-M465 HydrophobicContact CG2-CG 3.8Å; I461-M465 HydrophobicContact CG2-SD 3.38Å; I461-M465 WeakPolarHBondContact CG2-SD 3.25Å; I461-M465 WeakPolarHBondContact O-CB 3.37Å; I461-M465 WeakPolarHBondContact O-CG 3.32Å; I461-M465 PolarHBondContact O-N 2.97Å; E463-M465 PolarHBondContact O-N 3.32Å; M465-V487 HydrophobicContact CG-CG2 4.14Å; M465-R516 HydrophobicContact CE-CB 4.08Å; M465-F517 HydrophobicContact CE-CD1 3.96Å; M465-F517 HydrophobicContact CE-CD2 4.34Å; M465-F517 HydrophobicContact CE-CE1 3.71Å; M465-F517 HydrophobicContact CE-CE2 4.12Å; M465-F517 HydrophobicContact CE-CG 4.27Å; M465-F517 HydrophobicContact CE-CZ 3.8Å; M465-F517 HydrophobicContact SD-CZ 4.34Å
466	E	81.9	Confident	83.5	Confident	81 Å²	81	51.2 Å²	51.2	38%	0.379	31%	0.307	S	S	.	.	H	α-helix	trans	-81.7	-51.1	-178	-167.7	74.2	-167.8	0	0	111.6	H462 E463 R516 R614	H462-E466 WeakPolarHBondContact O-CB 3.29Å; H462-E466 PolarHBondContact O-N 3.04Å; E463-E466 PolarHBondContact O-N 2.79Å; E466-R516 IonicContact OE2-NE 2.8Å; E466-R516 PolarHBondContact OE2-NE 2.71Å; E466-R614 IonicContact OE1-CZ 3.17Å; E466-R614 IonicContact OE1-NE 3.59Å; E466-R614 PolarHBondContact OE1-NE 2.98Å; E466-R614 IonicContact OE1-NH2 3.03Å; E466-R614 PolarHBondContact OE1-NH2 2.79Å; E466-R614 IonicContact OE2-CZ 3.61Å; E466-R614 VanDerWaalsContact OE2-CZ 3.28Å; E466-R614 IonicContact OE2-NE 2.77Å; E466-R614 IonicContact OE2-NH1 3.17Å; E466-R614 IonicContact OE2-NH2 2.63Å; E466-R614 PolarHBondContact OE2-NH2 2.79Å
467	Q	84.4	Confident	83.5	Confident	122 Å²	122	46.9 Å²	46.9	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-99.1	-14.8	-171	-63.5	-179.6	-6.7	0	0	112.9	E463 T469	E463-Q467 PolarHBondContact O-N 3.02Å; Q467-T469 WeakPolarHBondContact CB-OG1 3.21Å; Q467-T469 PolarHBondContact O-N 3.32Å
468	Q	86.4	Confident	83.7	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.037	32%	0.318	C	S	.	.	S	Bend	trans	57.8	27.6	-172.4	-48.7	-165.8	-69.4	0	0	113	R375 D377 A464 S483 R484	R375-Q468 HydrophobicContact CG-CG 4.33Å; D377-Q468 PolarHBondContact OD2-NE2 2.97Å; A464-Q468 WeakPolarHBondContact O-CA 3.42Å; A464-Q468 PolarHBondContact O-N 3.09Å; Q468-S483 CarbonylContact O-C 3.48Å; Q468-S483 PolarHBondContact O-N 3.4Å; Q468-R484 HydrophobicContact CB-CG 4.37Å
469	T	86.8	Confident	83.7	Confident	34 Å²	34	52.1 Å²	52.1	21%	0.209	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.9	176.9	55.3	0	0	0	0	108.9	Q467 L481 S483	Q467-T469 WeakPolarHBondContact CB-OG1 3.21Å; Q467-T469 PolarHBondContact O-N 3.32Å; T469-L481 CarbonylContact C-O 3.45Å; T469-L481 VanDerWaalsContact CA-O 3.29Å; T469-L481 WeakPolarHBondContact CA-O 3.33Å; T469-S483 PolarHBondContact N-OG 3.07Å
470	I	86.1	Confident	83.7	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.6	172.7	-62.4	165.5	0	0	0	106.4	M437 V438 A464 I472 L481	M437-I470 HydrophobicContact CB-CD1 4.22Å; V438-I470 HydrophobicContact CG2-CD1 4.25Å; A464-I470 HydrophobicContact CB-CD1 4.26Å; A464-I470 HydrophobicContact CB-CG1 3.83Å; I470-I472 HydrophobicContact CG2-CD1 4.45Å; I470-I472 HydrophobicContact CG2-CG1 4.12Å; I470-L481 PolarHBondContact N-O 3.35Å; I470-L481 PolarHBondContact O-N 2.87Å
471	S	85.2	Confident	83.7	Confident	65 Å²	65	53.1 Å²	53.1	46%	0.455	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.6	172.8	63.5	0	0	0	0	110.5	E463	E463-S471 WeakPolarHBondContact OE1-CB 3.45Å; E463-S471 PolarHBondContact OE1-N 3.49Å; E463-S471 PolarHBondContact OE1-OG 2.87Å
472	I	84.3	Confident	83.6	Confident	13 Å²	13	57.1 Å²	57.1	7%	0.067	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.6	175.3	-60.5	177.9	0	0	0	108	A419 V421 I470 K474 I477 T478 T479 L481	A419-I472 HydrophobicContact CB-CD1 3.5Å; A419-I472 VanDerWaalsContact CB-CD1 3.5Å; A419-I472 WeakPolarHBondContact O-CD1 3.42Å; V421-I472 HydrophobicContact CG2-CG2 4.06Å; I470-I472 HydrophobicContact CG2-CD1 4.45Å; I470-I472 HydrophobicContact CG2-CG1 4.12Å; I472-K474 HydrophobicContact CG2-CB 3.99Å; I472-K474 HydrophobicContact CG2-CD 4.21Å; I472-K474 HydrophobicContact CG2-CG 4.01Å; I472-I477 VanDerWaalsContact O-O 3.04Å; I472-T478 WeakPolarHBondContact O-CA 3.08Å; I472-T479 PolarHBondContact N-O 3.46Å; I472-T479 PolarHBondContact O-N 3.27Å; I472-L481 HydrophobicContact CD1-CD1 4.25Å
473	A	82.6	Confident	83.5	Confident	84 Å²	84	55.5 Å²	55.5	69%	0.694	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	75.2	171.7	0	0	0	0	0	109.1	I477 T478	A473-I477 WeakPolarHBondContact CA-O 3.47Å; A473-T478 HydrophobicContact CB-CG2 4.1Å
474	K	83.3	Confident	83.5	Confident	124 Å²	124	57.7 Å²	57.7	54%	0.539	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.5	-178.3	-69.2	-177.3	-178.9	173.9	0	110.7	V421 I472 G476 I477	V421-K474 HydrophobicContact CG2-CB 4.35Å; I472-K474 HydrophobicContact CG2-CB 3.99Å; I472-K474 HydrophobicContact CG2-CD 4.21Å; I472-K474 HydrophobicContact CG2-CG 4.01Å; K474-G476 PolarHBondContact O-N 3.38Å; K474-G476 VanDerWaalsContact O-N 3.15Å; K474-I477 PolarHBondContact N-O 3.42Å; K474-I477 VanDerWaalsContact N-O 3.09Å; K474-I477 PolarHBondContact O-N 3.01Å
475	A	78.6	Confident	83.5	Confident	61 Å²	61	57.8 Å²	57.8	50%	0.504	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	33.7	174.9	0	0	0	0	0	115.2	F430 I477	F430-A475 HydrophobicContact CD1-CB 3.99Å; F430-A475 HydrophobicContact CE1-CB 3.67Å; F430-A475 HydrophobicContact CE2-CB 4.25Å; F430-A475 HydrophobicContact CG-CB 4.4Å; F430-A475 HydrophobicContact CZ-CB 3.83Å; A475-I477 PolarHBondContact O-N 3.26Å
476	G	77.1	Confident	83.7	Confident	83 Å²	83	57.5 Å²	57.5	86%	0.856	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	2.3	-178.7	0	0	0	0	0	114.7	K474	K474-G476 PolarHBondContact O-N 3.38Å; K474-G476 VanDerWaalsContact O-N 3.15Å
477	I	79.3	Confident	84.2	Confident	42 Å²	42	53.7 Å²	53.7	22%	0.215	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.8	173	-59.5	172	0	0	0	107.5	V421 F430 M432 I472 A473 K474 A475 T479	V421-I477 HydrophobicContact CG1-CD1 4.14Å; F430-I477 HydrophobicContact CB-CD1 3.67Å; F430-I477 HydrophobicContact CG-CD1 4.38Å; M432-I477 HydrophobicContact SD-CG2 4.11Å; I472-I477 VanDerWaalsContact O-O 3.04Å; A473-I477 WeakPolarHBondContact CA-O 3.47Å; K474-I477 PolarHBondContact N-O 3.42Å; K474-I477 VanDerWaalsContact N-O 3.09Å; K474-I477 PolarHBondContact O-N 3.01Å; A475-I477 PolarHBondContact O-N 3.26Å; I477-T479 HydrophobicContact CG2-CG2 3.5Å; I477-T479 VanDerWaalsContact CG2-CG2 3.5Å
478	T	83.6	Confident	84.6	Confident	123 Å²	123	47.9 Å²	47.9	76%	0.755	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	94.1	170.7	47.3	0	0	0	0	107.7	I472 A473	I472-T478 WeakPolarHBondContact O-CA 3.08Å; A473-T478 HydrophobicContact CB-CG2 4.1Å
479	T	81.4	Confident	84.9	Confident	41 Å²	41	47.5 Å²	47.5	25%	0.252	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.1	-179	49.4	0	0	0	0	110.1	M432 I472 I477	M432-T479 HydrophobicContact CE-CG2 4.07Å; M432-T479 HydrophobicContact SD-CG2 4.4Å; M432-T479 PolarHBondContact SD-OG1 2.92Å; I472-T479 PolarHBondContact N-O 3.46Å; I472-T479 PolarHBondContact O-N 3.27Å; I477-T479 HydrophobicContact CG2-CG2 3.5Å; I477-T479 VanDerWaalsContact CG2-CG2 3.5Å
480	T	83.4	Confident	85.2	Confident	100 Å²	100	45.9 Å²	45.9	61%	0.613	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.3	170.3	49	0	0	0	0	108
481	L	83	Confident	85.3	Confident	36 Å²	36	45.7 Å²	45.7	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.9	175.4	-64.5	173.4	0	0	0	108.6	A419 M432 V438 T469 I470 I472	A419-L481 HydrophobicContact CB-CD1 3.3Å; M432-L481 HydrophobicContact CE-CD2 4.42Å; V438-L481 HydrophobicContact CG2-CB 4.23Å; V438-L481 HydrophobicContact CG2-CD1 4.2Å; T469-L481 CarbonylContact C-O 3.45Å; T469-L481 VanDerWaalsContact CA-O 3.29Å; T469-L481 WeakPolarHBondContact CA-O 3.33Å; I470-L481 PolarHBondContact N-O 3.35Å; I470-L481 PolarHBondContact O-N 2.87Å; I472-L481 HydrophobicContact CD1-CD1 4.25Å
482	N	82.4	Confident	85.4	Confident	88 Å²	88	44.5 Å²	44.5	47%	0.471	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.4	176.3	-64	-26.1	0	0	0	109.8
483	S	83.6	Confident	85.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.275	C	S	.	.			trans	-133.9	64.3	178.8	52.9	0	0	0	0	109.6	Q468 T469 C485	Q468-S483 CarbonylContact O-C 3.48Å; Q468-S483 PolarHBondContact O-N 3.4Å; T469-S483 PolarHBondContact N-OG 3.07Å; S483-C485 PolarHBondContact O-N 2.84Å
484	R	85.6	Confident	85.3	Confident	92 Å²	92	44.2 Å²	44.2	35%	0.347	27%	0.265	S	S	.	.			trans	-80.2	65.9	-179.3	-52.7	167.9	-71.8	179.5	-9.4	110	D441 G442 Q468	D441-R484 WeakPolarHBondContact OD1-CA 3.2Å; D441-R484 WeakPolarHBondContact OD1-CB 3.33Å; D441-R484 WeakPolarHBondContact OD1-CG 3.46Å; D441-R484 IonicContact OD1-CZ 3.79Å; D441-R484 PolarHBondContact OD1-N 2.79Å; D441-R484 IonicContact OD1-NE 2.69Å; D441-R484 PolarHBondContact OD1-NE 3.27Å; D441-R484 IonicContact OD1-NH2 3.58Å; D441-R484 IonicContact OD2-CZ 3.71Å; D441-R484 IonicContact OD2-NE 3.43Å; D441-R484 PolarHBondContact OD2-NE 2.99Å; D441-R484 IonicContact OD2-NH2 2.61Å; D441-R484 PolarHBondContact OD2-NH2 3.1Å; G442-R484 WeakPolarHBondContact CA-O 3.23Å; G442-R484 PolarHBondContact N-O 2.88Å; Q468-R484 HydrophobicContact CB-CG 4.37Å
485	C	87.3	Confident	85	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.027	27%	0.265	C	S	.	.			trans	-113.7	144.4	-178.8	58.5	0	0	0	0	111.2	M437 A440 V445 S483	M437-C485 VanDerWaalsContact CE-SG 3.52Å; A440-C485 HydrophobicContact CB-CB 4.42Å; A440-C485 WeakPolarHBondContact O-CB 3.37Å; V445-C485 HydrophobicContact CG2-CB 3.79Å; S483-C485 PolarHBondContact O-N 2.84Å
486	S	90.9	Very high	84.8	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.5	164.3	-63.6	0	0	0	0	109	D377 I378 G443 V444 V445	D377-S486 WeakPolarHBondContact CB-OG 3.47Å; I378-S486 VanDerWaalsContact O-CB 3.29Å; I378-S486 WeakPolarHBondContact O-CB 3.41Å; I378-S486 PolarHBondContact O-OG 3.36Å; G443-S486 PolarHBondContact O-N 3.35Å; V444-S486 CarbonylContact C-O 3.53Å; V444-S486 WeakPolarHBondContact CA-O 3.44Å; V445-S486 PolarHBondContact N-O 3.38Å
487	V	92.5	Very high	84.8	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.7	-179.8	-178.3	0	0	0	0	109.6	N379 L380 M437 I447 M465 A489 F517	N379-V487 WeakPolarHBondContact CA-O 3.13Å; N379-V487 PolarHBondContact OD1-N 3.43Å; N379-V487 VanDerWaalsContact OD1-N 3.12Å; L380-V487 PolarHBondContact N-O 2.96Å; M437-V487 HydrophobicContact CE-CG2 4.47Å; I447-V487 HydrophobicContact CD1-CG1 3.9Å; I447-V487 HydrophobicContact CG1-CG1 4.48Å; M465-V487 HydrophobicContact CG-CG2 4.14Å; V487-A489 HydrophobicContact CG1-CB 4.48Å; V487-F517 HydrophobicContact CG1-CE1 4.29Å
488	L	93.9	Very high	84.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.9	167.6	-178.8	60.2	0	0	0	108.5	L359 L380 M382 L394 V397 V444 V445 C446 I447	L359-L488 HydrophobicContact CD2-CB 3.78Å; L359-L488 HydrophobicContact CD2-CD1 4.17Å; L359-L488 HydrophobicContact CD2-CD2 4.31Å; L359-L488 HydrophobicContact CD2-CG 4.3Å; L380-L488 HydrophobicContact CB-CD1 3.83Å; L380-L488 HydrophobicContact CD2-CD1 3.39Å; L380-L488 HydrophobicContact CG-CD1 4.13Å; L380-L488 WeakPolarHBondContact O-CA 3.45Å; M382-L488 HydrophobicContact CE-CD1 4.17Å; M382-L488 HydrophobicContact CE-CG 4.39Å; L394-L488 HydrophobicContact CD2-CB 4.33Å; L394-L488 HydrophobicContact CD2-CD1 4.5Å; L394-L488 HydrophobicContact CD2-CD2 3.53Å; L394-L488 HydrophobicContact CD2-CG 3.46Å; L394-L488 VanDerWaalsContact CD2-CG 3.46Å; V397-L488 HydrophobicContact CB-CD2 3.93Å; V397-L488 HydrophobicContact CG1-CD2 3.8Å; V397-L488 HydrophobicContact CG2-CD2 3.91Å; V444-L488 HydrophobicContact CG1-CB 4.27Å; V445-L488 PolarHBondContact O-N 3.31Å; C446-L488 CarbonylContact C-O 3.55Å; C446-L488 WeakPolarHBondContact CA-O 3.29Å; I447-L488 PolarHBondContact N-O 3.09Å
489	A	92.2	Very high	84	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.4	-178	0	0	0	0	0	111	L380 L381 M382 I447 F450 V487 F517	L380-A489 PolarHBondContact O-N 2.85Å; L381-A489 CarbonylContact C-O 3.14Å; L381-A489 WeakPolarHBondContact CA-O 3.18Å; L381-A489 HydrophobicContact CD1-CB 3.67Å; M382-A489 PolarHBondContact N-O 3.46Å; I447-A489 CarbonylContact O-C 3.58Å; I447-A489 WeakPolarHBondContact O-CA 3.17Å; F450-A489 HydrophobicContact CB-CB 4.15Å; F450-A489 HydrophobicContact CD2-CB 4.18Å; F450-A489 HydrophobicContact CG-CB 4.06Å; V487-A489 HydrophobicContact CG1-CB 4.48Å; A489-F517 HydrophobicContact CB-CE1 4.01Å; A489-F517 HydrophobicContact CB-CZ 3.94Å
490	A	92	Very high	83.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.8	163.9	0	0	0	0	0	109.5	M382 K390 L394 I447 E449 F450	M382-A490 HydrophobicContact CE-CB 4.09Å; M382-A490 WeakPolarHBondContact O-CA 3.35Å; K390-A490 HydrophobicContact CB-CB 4.39Å; L394-A490 HydrophobicContact CD1-CB 3.65Å; L394-A490 HydrophobicContact CG-CB 4.3Å; I447-A490 PolarHBondContact O-N 2.86Å; E449-A490 PolarHBondContact N-O 3.38Å; F450-A490 WeakPolarHBondContact CB-O 3.48Å; F450-A490 PolarHBondContact N-O 2.99Å
491	A	89.6	Confident	82.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.			trans	-134	155.7	172.6	0	0	0	0	0	110.3	L381 M382 L383 K390 F450 D451 F509	L381-A491 HydrophobicContact CD1-CB 4.39Å; M382-A491 PolarHBondContact O-N 3.29Å; L383-A491 HydrophobicContact CD2-CB 3.62Å; K390-A491 PolarHBondContact NZ-O 3.24Å; F450-A491 HydrophobicContact CB-CB 4.29Å; D451-A491 HydrophobicContact CB-CB 4.5Å; A491-F509 HydrophobicContact CB-CE2 3.89Å; A491-F509 HydrophobicContact CB-CZ 3.72Å
492	N	87.8	Confident	81.6	Confident	40 Å²	40	47.4 Å²	47.4	21%	0.214	24%	0.235	C	C	.	.			trans	-105.9	153.8	176.4	-62.6	-43.3	0	0	0	109.8
493	S	84	Confident	80.5	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.063	22%	0.217	C	C	.	.			trans	-63.5	144.6	168.4	174.6	0	0	0	0	110.2	F495 G496 R497	S493-F495 PolarHBondContact O-N 3Å; S493-G496 PolarHBondContact O-N 2.72Å; S493-R497 PolarHBondContact OG-O 2.94Å
494	V	78.9	Confident	79.3	Confident	81 Å²	81	48.2 Å²	48.2	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38	179.1	-177.3	0	0	0	0	111.5	G496 D508	V494-G496 VanDerWaalsContact C-N 3.32Å; V494-D508 HydrophobicContact CG2-CB 3.67Å
495	F	77.6	Confident	78.4	Confident	122 Å²	122	49 Å²	49	54%	0.535	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.7	-179	-60.9	-69.3	0	0	0	113.5	S493 R497 D505	S493-F495 PolarHBondContact O-N 3Å; F495-R497 PolarHBondContact O-N 3.47Å; F495-D505 HydrophobicContact CE2-CB 4.18Å
496	G	75.1	Confident	77.4	Confident	28 Å²	28	48.9 Å²	48.9	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	70.1	-21.2	-176.7	0	0	0	0	0	114.7	P386 S493 V494	P386-G496 WeakPolarHBondContact CD-O 3.24Å; S493-G496 PolarHBondContact O-N 2.72Å; V494-G496 VanDerWaalsContact C-N 3.32Å
497	R	77.6	Confident	76.6	Confident	173 Å²	173	50.3 Å²	50.3	65%	0.653	26%	0.255	S	S	*	.	S	Bend	trans	-122.4	143.8	167.4	-72.7	-174.1	176.5	-168.9	-4.9	110.2	D385 S493 F495 D499	D385-R497 VanDerWaalsContact OD1-CA 3.26Å; D385-R497 WeakPolarHBondContact OD1-CA 3.39Å; S493-R497 PolarHBondContact OG-O 2.94Å; F495-R497 PolarHBondContact O-N 3.47Å; R497-D499 PolarHBondContact O-N 2.87Å
498	W	74.8	Confident	75.8	Confident	23 Å²	23	55.7 Å²	55.7	9%	0.087	28%	0.284	C	S	.	.			trans	-74.9	110.3	173.5	-167.8	-85.1	0	0	0	110.3	L383 D385 D500 N506 I507 I522	L383-W498 HydrophobicContact CB-CZ3 4.49Å; D385-W498 PolarHBondContact OD1-N 2.82Å; W498-D500 PolarHBondContact NE1-OD1 2.84Å; W498-N506 HydrophobicContact CE3-CB 4.39Å; W498-N506 HydrophobicContact CH2-CB 4.26Å; W498-N506 HydrophobicContact CZ2-CB 4.49Å; W498-N506 HydrophobicContact CZ3-CB 4.2Å; W498-I507 HydrophobicContact CH2-CD1 3.92Å; W498-I507 HydrophobicContact CH2-CG1 3.83Å; W498-I507 HydrophobicContact CZ3-CG1 4.21Å; W498-I522 HydrophobicContact CD2-CG2 3.89Å; W498-I522 HydrophobicContact CE3-CG2 4.05Å; W498-I522 HydrophobicContact CG-CG2 4.4Å; W498-I522 HydrophobicContact CH2-CD1 3.74Å; W498-I522 HydrophobicContact CH2-CG1 4.26Å; W498-I522 HydrophobicContact CH2-CG2 4.38Å; W498-I522 HydrophobicContact CZ2-CD1 3.61Å; W498-I522 HydrophobicContact CZ2-CG1 4.47Å; W498-I522 HydrophobicContact CZ2-CG2 4.27Å; W498-I522 HydrophobicContact CZ3-CG2 4.29Å
499	D	70.2	Confident	75	Confident	66 Å²	66	56.6 Å²	56.6	35%	0.353	29%	0.288	S	S	.	.			trans	-99.4	102.7	175.1	-171.9	-10.9	0	0	0	110.2	R497 T501 K502 N506	R497-D499 PolarHBondContact O-N 2.87Å; D499-T501 PolarHBondContact O-N 2.79Å; D499-T501 WeakPolarHBondContact OD1-CB 3.27Å; D499-T501 PolarHBondContact OD1-N 2.92Å; D499-T501 PolarHBondContact OD1-OG1 2.85Å; D499-T501 PolarHBondContact OD2-OG1 2.89Å; D499-K502 PolarHBondContact O-N 3.3Å; D499-N506 PolarHBondContact O-ND2 3.12Å
500	D	67.9	Low	74.3	Confident	70 Å²	70	62.2 Å²	62.2	37%	0.374	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.8	178.6	-70.1	-33.9	0	0	0	113.4	W498 K524	W498-D500 PolarHBondContact NE1-OD1 2.84Å; D500-K524 IonicContact OD1-NZ 2.79Å; D500-K524 PolarHBondContact OD1-NZ 3.49Å; D500-K524 IonicContact OD2-NZ 3.15Å
501	T	67.1	Low	73.6	Confident	84 Å²	84	65.4 Å²	65.4	52%	0.515	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.2	178.9	70	0	0	0	0	114.2	D499	D499-T501 PolarHBondContact O-N 2.79Å; D499-T501 WeakPolarHBondContact OD1-CB 3.27Å; D499-T501 PolarHBondContact OD1-N 2.92Å; D499-T501 PolarHBondContact OD1-OG1 2.85Å; D499-T501 PolarHBondContact OD2-OG1 2.89Å
502	K	63.2	Low	73.3	Confident	111 Å²	111	68.2 Å²	68.2	48%	0.483	35%	0.354	S	S	.	.	S	Bend	trans	-119.2	56.2	-179.9	-67	-173.1	179.9	-178.3	0	111.2	D499 E504 D505 N506	D499-K502 PolarHBondContact O-N 3.3Å; K502-E504 VanDerWaalsContact C-N 3.31Å; K502-E504 PolarHBondContact O-N 3.37Å; K502-E504 VanDerWaalsContact O-N 3.16Å; K502-D505 PolarHBondContact O-N 2.86Å; K502-N506 PolarHBondContact O-N 3.44Å; K502-N506 PolarHBondContact O-ND2 2.69Å; K502-N506 PolarHBondContact O-OD1 3.34Å
503	G	58	Low	73.1	Confident	9 Å²	9	66.7 Å²	66.7	9%	0.093	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-35	-168.8	0	0	0	0	0	116.3
504	E	58.8	Low	73	Confident	96 Å²	96	66.5 Å²	66.5	45%	0.449	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-38.9	-178	-67.8	177	-171.6	0	0	113	K502 N506 I507	K502-E504 VanDerWaalsContact C-N 3.31Å; K502-E504 PolarHBondContact O-N 3.37Å; K502-E504 VanDerWaalsContact O-N 3.16Å; E504-N506 PolarHBondContact O-N 2.98Å; E504-I507 PolarHBondContact O-N 2.89Å
505	D	66.8	Low	73.2	Confident	108 Å²	108	63.2 Å²	63.2	58%	0.578	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.2	-179.1	-65.8	-19.6	0	0	0	112.9	F495 K502 I507	F495-D505 HydrophobicContact CE2-CB 4.18Å; K502-D505 PolarHBondContact O-N 2.86Å; D505-I507 PolarHBondContact O-N 3.05Å
506	N	67.4	Low	73.7	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.3	178.1	-70.9	-24.1	0	0	0	113	W498 D499 K502 E504	W498-N506 HydrophobicContact CE3-CB 4.39Å; W498-N506 HydrophobicContact CH2-CB 4.26Å; W498-N506 HydrophobicContact CZ2-CB 4.49Å; W498-N506 HydrophobicContact CZ3-CB 4.2Å; D499-N506 PolarHBondContact O-ND2 3.12Å; K502-N506 PolarHBondContact O-N 3.44Å; K502-N506 PolarHBondContact O-ND2 2.69Å; K502-N506 PolarHBondContact O-OD1 3.34Å; E504-N506 PolarHBondContact O-N 2.98Å
507	I	72.8	Confident	74.4	Confident	31 Å²	31	58.2 Å²	58.2	16%	0.159	29%	0.293	C	S	.	.			trans	-121.6	103.7	-173	-47.8	178.4	0	0	0	110.2	W498 E504 D505 F509 L514	W498-I507 HydrophobicContact CH2-CD1 3.92Å; W498-I507 HydrophobicContact CH2-CG1 3.83Å; W498-I507 HydrophobicContact CZ3-CG1 4.21Å; E504-I507 PolarHBondContact O-N 2.89Å; D505-I507 PolarHBondContact O-N 3.05Å; I507-F509 HydrophobicContact CG2-CB 3.98Å; I507-F509 HydrophobicContact CG2-CD2 3.49Å; I507-F509 VanDerWaalsContact CG2-CD2 3.49Å; I507-F509 HydrophobicContact CG2-CE2 4.4Å; I507-F509 HydrophobicContact CG2-CG 4.17Å; I507-F509 PolarHBondContact O-N 3.47Å; I507-L514 HydrophobicContact CG2-CD1 4.12Å
508	D	75.9	Confident	74.9	Confident	114 Å²	114	50.2 Å²	50.2	61%	0.61	26%	0.264	S	S	*	.			trans	-83.4	37.7	176	-170.5	32	0	0	0	113.1	V494	V494-D508 HydrophobicContact CG2-CB 3.67Å
509	F	76.7	Confident	75.6	Confident	20 Å²	20	49.1 Å²	49.1	9%	0.088	26%	0.259	C	S	.	.	S	Bend	trans	-112.8	137.3	179	-63	-58.7	0	0	0	111.4	L383 F450 D451 A491 I507 L514	L383-F509 HydrophobicContact CD2-CE2 3.92Å; F450-F509 HydrophobicContact CD1-CD1 4.39Å; F450-F509 AromaticContact CD1-CE1 3.55Å; F450-F509 HydrophobicContact CD1-CE1 3.55Å; F450-F509 AromaticContact CD1-CZ 3.67Å; F450-F509 HydrophobicContact CD1-CZ 3.67Å; F450-F509 HydrophobicContact CE1-CD1 4.16Å; F450-F509 AromaticContact CE1-CE1 3.74Å; F450-F509 HydrophobicContact CE1-CE1 3.74Å; F450-F509 HydrophobicContact CE1-CZ 4.23Å; D451-F509 HydrophobicContact CB-CE1 4.49Å; D451-F509 HydrophobicContact CB-CZ 4.03Å; A491-F509 HydrophobicContact CB-CE2 3.89Å; A491-F509 HydrophobicContact CB-CZ 3.72Å; I507-F509 HydrophobicContact CG2-CB 3.98Å; I507-F509 HydrophobicContact CG2-CD2 3.49Å; I507-F509 VanDerWaalsContact CG2-CD2 3.49Å; I507-F509 HydrophobicContact CG2-CE2 4.4Å; I507-F509 HydrophobicContact CG2-CG 4.17Å; I507-F509 PolarHBondContact O-N 3.47Å; F509-L514 HydrophobicContact CB-CD1 4.36Å; F509-L514 HydrophobicContact CB-CD2 4.2Å; F509-L514 HydrophobicContact CB-CG 4.09Å; F509-L514 HydrophobicContact CD2-CD2 4.2Å
510	M	77.9	Confident	76.5	Confident	117 Å²	117	46.1 Å²	46.1	58%	0.576	24%	0.244	S	C	*	.			trans	-63.2	134.3	170	-160	155.5	82.9	0	0	109.2	T512 I513	M510-T512 HydrophobicContact CE-CG2 4.08Å; M510-T512 VanDerWaalsContact CE-OG1 3.28Å; M510-T512 WeakPolarHBondContact CE-OG1 3.34Å; M510-T512 HydrophobicContact CG-CG2 4.4Å; M510-T512 PolarHBondContact O-N 3.2Å; M510-I513 PolarHBondContact O-N 3.15Å
511	P	78.4	Confident	77.5	Confident	69 Å²	69	43.5 Å²	43.5	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-55.7	-22.1	-178	-29	35.1	0	0	0	114.2	I513 L514 S515	P511-I513 VanDerWaalsContact C-N 3.33Å; P511-I513 PolarHBondContact O-N 2.97Å; P511-L514 PolarHBondContact O-N 3.16Å; P511-S515 WeakPolarHBondContact O-CB 3.36Å; P511-S515 PolarHBondContact O-N 2.85Å
512	T	81.9	Confident	78.3	Confident	58 Å²	58	40.6 Å²	40.6	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-32	175.4	63.1	0	0	0	0	113	M510 R516	M510-T512 HydrophobicContact CE-CG2 4.08Å; M510-T512 VanDerWaalsContact CE-OG1 3.28Å; M510-T512 WeakPolarHBondContact CE-OG1 3.34Å; M510-T512 HydrophobicContact CG-CG2 4.4Å; M510-T512 PolarHBondContact O-N 3.2Å; T512-R516 PolarHBondContact O-NH1 2.85Å
513	I	84	Confident	79.3	Confident	9 Å²	9	37 Å²	37	5%	0.046	20%	0.195	C	C	.	.	H	α-helix	trans	-72.7	-50.6	174.3	-65.3	176.6	0	0	0	109.3	F450 H462 M510 P511 S515 R516 F517	F450-I513 HydrophobicContact CE1-CG2 3.88Å; F450-I513 HydrophobicContact CZ-CG2 3.94Å; H462-I513 WeakPolarHBondContact CE1-CG1 3.45Å; H462-I513 WeakPolarHBondContact NE2-CG1 3.47Å; M510-I513 PolarHBondContact O-N 3.15Å; P511-I513 VanDerWaalsContact C-N 3.33Å; P511-I513 PolarHBondContact O-N 2.97Å; I513-S515 PolarHBondContact O-N 2.99Å; I513-R516 WeakPolarHBondContact O-CB 3.29Å; I513-R516 PolarHBondContact O-N 3.22Å; I513-F517 HydrophobicContact CG2-CD2 4.13Å; I513-F517 HydrophobicContact CG2-CE2 3.61Å; I513-F517 WeakPolarHBondContact O-CD2 3.44Å
514	L	82.8	Confident	80.5	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-38	-178.4	-64.1	174.7	0	0	0	111.8	L381 I507 F509 P511 R516 F517 I520	L381-L514 HydrophobicContact CD2-CD2 3.73Å; I507-L514 HydrophobicContact CG2-CD1 4.12Å; F509-L514 HydrophobicContact CB-CD1 4.36Å; F509-L514 HydrophobicContact CB-CD2 4.2Å; F509-L514 HydrophobicContact CB-CG 4.09Å; F509-L514 HydrophobicContact CD2-CD2 4.2Å; P511-L514 PolarHBondContact O-N 3.16Å; L514-R516 PolarHBondContact O-N 2.89Å; L514-F517 PolarHBondContact O-N 2.87Å; L514-I520 HydrophobicContact CB-CD1 4.33Å; L514-I520 HydrophobicContact CD2-CD1 4.24Å
515	S	83.2	Confident	81.6	Confident	13 Å²	13	38.5 Å²	38.5	9%	0.091	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.1	176	-179.9	0	0	0	0	114.7	P511 I513	P511-S515 WeakPolarHBondContact O-CB 3.36Å; P511-S515 PolarHBondContact O-N 2.85Å; I513-S515 PolarHBondContact O-N 2.99Å
516	R	87.6	Confident	82.3	Confident	44 Å²	44	38.4 Å²	38.4	17%	0.166	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-10.4	178.5	-67.5	179.7	174.1	97.9	-17.2	113.5	N379 H462 M465 E466 T512 I513 L514	N379-R516 PolarHBondContact ND2-O 2.95Å; H462-R516 PolarHBondContact CE1-NH1 3.5Å; H462-R516 VanDerWaalsContact CE1-NH1 3.33Å; H462-R516 PolarHBondContact ND1-NH1 3.15Å; M465-R516 HydrophobicContact CE-CB 4.08Å; E466-R516 IonicContact OE2-NE 2.8Å; E466-R516 PolarHBondContact OE2-NE 2.71Å; T512-R516 PolarHBondContact O-NH1 2.85Å; I513-R516 WeakPolarHBondContact O-CB 3.29Å; I513-R516 PolarHBondContact O-N 3.22Å; L514-R516 PolarHBondContact O-N 2.89Å
517	F	88.9	Confident	82.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.			trans	-84.3	133.2	168.6	-73	-76.9	0	0	0	109.1	N379 L381 F450 M465 V487 A489 I513 L514 I520	N379-F517 HydrophobicContact CB-CD1 3.65Å; N379-F517 HydrophobicContact CB-CE1 4.17Å; L381-F517 HydrophobicContact CB-CB 4.24Å; L381-F517 HydrophobicContact CB-CD1 3.78Å; L381-F517 HydrophobicContact CB-CD2 4.2Å; L381-F517 HydrophobicContact CB-CE1 4.15Å; L381-F517 HydrophobicContact CB-CG 3.82Å; L381-F517 HydrophobicContact CD1-CE2 4.45Å; L381-F517 HydrophobicContact CD1-CZ 4.36Å; L381-F517 HydrophobicContact CD2-CD2 4.13Å; L381-F517 HydrophobicContact CD2-CE2 4.36Å; F450-F517 HydrophobicContact CE1-CE2 4.2Å; F450-F517 HydrophobicContact CE1-CZ 4.4Å; F450-F517 HydrophobicContact CZ-CE2 4.24Å; F450-F517 HydrophobicContact CZ-CZ 4.22Å; M465-F517 HydrophobicContact CE-CD1 3.96Å; M465-F517 HydrophobicContact CE-CD2 4.34Å; M465-F517 HydrophobicContact CE-CE1 3.71Å; M465-F517 HydrophobicContact CE-CE2 4.12Å; M465-F517 HydrophobicContact CE-CG 4.27Å; M465-F517 HydrophobicContact CE-CZ 3.8Å; M465-F517 HydrophobicContact SD-CZ 4.34Å; V487-F517 HydrophobicContact CG1-CE1 4.29Å; A489-F517 HydrophobicContact CB-CE1 4.01Å; A489-F517 HydrophobicContact CB-CZ 3.94Å; I513-F517 HydrophobicContact CG2-CD2 4.13Å; I513-F517 HydrophobicContact CG2-CE2 3.61Å; I513-F517 WeakPolarHBondContact O-CD2 3.44Å; L514-F517 PolarHBondContact O-N 2.87Å; F517-I520 HydrophobicContact CB-CG1 4.19Å
518	D	89.6	Confident	83.5	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.027	24%	0.238	C	C	.	.	S	Bend	trans	-81.3	-37.7	-176.9	-72.3	-11	0	0	0	110	I378 N379 A618 R621	I378-D518 WeakPolarHBondContact CA-OD2 3.39Å; I378-D518 HydrophobicContact CG2-CB 4.09Å; N379-D518 WeakPolarHBondContact O-CB 2.99Å; N379-D518 PolarHBondContact O-N 3.18Å; D518-A618 HydrophobicContact CB-CB 3.56Å; D518-A618 VanDerWaalsContact CG-CB 3.49Å; D518-A618 WeakPolarHBondContact OD1-CB 3.41Å; D518-R621 IonicContact OD1-NH1 3.15Å; D518-R621 PolarHBondContact OD1-NH1 3.18Å; D518-R621 IonicContact OD2-NH1 3.61Å; D518-R621 PolarHBondContact OD2-NH1 3.11Å
519	M	88.4	Confident	84.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.2	175.2	-67.1	177.6	-77.5	0	0	111	A355 I378 N379 L380 L381 F521 I622	A355-M519 HydrophobicContact CB-CE 3.89Å; A355-M519 HydrophobicContact CB-SD 3.71Å; I378-M519 HydrophobicContact CG2-CE 3.65Å; N379-M519 PolarHBondContact O-N 2.78Å; L380-M519 WeakPolarHBondContact CA-O 3.48Å; L380-M519 HydrophobicContact CD1-CE 4.2Å; L380-M519 HydrophobicContact CG-CB 4.46Å; L381-M519 PolarHBondContact N-O 3Å; M519-F521 HydrophobicContact CB-CD2 4.41Å; M519-F521 HydrophobicContact CB-CE2 3.85Å; M519-F521 HydrophobicContact SD-CE2 4.17Å; M519-F521 HydrophobicContact SD-CZ 4.4Å; M519-I622 HydrophobicContact CE-CD1 4.08Å; M519-I622 HydrophobicContact CE-CG1 4.12Å; M519-I622 HydrophobicContact CG-CD1 3.77Å; M519-I622 HydrophobicContact SD-CD1 3.69Å; M519-I622 HydrophobicContact SD-CG1 4.29Å
520	I	89	Confident	84.6	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.5	176.5	-57.2	169.4	0	0	0	107.5	L381 L383 L514 F517 I609 S650	L381-I520 HydrophobicContact CB-CG1 4.38Å; L381-I520 HydrophobicContact CD2-CG1 4.44Å; L381-I520 HydrophobicContact CD2-CG2 4.27Å; L381-I520 CarbonylContact O-C 3.6Å; L381-I520 WeakPolarHBondContact O-CA 3.47Å; L383-I520 HydrophobicContact CD1-CG2 3.74Å; L383-I520 HydrophobicContact CG-CG2 4.38Å; L514-I520 HydrophobicContact CB-CD1 4.33Å; L514-I520 HydrophobicContact CD2-CD1 4.24Å; F517-I520 HydrophobicContact CB-CG1 4.19Å; I520-I609 HydrophobicContact CD1-CD1 4.1Å; I520-S650 CarbonylContact O-C 3.59Å; I520-S650 WeakPolarHBondContact O-CA 3.41Å; I520-S650 WeakPolarHBondContact O-CB 3.42Å
521	F	88.4	Confident	84.8	Confident	15 Å²	15	56.2 Å²	56.2	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.8	176.8	-73.5	-79.8	0	0	0	110.1	L352 A355 L380 L381 L383 M519	L352-F521 HydrophobicContact CD1-CB 3.97Å; L352-F521 HydrophobicContact CD1-CD2 3.69Å; L352-F521 HydrophobicContact CD1-CE2 4.34Å; L352-F521 HydrophobicContact CD1-CG 3.8Å; A355-F521 HydrophobicContact CB-CD2 4.47Å; A355-F521 HydrophobicContact CB-CE2 3.34Å; A355-F521 HydrophobicContact CB-CZ 3.53Å; L380-F521 HydrophobicContact CD1-CD2 4.01Å; L380-F521 HydrophobicContact CD1-CE2 3.81Å; L380-F521 HydrophobicContact CD2-CD2 4.16Å; L380-F521 HydrophobicContact CG-CD2 4.08Å; L380-F521 HydrophobicContact CG-CE2 4.28Å; L381-F521 PolarHBondContact O-N 2.71Å; L383-F521 PolarHBondContact N-O 2.78Å; M519-F521 HydrophobicContact CB-CD2 4.41Å; M519-F521 HydrophobicContact CB-CE2 3.85Å; M519-F521 HydrophobicContact SD-CE2 4.17Å; M519-F521 HydrophobicContact SD-CZ 4.4Å
522	I	84.4	Confident	85.3	Confident	23 Å²	23	56.2 Å²	56.2	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.1	171.6	-56.6	171.3	0	0	0	107.8	L383 W498 K524 A654	L383-I522 HydrophobicContact CB-CG1 4.4Å; W498-I522 HydrophobicContact CD2-CG2 3.89Å; W498-I522 HydrophobicContact CE3-CG2 4.05Å; W498-I522 HydrophobicContact CG-CG2 4.4Å; W498-I522 HydrophobicContact CH2-CD1 3.74Å; W498-I522 HydrophobicContact CH2-CG1 4.26Å; W498-I522 HydrophobicContact CH2-CG2 4.38Å; W498-I522 HydrophobicContact CZ2-CD1 3.61Å; W498-I522 HydrophobicContact CZ2-CG1 4.47Å; W498-I522 HydrophobicContact CZ2-CG2 4.27Å; W498-I522 HydrophobicContact CZ3-CG2 4.29Å; I522-K524 HydrophobicContact CG2-CD 4.48Å; I522-K524 HydrophobicContact CG2-CG 3.85Å; I522-A654 HydrophobicContact CD1-CB 3.71Å; I522-A654 HydrophobicContact CG1-CB 4.37Å
523	I	84.7	Confident	85.6	Confident	34 Å²	34	58.5 Å²	58.5	17%	0.174	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.5	178	-50.6	173.5	0	0	0	107.6	L352 M382 L383 G384 D385 T388 K390	L352-I523 HydrophobicContact CD2-CD1 3.62Å; L352-I523 HydrophobicContact CD2-CG1 4.42Å; M382-I523 HydrophobicContact CB-CD1 4.44Å; L383-I523 PolarHBondContact O-N 2.86Å; G384-I523 WeakPolarHBondContact CA-O 3.46Å; D385-I523 PolarHBondContact N-O 2.8Å; T388-I523 HydrophobicContact CG2-CG2 3.87Å; K390-I523 HydrophobicContact CG-CD1 3.99Å
524	K	82.9	Confident	85.7	Confident	55 Å²	55	60.2 Å²	60.2	24%	0.239	29%	0.287	C	S	.	.			trans	-98	136.6	178	-57	-175.9	-171.9	-179.8	0	109.9	D500 I522 Q526	D500-K524 IonicContact OD1-NZ 2.79Å; D500-K524 PolarHBondContact OD1-NZ 3.49Å; D500-K524 IonicContact OD2-NZ 3.15Å; I522-K524 HydrophobicContact CG2-CD 4.48Å; I522-K524 HydrophobicContact CG2-CG 3.85Å; K524-Q526 PolarHBondContact O-N 3.29Å
525	D	82.4	Confident	85.9	Confident	83 Å²	83	63.2 Å²	63.2	44%	0.444	30%	0.303	S	S	.	.			trans	-85.3	91.5	172.3	-171.1	19.7	0	0	0	110.3	D385 T388 H527	D385-D525 HydrophobicContact CB-CB 4.46Å; D385-D525 PolarHBondContact OD2-N 3.19Å; T388-D525 HydrophobicContact CG2-CB 4.45Å; D525-H527 PolarHBondContact O-ND1 3.47Å
526	Q	81.1	Confident	86.1	Confident	106 Å²	106	65.2 Å²	65.2	50%	0.495	32%	0.32	S	S	.	.			trans	-85.3	124.6	177.9	-68.6	-178.2	-5.2	0	0	110.2	K524 D528	K524-Q526 PolarHBondContact O-N 3.29Å; Q526-D528 PolarHBondContact O-N 3.02Å; Q526-D528 VanDerWaalsContact O-N 3.11Å
527	H	80.3	Confident	86.1	Confident	146 Å²	146	69.9 Å²	69.9	68%	0.676	34%	0.338	S	S	*	.			trans	-79.7	95.2	179.7	-60.1	56.9	0	0	0	109.1	D525	D525-H527 PolarHBondContact O-ND1 3.47Å
528	D	85.1	Confident	85.9	Confident	63 Å²	63	72.2 Å²	72.2	34%	0.337	35%	0.349	S	S	.	.			trans	-129.6	122.5	177.4	177.8	17.4	0	0	0	110.1	Q526 Q530 R531 D532	Q526-D528 PolarHBondContact O-N 3.02Å; Q526-D528 VanDerWaalsContact O-N 3.11Å; D528-Q530 PolarHBondContact O-N 2.86Å; D528-Q530 PolarHBondContact OD1-N 3.37Å; D528-R531 HydrophobicContact CB-CB 4.24Å; D528-R531 HydrophobicContact CB-CG 4.37Å; D528-R531 PolarHBondContact O-N 2.92Å; D528-D532 WeakPolarHBondContact O-CB 3.07Å; D528-D532 PolarHBondContact O-N 3.28Å
529	Q	88.7	Confident	85.6	Confident	171 Å²	171	75.3 Å²	75.3	80%	0.799	37%	0.368	S	S	*	.	H	α-helix	trans	-58.9	-35.3	-174.5	-68.7	-177.3	-5.6	0	0	112.9	M533	Q529-M533 WeakPolarHBondContact O-CB 3.46Å; Q529-M533 PolarHBondContact O-N 3.11Å
530	Q	87.7	Confident	85.5	Confident	155 Å²	155	80.7 Å²	80.7	72%	0.724	39%	0.394	S	S	*	.	H	α-helix	trans	-69.9	-45.8	-179.8	-64.8	-173.6	0.5	0	0	111.1	D528 M533 T534	D528-Q530 PolarHBondContact O-N 2.86Å; D528-Q530 PolarHBondContact OD1-N 3.37Å; Q530-M533 PolarHBondContact O-N 2.91Å; Q530-T534 PolarHBondContact O-N 3.25Å; Q530-T534 VanDerWaalsContact O-N 3.11Å; Q530-T534 PolarHBondContact O-OG1 3.19Å
531	R	82.4	Confident	85.2	Confident	123 Å²	123	85 Å²	85	46%	0.464	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-44.6	176.1	-72.3	-177.3	176.3	-179.6	1.6	111.2	D528 M533 T534 L535	D528-R531 HydrophobicContact CB-CB 4.24Å; D528-R531 HydrophobicContact CB-CG 4.37Å; D528-R531 PolarHBondContact O-N 2.92Å; R531-M533 VanDerWaalsContact C-N 3.28Å; R531-M533 PolarHBondContact O-N 2.91Å; R531-T534 WeakPolarHBondContact CA-OG1 3.4Å; R531-T534 PolarHBondContact O-N 2.93Å; R531-T534 VanDerWaalsContact O-N 3.1Å; R531-T534 PolarHBondContact O-OG1 2.91Å; R531-L535 WeakPolarHBondContact O-CB 3.16Å; R531-L535 WeakPolarHBondContact O-CG 3.43Å; R531-L535 PolarHBondContact O-N 3.26Å
532	D	86.9	Confident	84.9	Confident	70 Å²	70	87 Å²	87	37%	0.374	43%	0.431	S	S	.	.	H	α-helix	trans	-59.3	-40.6	177.7	-67.5	-15.7	0	0	0	111.4	D528 L535 A536	D528-D532 WeakPolarHBondContact O-CB 3.07Å; D528-D532 PolarHBondContact O-N 3.28Å; D532-L535 PolarHBondContact O-N 3.42Å; D532-A536 WeakPolarHBondContact O-CB 3.24Å; D532-A536 PolarHBondContact O-N 3.44Å
533	M	89.1	Confident	84.7	Confident	105 Å²	105	92.1 Å²	92.1	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-42	175.8	-165.4	-175.8	-156.1	0	0	112	Q529 Q530 R531 R537	Q529-M533 WeakPolarHBondContact O-CB 3.46Å; Q529-M533 PolarHBondContact O-N 3.11Å; Q530-M533 PolarHBondContact O-N 2.91Å; R531-M533 VanDerWaalsContact C-N 3.28Å; R531-M533 PolarHBondContact O-N 2.91Å; M533-R537 WeakPolarHBondContact O-CB 3.44Å; M533-R537 WeakPolarHBondContact O-CG 3.25Å; M533-R537 PolarHBondContact O-N 3.23Å; M533-R537 PolarHBondContact SD-NH2 3.42Å; M533-R537 VanDerWaalsContact SD-NH2 3.43Å
534	T	86.9	Confident	84.4	Confident	45 Å²	45	95.3 Å²	95.3	28%	0.276	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-41.4	176.3	54.6	0	0	0	0	112.5	Q530 R531 R537 H538	Q530-T534 PolarHBondContact O-N 3.25Å; Q530-T534 VanDerWaalsContact O-N 3.11Å; Q530-T534 PolarHBondContact O-OG1 3.19Å; R531-T534 WeakPolarHBondContact CA-OG1 3.4Å; R531-T534 PolarHBondContact O-N 2.93Å; R531-T534 VanDerWaalsContact O-N 3.1Å; R531-T534 PolarHBondContact O-OG1 2.91Å; T534-R537 PolarHBondContact O-N 3.32Å; T534-H538 WeakPolarHBondContact O-CB 3.43Å; T534-H538 PolarHBondContact O-N 3.19Å
535	L	85.3	Confident	83.7	Confident	67 Å²	67	94.2 Å²	94.2	35%	0.351	47%	0.47	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.5	-76.9	165.8	0	0	0	110.6	Y347 R531 D532 R537 H538 V539	Y347-L535 HydrophobicContact CD1-CD2 3.66Å; Y347-L535 HydrophobicContact CD1-CG 4.12Å; Y347-L535 HydrophobicContact CG-CD2 4.39Å; R531-L535 WeakPolarHBondContact O-CB 3.16Å; R531-L535 WeakPolarHBondContact O-CG 3.43Å; R531-L535 PolarHBondContact O-N 3.26Å; D532-L535 PolarHBondContact O-N 3.42Å; L535-R537 PolarHBondContact O-N 3.48Å; L535-H538 PolarHBondContact O-N 3.25Å; L535-V539 WeakPolarHBondContact O-CB 3.31Å; L535-V539 VanDerWaalsContact O-CG2 3.26Å; L535-V539 WeakPolarHBondContact O-CG2 3.17Å; L535-V539 PolarHBondContact O-N 3.27Å
536	A	87.7	Confident	82.8	Confident	55 Å²	55	94.1 Å²	94.1	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-46	177.5	0	0	0	0	0	111.6	D532 H538 V539 M540	D532-A536 WeakPolarHBondContact O-CB 3.24Å; D532-A536 PolarHBondContact O-N 3.44Å; A536-H538 VanDerWaalsContact C-N 3.34Å; A536-H538 PolarHBondContact O-N 3.27Å; A536-V539 PolarHBondContact O-N 2.91Å; A536-M540 WeakPolarHBondContact O-CB 3.26Å; A536-M540 WeakPolarHBondContact O-CG 3.33Å; A536-M540 PolarHBondContact O-N 2.94Å
537	R	89.2	Confident	81.8	Confident	143 Å²	143	97.8 Å²	97.8	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-58.9	-45.7	175	-76.8	177.1	-177.4	143.3	-3.9	111.8	M533 T534 L535 M540 N541	M533-R537 WeakPolarHBondContact O-CB 3.44Å; M533-R537 WeakPolarHBondContact O-CG 3.25Å; M533-R537 PolarHBondContact O-N 3.23Å; M533-R537 PolarHBondContact SD-NH2 3.42Å; M533-R537 VanDerWaalsContact SD-NH2 3.43Å; T534-R537 PolarHBondContact O-N 3.32Å; L535-R537 PolarHBondContact O-N 3.48Å; R537-M540 PolarHBondContact O-N 2.77Å; R537-N541 WeakPolarHBondContact O-CB 3.41Å; R537-N541 PolarHBondContact O-N 2.92Å; R537-N541 PolarHBondContact O-ND2 3.49Å
538	H	83.3	Confident	80.7	Confident	49 Å²	49	96.3 Å²	96.3	23%	0.227	50%	0.499	C	S	.	.	H	α-helix	trans	-63.2	-49	179.7	-175.3	78.5	0	0	0	111.6	S345 Y347 T534 L535 A536 M540 N541 V542	S345-H538 PolarHBondContact O-NE2 3.42Å; Y347-H538 HydrophobicContact CG-CB 4.4Å; T534-H538 WeakPolarHBondContact O-CB 3.43Å; T534-H538 PolarHBondContact O-N 3.19Å; L535-H538 PolarHBondContact O-N 3.25Å; A536-H538 VanDerWaalsContact C-N 3.34Å; A536-H538 PolarHBondContact O-N 3.27Å; H538-M540 PolarHBondContact O-N 3.43Å; H538-N541 WeakPolarHBondContact O-CB 3.34Å; H538-N541 PolarHBondContact O-N 2.98Å; H538-N541 VanDerWaalsContact O-N 3.15Å; H538-V542 WeakPolarHBondContact O-CG2 3.34Å; H538-V542 PolarHBondContact O-N 2.67Å
539	V	84.1	Confident	79.1	Confident	70 Å²	70	97 Å²	97	42%	0.424	50%	0.501	S	S	.	.	H	α-helix	trans	-60.7	-44.2	178.6	170.3	0	0	0	0	111.2	L535 A536 N541 V542 H543	L535-V539 WeakPolarHBondContact O-CB 3.31Å; L535-V539 VanDerWaalsContact O-CG2 3.26Å; L535-V539 WeakPolarHBondContact O-CG2 3.17Å; L535-V539 PolarHBondContact O-N 3.27Å; A536-V539 PolarHBondContact O-N 2.91Å; V539-N541 VanDerWaalsContact C-N 3.34Å; V539-N541 PolarHBondContact O-N 3.49Å; V539-V542 PolarHBondContact O-N 2.87Å; V539-H543 PolarHBondContact O-CD2 3.47Å; V539-H543 PolarHBondContact O-N 3.05Å
540	M	85.4	Confident	77	Confident	112 Å²	112	95.9 Å²	95.9	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-42.6	175	-70.7	-63.1	-67.1	0	0	111.6	A536 R537 H538 V542 H543 L544	A536-M540 WeakPolarHBondContact O-CB 3.26Å; A536-M540 WeakPolarHBondContact O-CG 3.33Å; A536-M540 PolarHBondContact O-N 2.94Å; R537-M540 PolarHBondContact O-N 2.77Å; H538-M540 PolarHBondContact O-N 3.43Å; M540-V542 PolarHBondContact O-N 3.48Å; M540-H543 PolarHBondContact O-N 3.3Å; M540-L544 WeakPolarHBondContact O-CB 3.41Å; M540-L544 VanDerWaalsContact O-CG 3.23Å; M540-L544 WeakPolarHBondContact O-CG 3.21Å; M540-L544 PolarHBondContact O-N 3.29Å
541	N	83.9	Confident	75	Confident	95 Å²	95	97.4 Å²	97.4	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-41.3	176.1	-74.9	-13	0	0	0	112.1	R537 H538 V539 L544 S545	R537-N541 WeakPolarHBondContact O-CB 3.41Å; R537-N541 PolarHBondContact O-N 2.92Å; R537-N541 PolarHBondContact O-ND2 3.49Å; H538-N541 WeakPolarHBondContact O-CB 3.34Å; H538-N541 PolarHBondContact O-N 2.98Å; H538-N541 VanDerWaalsContact O-N 3.15Å; V539-N541 VanDerWaalsContact C-N 3.34Å; V539-N541 PolarHBondContact O-N 3.49Å; N541-L544 PolarHBondContact O-N 3.15Å; N541-S545 WeakPolarHBondContact O-CB 3.41Å; N541-S545 PolarHBondContact O-N 3.32Å; N541-S545 PolarHBondContact O-OG 3.48Å
542	V	80.9	Confident	73.1	Confident	58 Å²	58	93.9 Å²	93.9	35%	0.352	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.6	176.5	0	0	0	0	110.9	H538 V539 M540 S545 A546	H538-V542 WeakPolarHBondContact O-CG2 3.34Å; H538-V542 PolarHBondContact O-N 2.67Å; V539-V542 PolarHBondContact O-N 2.87Å; M540-V542 PolarHBondContact O-N 3.48Å; V542-S545 PolarHBondContact O-N 2.86Å; V542-A546 PolarHBondContact O-N 3.22Å
543	H	79.8	Confident	71.2	Confident	130 Å²	130	94.3 Å²	94.3	60%	0.602	52%	0.519	S	S	*	.	H	α-helix	trans	-69.2	-37.2	179	-76.3	-62.8	0	0	0	113.6	V539 M540 A546	V539-H543 PolarHBondContact O-CD2 3.47Å; V539-H543 PolarHBondContact O-N 3.05Å; M540-H543 PolarHBondContact O-N 3.3Å; H543-A546 WeakPolarHBondContact O-CB 3.46Å
544	L	80	Confident	69.4	Low	101 Å²	101	95.8 Å²	95.8	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-43.3	174.2	-71.8	167.8	0	0	0	111	M540 N541 A546 Q547 T548	M540-L544 WeakPolarHBondContact O-CB 3.41Å; M540-L544 VanDerWaalsContact O-CG 3.23Å; M540-L544 WeakPolarHBondContact O-CG 3.21Å; M540-L544 PolarHBondContact O-N 3.29Å; N541-L544 PolarHBondContact O-N 3.15Å; L544-A546 PolarHBondContact O-N 3.36Å; L544-Q547 PolarHBondContact O-N 2.98Å; L544-T548 PolarHBondContact O-OG1 3.19Å
545	S	68.1	Low	67.8	Low	32 Å²	32	94.8 Å²	94.8	22%	0.224	52%	0.524	C	S	.	.	H	α-helix	trans	-67.4	-22.9	179.4	-57.5	0	0	0	0	112.9	N541 V542 Q547 T548 Q549	N541-S545 WeakPolarHBondContact O-CB 3.41Å; N541-S545 PolarHBondContact O-N 3.32Å; N541-S545 PolarHBondContact O-OG 3.48Å; V542-S545 PolarHBondContact O-N 2.86Å; S545-Q547 PolarHBondContact O-N 3.47Å; S545-T548 PolarHBondContact O-N 3.34Å; S545-Q549 WeakPolarHBondContact O-CB 3.37Å; S545-Q549 WeakPolarHBondContact O-CG 3.41Å; S545-Q549 PolarHBondContact O-N 3.23Å; S545-Q549 VanDerWaalsContact O-N 3.07Å
546	A	63.9	Low	66.7	Low	81 Å²	81	98.8 Å²	98.8	67%	0.669	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.9	174.7	0	0	0	0	0	113.3	V542 H543 L544	V542-A546 PolarHBondContact O-N 3.22Å; H543-A546 WeakPolarHBondContact O-CB 3.46Å; L544-A546 PolarHBondContact O-N 3.36Å
547	Q	59.8	Low	66	Low	182 Å²	182	97.1 Å²	97.1	85%	0.85	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-19.2	173.1	-72.4	-177.2	-15.7	0	0	113.3	L544 S545	L544-Q547 PolarHBondContact O-N 2.98Å; S545-Q547 PolarHBondContact O-N 3.47Å
548	T	57.5	Low	65.5	Low	115 Å²	115	92.8 Å²	92.8	71%	0.706	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-8.5	-169	-17.2	0	0	0	0	113.9	L544 S545	L544-T548 PolarHBondContact O-OG1 3.19Å; S545-T548 PolarHBondContact O-N 3.34Å
549	Q	51	Low	65.3	Low	79 Å²	79	94.2 Å²	94.2	37%	0.369	52%	0.523	S	S	.	.			trans	-115.8	104	-168.1	-67.6	-172	-4.9	0	0	114.8	S545 G552	S545-Q549 WeakPolarHBondContact O-CB 3.37Å; S545-Q549 WeakPolarHBondContact O-CG 3.41Å; S545-Q549 PolarHBondContact O-N 3.23Å; S545-Q549 VanDerWaalsContact O-N 3.07Å; Q549-G552 PolarHBondContact NE2-O 3.33Å; Q549-G552 VanDerWaalsContact OE1-C 3.23Å
550	T	45	Very low	65.1	Low	146 Å²	146	93.9 Å²	93.9	90%	0.896	53%	0.528	S	S	*	.	S	Bend	trans	-89.9	-11.7	144.9	-18.6	0	0	0	0	111.7
551	E	45.3	Very low	65	Low	188 Å²	188	90.8 Å²	90.8	88%	0.879	52%	0.515	S	S	*	.	S	Bend	trans	-147	16.8	-171	-64.9	-171.1	156.5	0	0	117.5
552	G	42.2	Very low	65	Low	48 Å²	48	86.5 Å²	86.5	50%	0.495	49%	0.492	S	S	.	.	S	Bend	trans	-122.1	-5.8	-161.1	0	0	0	0	0	121.9	Q549	Q549-G552 PolarHBondContact NE2-O 3.33Å; Q549-G552 VanDerWaalsContact OE1-C 3.23Å
553	V	47.6	Very low	65.1	Low	80 Å²	80	87 Å²	87	49%	0.485	49%	0.489	S	S	.	.			trans	-135.3	48.6	173	-177.2	0	0	0	0	108.5	P344	P344-V553 HydrophobicContact CB-CG1 4Å; P344-V553 HydrophobicContact CG-CG1 4.14Å
554	E	50.5	Low	65.3	Low	135 Å²	135	86.2 Å²	86.2	63%	0.631	48%	0.484	S	S	*	.			trans	-75.7	136.6	150.9	-62.8	-159.2	153.1	0	0	106.2
555	G	53.6	Low	65.7	Low	25 Å²	25	81.7 Å²	81.7	26%	0.258	46%	0.46	S	S	.	.			trans	-57.4	178.2	171.6	0	0	0	0	0	110.9	I557	G555-I557 PolarHBondContact O-N 3.34Å
556	E	62.1	Low	66.6	Low	150 Å²	150	80.1 Å²	80.1	70%	0.701	45%	0.449	S	S	*	.	S	Bend	trans	-52.1	-20.5	175.8	-65	175.5	176	0	0	112.9	S337	S337-E556 VanDerWaalsContact CB-OE2 3.26Å; S337-E556 WeakPolarHBondContact CB-OE2 3.38Å; S337-E556 PolarHBondContact OG-OE2 3.43Å
557	I	72.5	Confident	67.5	Low	21 Å²	21	78 Å²	78	11%	0.108	43%	0.432	C	S	.	.	S	Bend	trans	-124.8	127.9	176.3	-55.7	165.6	0	0	0	110.5	L338 G555 T561 F562	L338-I557 HydrophobicContact CD2-CD1 3.64Å; L338-I557 HydrophobicContact CG-CD1 4.47Å; G555-I557 PolarHBondContact O-N 3.34Å; I557-T561 HydrophobicContact CG2-CG2 4.35Å; I557-F562 HydrophobicContact CG2-CB 4.27Å
558	P	79.7	Confident	68.7	Low	52 Å²	52	70 Å²	70	34%	0.338	39%	0.394	S	S	.	.			trans	-59.7	140.9	172.9	-24.9	34.1	0	0	0	112.6	A560 T561 F562	P558-A560 PolarHBondContact O-N 3.11Å; P558-T561 PolarHBondContact O-N 3.27Å; P558-T561 VanDerWaalsContact O-N 3.07Å; P558-F562 PolarHBondContact O-N 3.42Å
559	L	79.2	Confident	70.1	Confident	78 Å²	78	64.6 Å²	64.6	41%	0.408	36%	0.36	S	S	.	.	H	α-helix	trans	-55.8	-36	-179.2	-77.6	163.1	0	0	0	113.2	F396 F562 K563	F396-L559 HydrophobicContact CE1-CD2 4.42Å; F396-L559 HydrophobicContact CE2-CD2 4.31Å; F396-L559 HydrophobicContact CZ-CD2 3.76Å; L559-F562 PolarHBondContact O-N 3.19Å; L559-K563 WeakPolarHBondContact O-CG 3.4Å; L559-K563 PolarHBondContact O-N 3.39Å
560	A	79.6	Confident	71.7	Confident	63 Å²	63	63.9 Å²	63.9	52%	0.521	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-45.2	177.7	0	0	0	0	0	111.8	P558 F562 K563 K564	P558-A560 PolarHBondContact O-N 3.11Å; A560-F562 VanDerWaalsContact C-N 3.33Å; A560-K563 PolarHBondContact O-N 3.21Å; A560-K564 WeakPolarHBondContact O-CG 3.41Å; A560-K564 PolarHBondContact O-N 3.28Å; A560-K564 VanDerWaalsContact O-N 3.11Å
561	T	82.1	Confident	73.4	Confident	48 Å²	48	61 Å²	61	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-39.8	175.5	-50.9	0	0	0	0	110.8	L325 L328 I557 P558 K563 K564 Y565	L325-T561 HydrophobicContact CD2-CG2 4.22Å; L328-T561 HydrophobicContact CD1-CG2 4.36Å; I557-T561 HydrophobicContact CG2-CG2 4.35Å; P558-T561 PolarHBondContact O-N 3.27Å; P558-T561 VanDerWaalsContact O-N 3.07Å; T561-K563 PolarHBondContact O-N 2.93Å; T561-K564 PolarHBondContact O-N 2.76Å; T561-Y565 VanDerWaalsContact O-CB 3.3Å; T561-Y565 WeakPolarHBondContact O-CB 3.37Å; T561-Y565 PolarHBondContact O-N 3.35Å
562	F	84.1	Confident	75.2	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-44.7	177.1	-166.7	-94.5	0	0	0	112.4	L338 V342 L360 C400 I557 P558 L559 A560 Y565 I566	L338-F562 HydrophobicContact CB-CE2 3.99Å; L338-F562 HydrophobicContact CD2-CD2 3.61Å; L338-F562 HydrophobicContact CD2-CE2 3.27Å; L338-F562 HydrophobicContact CD2-CZ 4.35Å; L338-F562 HydrophobicContact CG-CE2 4.16Å; V342-F562 HydrophobicContact CG2-CE1 4.34Å; V342-F562 HydrophobicContact CG2-CZ 3.8Å; L360-F562 HydrophobicContact CD1-CE1 3.82Å; L360-F562 HydrophobicContact CD1-CZ 4.35Å; C400-F562 WeakPolarHBondContact SG-CD1 3.45Å; C400-F562 WeakPolarHBondContact SG-CE1 3.36Å; I557-F562 HydrophobicContact CG2-CB 4.27Å; P558-F562 PolarHBondContact O-N 3.42Å; L559-F562 PolarHBondContact O-N 3.19Å; A560-F562 VanDerWaalsContact C-N 3.33Å; F562-Y565 PolarHBondContact O-N 3.5Å; F562-I566 HydrophobicContact CD1-CD1 3.51Å; F562-I566 HydrophobicContact CD1-CG1 4.33Å; F562-I566 HydrophobicContact CE1-CD1 3.33Å; F562-I566 HydrophobicContact CE1-CG1 4.21Å; F562-I566 HydrophobicContact CZ-CD1 4.24Å; F562-I566 WeakPolarHBondContact O-CG1 3.37Å; F562-I566 PolarHBondContact O-N 2.96Å
563	K	84.3	Confident	77.1	Confident	69 Å²	69	55.6 Å²	55.6	30%	0.3	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-49.4	173.5	-78.4	178.7	-179.3	-170	0	112.6	R399 C400 L559 A560 T561 Y565 I566 A567	R399-K563 WeakPolarHBondContact O-CE 3.43Å; R399-K563 PolarHBondContact O-NZ 3.38Å; C400-K563 VanDerWaalsContact O-CG 3.26Å; C400-K563 WeakPolarHBondContact O-CG 3.45Å; L559-K563 WeakPolarHBondContact O-CG 3.4Å; L559-K563 PolarHBondContact O-N 3.39Å; A560-K563 PolarHBondContact O-N 3.21Å; T561-K563 PolarHBondContact O-N 2.93Å; K563-Y565 VanDerWaalsContact C-N 3.27Å; K563-Y565 PolarHBondContact O-N 2.62Å; K563-I566 PolarHBondContact O-N 2.82Å; K563-A567 PolarHBondContact O-N 3.3Å
564	K	83.7	Confident	78.9	Confident	113 Å²	113	54.2 Å²	54.2	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-43	177.2	-73.6	-178.9	174.6	-174.8	0	110.5	E321 A560 T561 A567 Y568	E321-K564 IonicContact OE1-NZ 3.28Å; E321-K564 PolarHBondContact OE1-NZ 3.17Å; A560-K564 WeakPolarHBondContact O-CG 3.41Å; A560-K564 PolarHBondContact O-N 3.28Å; A560-K564 VanDerWaalsContact O-N 3.11Å; T561-K564 PolarHBondContact O-N 2.76Å; K564-A567 PolarHBondContact O-N 2.93Å; K564-Y568 VanDerWaalsContact O-CB 3.3Å; K564-Y568 WeakPolarHBondContact O-CB 3.33Å; K564-Y568 PolarHBondContact O-N 3.02Å
565	Y	86.9	Confident	80.8	Confident	6 Å²	6	47.8 Å²	47.8	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-45.7	178.6	-172.2	-113.5	0	0	0	112.6	L325 A329 I334 L338 F361 T561 F562 K563 A567 Y568 A569 M629 L631	L325-Y565 HydrophobicContact CB-CD2 4.01Å; L325-Y565 HydrophobicContact CB-CE2 4.39Å; L325-Y565 HydrophobicContact CD2-CD2 3.73Å; L325-Y565 HydrophobicContact CD2-CG 4.29Å; L325-Y565 HydrophobicContact CG-CD2 4.34Å; L325-Y565 WeakPolarHBondContact O-CE2 3.13Å; A329-Y565 HydrophobicContact CB-CE2 4.33Å; A329-Y565 VanDerWaalsContact CB-OH 3.25Å; A329-Y565 WeakPolarHBondContact CB-OH 3.38Å; I334-Y565 HydrophobicContact CD1-CE1 3.87Å; I334-Y565 WeakPolarHBondContact CD1-OH 3.43Å; L338-Y565 HydrophobicContact CD1-CE1 4.22Å; L338-Y565 HydrophobicContact CD2-CD1 4.36Å; F361-Y565 AromaticContact CE1-CD1 3.76Å; F361-Y565 HydrophobicContact CE1-CD1 3.76Å; F361-Y565 AromaticContact CE1-CE1 3.62Å; F361-Y565 HydrophobicContact CE1-CE1 3.62Å; F361-Y565 AromaticContact CZ-CD1 3.57Å; F361-Y565 HydrophobicContact CZ-CD1 3.57Å; F361-Y565 AromaticContact CZ-CE1 3.58Å; F361-Y565 HydrophobicContact CZ-CE1 3.58Å; T561-Y565 VanDerWaalsContact O-CB 3.3Å; T561-Y565 WeakPolarHBondContact O-CB 3.37Å; T561-Y565 PolarHBondContact O-N 3.35Å; F562-Y565 PolarHBondContact O-N 3.5Å; K563-Y565 VanDerWaalsContact C-N 3.27Å; K563-Y565 PolarHBondContact O-N 2.62Å; Y565-A567 PolarHBondContact O-N 2.97Å; Y565-Y568 PolarHBondContact O-N 3.38Å; Y565-A569 WeakPolarHBondContact O-CB 3.23Å; Y565-A569 PolarHBondContact O-N 3.32Å; Y565-M629 PolarHBondContact OH-O 2.86Å; Y565-L631 HydrophobicContact CE2-CD1 4.35Å
566	I	87.8	Confident	82.5	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-47.5	175.3	-67.7	163.2	0	0	0	110.7	L360 F361 P402 F562 K563 Y568 A569 R570	L360-I566 HydrophobicContact CB-CD1 3.89Å; L360-I566 HydrophobicContact CD1-CD1 4.01Å; L360-I566 HydrophobicContact CG-CD1 4.4Å; L360-I566 WeakPolarHBondContact O-CG2 3.32Å; F361-I566 HydrophobicContact CD2-CG1 4.41Å; F361-I566 HydrophobicContact CE1-CG1 4.25Å; F361-I566 HydrophobicContact CE2-CG1 3.99Å; F361-I566 HydrophobicContact CZ-CG1 3.91Å; P402-I566 HydrophobicContact CG-CG2 4Å; F562-I566 HydrophobicContact CD1-CD1 3.51Å; F562-I566 HydrophobicContact CD1-CG1 4.33Å; F562-I566 HydrophobicContact CE1-CD1 3.33Å; F562-I566 HydrophobicContact CE1-CG1 4.21Å; F562-I566 HydrophobicContact CZ-CD1 4.24Å; F562-I566 WeakPolarHBondContact O-CG1 3.37Å; F562-I566 PolarHBondContact O-N 2.96Å; K563-I566 PolarHBondContact O-N 2.82Å; I566-Y568 VanDerWaalsContact C-N 3.3Å; I566-Y568 PolarHBondContact O-N 3.47Å; I566-A569 PolarHBondContact O-N 3.37Å; I566-R570 HydrophobicContact CG2-CG 4.26Å; I566-R570 WeakPolarHBondContact O-CB 3.47Å; I566-R570 VanDerWaalsContact O-CG 3.23Å; I566-R570 WeakPolarHBondContact O-CG 3.37Å; I566-R570 PolarHBondContact O-N 2.88Å
567	A	83.1	Confident	83.9	Confident	36 Å²	36	49.9 Å²	49.9	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-40.8	179.7	0	0	0	0	0	111.9	K563 K564 Y565 T571	K563-A567 PolarHBondContact O-N 3.3Å; K564-A567 PolarHBondContact O-N 2.93Å; Y565-A567 PolarHBondContact O-N 2.97Å; A567-T571 WeakPolarHBondContact O-CG2 3.41Å; A567-T571 PolarHBondContact O-N 3.25Å; A567-T571 PolarHBondContact O-OG1 3.09Å
568	Y	85.3	Confident	84.9	Confident	15 Å²	15	50.2 Å²	50.2	6%	0.059	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-50.6	176.6	-178	-98.7	0	0	0	112.3	E322 L325 K564 Y565 I566 R570 T571 K572 L631	E322-Y568 HydrophobicContact CG-CE2 3.98Å; L325-Y568 HydrophobicContact CB-CD1 4.47Å; L325-Y568 HydrophobicContact CD1-CD1 4.27Å; L325-Y568 HydrophobicContact CD1-CD2 4.21Å; L325-Y568 HydrophobicContact CD1-CG 3.93Å; K564-Y568 VanDerWaalsContact O-CB 3.3Å; K564-Y568 WeakPolarHBondContact O-CB 3.33Å; K564-Y568 PolarHBondContact O-N 3.02Å; Y565-Y568 PolarHBondContact O-N 3.38Å; I566-Y568 VanDerWaalsContact C-N 3.3Å; I566-Y568 PolarHBondContact O-N 3.47Å; Y568-R570 VanDerWaalsContact C-N 3.29Å; Y568-R570 PolarHBondContact O-N 2.64Å; Y568-T571 PolarHBondContact O-N 3.04Å; Y568-T571 PolarHBondContact O-OG1 2.87Å; Y568-K572 HydrophobicContact CD2-CD 4.33Å; Y568-K572 HydrophobicContact CD2-CG 4.46Å; Y568-K572 HydrophobicContact CE1-CD 4.24Å; Y568-K572 HydrophobicContact CE2-CD 3.56Å; Y568-K572 HydrophobicContact CE2-CG 4.16Å; Y568-K572 VanDerWaalsContact CE2-NZ 3.29Å; Y568-K572 VanDerWaalsContact CZ-CD 3.49Å; Y568-K572 PolarHBondContact O-N 3.04Å; Y568-K572 WeakPolarHBondContact OH-CD 3.41Å; Y568-K572 PolarHBondContact OH-NZ 3.41Å; Y568-L631 HydrophobicContact CD1-CD1 4.41Å; Y568-L631 HydrophobicContact CD1-CD2 4.29Å; Y568-L631 HydrophobicContact CE1-CD1 3.94Å; Y568-L631 HydrophobicContact CE1-CD2 4.36Å
569	A	87	Confident	85.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-34.9	178.6	0	0	0	0	0	112.4	F361 Y565 I566 T571 C573 K628 L631	F361-A569 HydrophobicContact CD1-CB 3.65Å; F361-A569 HydrophobicContact CE1-CB 3.66Å; Y565-A569 WeakPolarHBondContact O-CB 3.23Å; Y565-A569 PolarHBondContact O-N 3.32Å; I566-A569 PolarHBondContact O-N 3.37Å; A569-T571 PolarHBondContact O-N 3.17Å; A569-C573 PolarHBondContact O-N 3.31Å; A569-K628 WeakPolarHBondContact O-CE 3.26Å; A569-L631 HydrophobicContact CB-CD2 3.75Å
570	R	84.5	Confident	86.1	Confident	65 Å²	65	50.6 Å²	50.6	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-30.5	177	-74.2	-176	79.4	-157.4	0.3	114.6	F361 G442 I566 Y568 K628	F361-R570 VanDerWaalsContact O-CG 3.24Å; F361-R570 WeakPolarHBondContact O-CG 3.26Å; G442-R570 PolarHBondContact O-NH1 3.06Å; G442-R570 PolarHBondContact O-NH2 3.47Å; I566-R570 HydrophobicContact CG2-CG 4.26Å; I566-R570 WeakPolarHBondContact O-CB 3.47Å; I566-R570 VanDerWaalsContact O-CG 3.23Å; I566-R570 WeakPolarHBondContact O-CG 3.37Å; I566-R570 PolarHBondContact O-N 2.88Å; Y568-R570 VanDerWaalsContact C-N 3.29Å; Y568-R570 PolarHBondContact O-N 2.64Å; R570-K628 VanDerWaalsContact CA-CE 3.49Å
571	T	80.5	Confident	86.7	Confident	86 Å²	86	47.6 Å²	47.6	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-92.8	-41	-175.9	49.1	0	0	0	0	112.7	A567 Y568 A569	A567-T571 WeakPolarHBondContact O-CG2 3.41Å; A567-T571 PolarHBondContact O-N 3.25Å; A567-T571 PolarHBondContact O-OG1 3.09Å; Y568-T571 PolarHBondContact O-N 3.04Å; Y568-T571 PolarHBondContact O-OG1 2.87Å; A569-T571 PolarHBondContact O-N 3.17Å
572	K	82.7	Confident	87.1	Confident	96 Å²	96	47.5 Å²	47.5	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-83.8	-32.6	-176	-69.8	-151.1	-176.7	173.7	0	114.7	E322 Y568	E322-K572 IonicContact OE1-NZ 3.72Å; E322-K572 PolarHBondContact OE1-NZ 3.08Å; E322-K572 IonicContact OE2-NZ 2.82Å; E322-K572 PolarHBondContact OE2-NZ 3.26Å; Y568-K572 HydrophobicContact CD2-CD 4.33Å; Y568-K572 HydrophobicContact CD2-CG 4.46Å; Y568-K572 HydrophobicContact CE1-CD 4.24Å; Y568-K572 HydrophobicContact CE2-CD 3.56Å; Y568-K572 HydrophobicContact CE2-CG 4.16Å; Y568-K572 VanDerWaalsContact CE2-NZ 3.29Å; Y568-K572 VanDerWaalsContact CZ-CD 3.49Å; Y568-K572 PolarHBondContact O-N 3.04Å; Y568-K572 WeakPolarHBondContact OH-CD 3.41Å; Y568-K572 PolarHBondContact OH-NZ 3.41Å
573	C	82	Confident	87.5	Confident	25 Å²	25	52.1 Å²	52.1	17%	0.169	29%	0.293	C	S	.	.			trans	-110.2	126	-170.1	-66	0	0	0	0	112.6	A569 K628	A569-C573 PolarHBondContact O-N 3.31Å; C573-K628 HydrophobicContact CB-CG 4.1Å; C573-K628 WeakPolarHBondContact O-CE 3.43Å
574	G	86	Confident	87.7	Confident	52 Å²	52	51.1 Å²	51.1	54%	0.536	29%	0.288	S	S	.	.			trans	-123.7	75.2	172.1	0	0	0	0	0	111.3
575	P	90	Very high	88.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.267	C	S	.	.			trans	-65.9	150	-170.6	22.6	-30.3	0	0	0	113.2	S364 E624 A627 K628 A633	S364-P575 PolarHBondContact OG-O 2.97Å; P575-E624 HydrophobicContact CG-CB 4.11Å; P575-E624 WeakPolarHBondContact CG-O 3.39Å; P575-A627 HydrophobicContact CB-CB 3.89Å; P575-A627 HydrophobicContact CG-CB 4.3Å; P575-K628 HydrophobicContact CG-CB 4.05Å; P575-K628 HydrophobicContact CG-CG 4.49Å; P575-A633 VanDerWaalsContact CA-O 3.27Å; P575-A633 WeakPolarHBondContact CA-O 3.39Å
576	R	89.6	Confident	88.3	Confident	176 Å²	176	51.1 Å²	51.1	66%	0.664	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.6	173.5	-63.5	-172.3	177.2	-161.4	0.8	110.7	A633 V634 A635	R576-A633 PolarHBondContact N-O 3.43Å; R576-A633 VanDerWaalsContact N-O 3.12Å; R576-V634 CarbonylContact O-C 3.54Å; R576-V634 VanDerWaalsContact O-CA 3.27Å; R576-V634 WeakPolarHBondContact O-CA 3.33Å; R576-A635 PolarHBondContact O-N 3.03Å
577	L	90.8	Very high	88.4	Confident	42 Å²	42	55.6 Å²	55.6	22%	0.22	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	140.6	174.8	-83.7	80.9	0	0	0	111.1	L585 V620 E624 V640	L577-L585 HydrophobicContact CD2-CD1 3.89Å; L577-V620 HydrophobicContact CD1-CB 4.34Å; L577-V620 HydrophobicContact CD1-CG1 3.65Å; L577-V620 HydrophobicContact CD1-CG2 4.31Å; L577-V620 HydrophobicContact CD2-CG2 4.1Å; L577-E624 HydrophobicContact CD1-CG 4.05Å; L577-V640 HydrophobicContact CD2-CG2 4.48Å
578	S	94	Very high	88.6	Confident	29 Å²	29	59.9 Å²	59.9	20%	0.203	32%	0.321	C	S	.	.			trans	-70.8	156	165	61.7	0	0	0	0	111.6	A580 A581 A582 A635	S578-A580 VanDerWaalsContact C-N 3.33Å; S578-A580 PolarHBondContact O-N 2.93Å; S578-A581 PolarHBondContact O-N 3.38Å; S578-A581 WeakPolarHBondContact OG-CB 3.38Å; S578-A581 PolarHBondContact OG-N 2.84Å; S578-A582 PolarHBondContact O-N 3.39Å; S578-A635 WeakPolarHBondContact CB-O 3.19Å; S578-A635 PolarHBondContact N-O 3.38Å; S578-A635 PolarHBondContact OG-O 3.19Å
579	A	91.9	Very high	88.6	Confident	84 Å²	84	60.4 Å²	60.4	69%	0.694	32%	0.323	S	S	*	.	H	α-helix	trans	-63.2	-38.3	179.4	0	0	0	0	0	112.5	A582 E583	A579-A582 PolarHBondContact O-N 2.94Å; A579-E583 PolarHBondContact O-N 2.98Å
580	A	92.3	Very high	88.6	Confident	54 Å²	54	64.6 Å²	64.6	45%	0.446	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.7	0	0	0	0	0	111.7	S578 A582 E583 K584 E637	S578-A580 VanDerWaalsContact C-N 3.33Å; S578-A580 PolarHBondContact O-N 2.93Å; A580-A582 VanDerWaalsContact C-N 3.29Å; A580-A582 PolarHBondContact O-N 3.16Å; A580-E583 PolarHBondContact O-N 2.68Å; A580-K584 PolarHBondContact O-N 2.95Å; A580-K584 VanDerWaalsContact O-N 3.12Å; A580-E637 HydrophobicContact CB-CG 4.49Å; A580-E637 WeakPolarHBondContact CB-OE1 3.5Å
581	A	92	Very high	88.7	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-36.9	175.4	0	0	0	0	0	112.4	S578 K584 L585 E637 V640	S578-A581 PolarHBondContact O-N 3.38Å; S578-A581 WeakPolarHBondContact OG-CB 3.38Å; S578-A581 PolarHBondContact OG-N 2.84Å; A581-K584 PolarHBondContact O-N 3.13Å; A581-L585 VanDerWaalsContact O-CB 3.26Å; A581-L585 WeakPolarHBondContact O-CB 3.49Å; A581-L585 PolarHBondContact O-N 3.02Å; A581-E637 HydrophobicContact CB-CG 4.5Å; A581-V640 HydrophobicContact CB-CG2 3.92Å
582	A	90.9	Very high	88.7	Confident	46 Å²	46	63.1 Å²	63.1	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-44.7	178.3	0	0	0	0	0	113.1	S578 A579 A580 L585 K586	S578-A582 PolarHBondContact O-N 3.39Å; A579-A582 PolarHBondContact O-N 2.94Å; A580-A582 VanDerWaalsContact C-N 3.29Å; A580-A582 PolarHBondContact O-N 3.16Å; A582-L585 PolarHBondContact O-N 3.15Å; A582-K586 WeakPolarHBondContact O-CB 3.41Å; A582-K586 PolarHBondContact O-N 2.73Å
583	E	91.5	Very high	88.7	Confident	101 Å²	101	65.4 Å²	65.4	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-65.5	-40	176.3	-74.5	-61.2	152	0	0	111.6	A579 A580 L585 K586 N587	A579-E583 PolarHBondContact O-N 2.98Å; A580-E583 PolarHBondContact O-N 2.68Å; E583-L585 PolarHBondContact O-N 3.03Å; E583-K586 PolarHBondContact O-N 3.44Å; E583-K586 IonicContact OE1-NZ 3.19Å; E583-K586 IonicContact OE2-NZ 3.42Å; E583-K586 PolarHBondContact OE2-NZ 2.96Å; E583-N587 VanDerWaalsContact O-CG 3.3Å; E583-N587 PolarHBondContact O-N 2.85Å; E583-N587 PolarHBondContact O-ND2 2.83Å
584	K	90.2	Very high	88.7	Confident	48 Å²	48	66.7 Å²	66.7	21%	0.209	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-45.7	175.4	-169.6	177.2	-172.7	178.6	0	112	A580 A581 N587 R588 E637 D641	A580-K584 PolarHBondContact O-N 2.95Å; A580-K584 VanDerWaalsContact O-N 3.12Å; A581-K584 PolarHBondContact O-N 3.13Å; K584-N587 PolarHBondContact O-N 3.25Å; K584-R588 WeakPolarHBondContact O-CG 3.41Å; K584-R588 PolarHBondContact O-N 3.02Å; K584-E637 HydrophobicContact CD-CB 4.29Å; K584-E637 HydrophobicContact CD-CG 4.21Å; K584-E637 IonicContact NZ-OE2 3.96Å; K584-E637 PolarHBondContact NZ-OE2 3.05Å; K584-E637 VanDerWaalsContact NZ-OE2 3.17Å; K584-D641 WeakPolarHBondContact CE-OD1 3.21Å; K584-D641 IonicContact NZ-OD1 2.76Å; K584-D641 PolarHBondContact NZ-OD1 3.33Å; K584-D641 IonicContact NZ-OD2 3.7Å; K584-D641 PolarHBondContact NZ-OD2 2.78Å
585	L	91.1	Very high	88.3	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-42	179.3	-160.9	163	0	0	0	111	L577 A581 A582 E583 R588 Y589 L616 I619 V620 V640	L577-L585 HydrophobicContact CD2-CD1 3.89Å; A581-L585 VanDerWaalsContact O-CB 3.26Å; A581-L585 WeakPolarHBondContact O-CB 3.49Å; A581-L585 PolarHBondContact O-N 3.02Å; A582-L585 PolarHBondContact O-N 3.15Å; E583-L585 PolarHBondContact O-N 3.03Å; L585-R588 PolarHBondContact O-N 3.36Å; L585-Y589 VanDerWaalsContact O-CB 3.32Å; L585-Y589 WeakPolarHBondContact O-CB 3.44Å; L585-Y589 PolarHBondContact O-N 3.32Å; L585-L616 HydrophobicContact CD2-CD1 3.11Å; L585-L616 HydrophobicContact CD2-CG 3.87Å; L585-I619 HydrophobicContact CD1-CG2 3.96Å; L585-I619 HydrophobicContact CG-CG2 4.31Å; L585-V620 HydrophobicContact CD1-CG2 3.88Å; L585-V640 HydrophobicContact CB-CG1 4.17Å; L585-V640 HydrophobicContact CD1-CG1 4.09Å; L585-V640 HydrophobicContact CD1-CG2 4.4Å; L585-V640 HydrophobicContact CG-CG1 4.2Å
586	K	90.6	Very high	87.5	Confident	110 Å²	110	66.9 Å²	66.9	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-48.9	173.5	173.5	-176.2	158.9	-155.6	0	111.9	A582 E583 R588 Y589 V590	A582-K586 WeakPolarHBondContact O-CB 3.41Å; A582-K586 PolarHBondContact O-N 2.73Å; E583-K586 PolarHBondContact O-N 3.44Å; E583-K586 IonicContact OE1-NZ 3.19Å; E583-K586 IonicContact OE2-NZ 3.42Å; E583-K586 PolarHBondContact OE2-NZ 2.96Å; K586-R588 PolarHBondContact O-N 3.01Å; K586-Y589 PolarHBondContact O-N 2.92Å; K586-V590 WeakPolarHBondContact O-CG2 3.21Å; K586-V590 PolarHBondContact O-N 3.45Å; K586-V590 VanDerWaalsContact O-N 3.07Å
587	N	90.6	Very high	86.8	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-45.7	178.8	-69.3	-21.1	0	0	0	111.6	E583 K584 Y589 V590 V591	E583-N587 VanDerWaalsContact O-CG 3.3Å; E583-N587 PolarHBondContact O-N 2.85Å; E583-N587 PolarHBondContact O-ND2 2.83Å; K584-N587 PolarHBondContact O-N 3.25Å; N587-Y589 PolarHBondContact O-N 3.39Å; N587-V590 PolarHBondContact O-N 3.48Å; N587-V591 WeakPolarHBondContact O-CG2 3.13Å; N587-V591 PolarHBondContact O-N 3.43Å
588	R	86.3	Confident	86	Confident	125 Å²	125	67.4 Å²	67.4	47%	0.472	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-40	177.8	-72.9	-67.6	-165.8	173.9	2.9	112.7	K584 L585 K586 V591 M592 L644	K584-R588 WeakPolarHBondContact O-CG 3.41Å; K584-R588 PolarHBondContact O-N 3.02Å; L585-R588 PolarHBondContact O-N 3.36Å; K586-R588 PolarHBondContact O-N 3.01Å; R588-V591 PolarHBondContact O-N 2.93Å; R588-M592 WeakPolarHBondContact O-CG 3.37Å; R588-M592 PolarHBondContact O-N 2.98Å; R588-L644 HydrophobicContact CB-CD1 4.05Å; R588-L644 HydrophobicContact CB-CD2 4.45Å; R588-L644 HydrophobicContact CG-CD1 3.87Å
589	Y	86	Confident	84.8	Confident	27 Å²	27	71 Å²	71	11%	0.106	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-41.6	176.8	176.8	-104.1	0	0	0	112.6	L585 K586 N587 V591 M592 R593 I611 T612 L616	L585-Y589 VanDerWaalsContact O-CB 3.32Å; L585-Y589 WeakPolarHBondContact O-CB 3.44Å; L585-Y589 PolarHBondContact O-N 3.32Å; K586-Y589 PolarHBondContact O-N 2.92Å; N587-Y589 PolarHBondContact O-N 3.39Å; Y589-V591 VanDerWaalsContact C-N 3.32Å; Y589-V591 PolarHBondContact O-N 3.49Å; Y589-M592 PolarHBondContact O-N 3.46Å; Y589-R593 WeakPolarHBondContact O-CB 3.48Å; Y589-R593 PolarHBondContact O-N 3.12Å; Y589-I611 HydrophobicContact CD2-CG2 4.32Å; Y589-I611 HydrophobicContact CE2-CG2 3.65Å; Y589-T612 PolarHBondContact OH-O 3.44Å; Y589-L616 HydrophobicContact CD1-CD1 4.08Å; Y589-L616 HydrophobicContact CD2-CB 4.2Å; Y589-L616 HydrophobicContact CD2-CD1 3.56Å; Y589-L616 HydrophobicContact CE2-CB 4.12Å; Y589-L616 HydrophobicContact CE2-CD1 4.24Å; Y589-L616 HydrophobicContact CG-CD1 3.46Å; Y589-L616 VanDerWaalsContact CG-CD1 3.46Å
590	V	88	Confident	83.8	Confident	88 Å²	88	70.6 Å²	70.6	53%	0.533	36%	0.361	S	S	.	.	H	α-helix	trans	-60.8	-44.1	176.4	172.8	0	0	0	0	110.6	K586 N587 R593 S594	K586-V590 WeakPolarHBondContact O-CG2 3.21Å; K586-V590 PolarHBondContact O-N 3.45Å; K586-V590 VanDerWaalsContact O-N 3.07Å; N587-V590 PolarHBondContact O-N 3.48Å; V590-R593 PolarHBondContact O-N 2.85Å; V590-S594 PolarHBondContact O-N 3.15Å; V590-S594 PolarHBondContact O-OG 3.43Å
591	V	85.9	Confident	82.9	Confident	92 Å²	92	75.7 Å²	75.7	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-63.1	-43.8	177.4	174.2	0	0	0	0	111.9	N587 R588 Y589 R593 S594 G595	N587-V591 WeakPolarHBondContact O-CG2 3.13Å; N587-V591 PolarHBondContact O-N 3.43Å; R588-V591 PolarHBondContact O-N 2.93Å; Y589-V591 VanDerWaalsContact C-N 3.32Å; Y589-V591 PolarHBondContact O-N 3.49Å; V591-R593 VanDerWaalsContact C-N 3.32Å; V591-R593 PolarHBondContact O-N 3Å; V591-S594 WeakPolarHBondContact CA-OG 3.48Å; V591-S594 PolarHBondContact O-N 2.92Å; V591-S594 PolarHBondContact O-OG 3.27Å; V591-G595 PolarHBondContact O-N 3.44Å
592	M	80.6	Confident	81.9	Confident	27 Å²	27	83.2 Å²	83.2	13%	0.133	40%	0.404	C	S	.	.	H	α-helix	trans	-61.2	-42.5	176.6	-72.5	177.8	173.7	0	0	111.4	R588 Y589 A596 I611 L644 F647 Q648	R588-M592 WeakPolarHBondContact O-CG 3.37Å; R588-M592 PolarHBondContact O-N 2.98Å; Y589-M592 PolarHBondContact O-N 3.46Å; M592-A596 PolarHBondContact O-N 3.29Å; M592-A596 VanDerWaalsContact O-N 3.12Å; M592-I611 HydrophobicContact CB-CD1 4.15Å; M592-I611 VanDerWaalsContact O-CD1 3.28Å; M592-I611 WeakPolarHBondContact O-CD1 3.41Å; M592-L644 HydrophobicContact CE-CD2 3.74Å; M592-F647 HydrophobicContact CE-CD1 4.25Å; M592-F647 HydrophobicContact SD-CD1 4.31Å; M592-F647 HydrophobicContact SD-CE1 4.05Å; M592-Q648 HydrophobicContact CE-CG 3.92Å
593	R	82.5	Confident	80.7	Confident	145 Å²	145	83.6 Å²	83.6	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-71.7	-36.2	-179.6	-170.8	173.5	179.9	178.2	-1	113	Y589 V590 V591 R597	Y589-R593 WeakPolarHBondContact O-CB 3.48Å; Y589-R593 PolarHBondContact O-N 3.12Å; V590-R593 PolarHBondContact O-N 2.85Å; V591-R593 VanDerWaalsContact C-N 3.32Å; V591-R593 PolarHBondContact O-N 3Å; R593-R597 PolarHBondContact O-N 3.26Å
594	S	82.5	Confident	79.3	Confident	52 Å²	52	86.1 Å²	86.1	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-65.9	-45.7	173.9	59.2	0	0	0	0	110.9	V590 V591 A596 R597 D598	V590-S594 PolarHBondContact O-N 3.15Å; V590-S594 PolarHBondContact O-OG 3.43Å; V591-S594 WeakPolarHBondContact CA-OG 3.48Å; V591-S594 PolarHBondContact O-N 2.92Å; V591-S594 PolarHBondContact O-OG 3.27Å; S594-A596 VanDerWaalsContact C-N 3.34Å; S594-A596 PolarHBondContact O-N 2.89Å; S594-R597 WeakPolarHBondContact O-CB 3.49Å; S594-R597 PolarHBondContact O-N 3.31Å; S594-D598 PolarHBondContact O-N 3.12Å
595	G	77.1	Confident	78	Confident	27 Å²	27	89.6 Å²	89.6	28%	0.278	44%	0.436	S	S	.	.	H	α-helix	trans	-57.9	-43.8	177.6	0	0	0	0	0	112.9	V591 R597 D598 H599	V591-G595 PolarHBondContact O-N 3.44Å; G595-R597 VanDerWaalsContact C-N 3.3Å; G595-R597 PolarHBondContact O-N 3.33Å; G595-D598 PolarHBondContact O-N 3.18Å; G595-H599 PolarHBondContact O-CD2 2.99Å; G595-H599 PolarHBondContact O-N 3.11Å
596	A	72.9	Confident	76.5	Confident	28 Å²	28	98.8 Å²	98.8	23%	0.231	47%	0.469	C	S	.	.	H	α-helix	trans	-62.8	-35.2	176.1	0	0	0	0	0	113.2	M592 S594 E600 I611	M592-A596 PolarHBondContact O-N 3.29Å; M592-A596 VanDerWaalsContact O-N 3.12Å; S594-A596 VanDerWaalsContact C-N 3.34Å; S594-A596 PolarHBondContact O-N 2.89Å; A596-E600 PolarHBondContact O-N 2.75Å; A596-I611 HydrophobicContact CB-CD1 3.65Å; A596-I611 HydrophobicContact CB-CG1 4.3Å
597	R	74.4	Confident	75	Confident	153 Å²	153	95.8 Å²	95.8	58%	0.577	46%	0.461	S	S	*	.	H	α-helix	trans	-71.5	-36.8	177.1	-170.6	-177.9	-175.2	-175.1	1.3	112	R593 S594 G595 E600 R601	R593-R597 PolarHBondContact O-N 3.26Å; S594-R597 WeakPolarHBondContact O-CB 3.49Å; S594-R597 PolarHBondContact O-N 3.31Å; G595-R597 VanDerWaalsContact C-N 3.3Å; G595-R597 PolarHBondContact O-N 3.33Å; R597-E600 PolarHBondContact O-N 2.91Å; R597-R601 WeakPolarHBondContact O-CG 3.41Å; R597-R601 PolarHBondContact O-N 3.2Å; R597-R601 VanDerWaalsContact O-N 3.11Å
598	D	74.9	Confident	73.5	Confident	76 Å²	76	93.2 Å²	93.2	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-67.8	-41.3	176.4	-65.1	-29.6	0	0	0	110.3	S594 G595 E600 R601 E602	S594-D598 PolarHBondContact O-N 3.12Å; G595-D598 PolarHBondContact O-N 3.18Å; D598-E600 PolarHBondContact O-N 2.93Å; D598-R601 WeakPolarHBondContact O-CB 3.36Å; D598-R601 PolarHBondContact O-N 2.99Å; D598-R601 VanDerWaalsContact O-N 3.15Å; D598-E602 WeakPolarHBondContact O-CG 3.34Å; D598-E602 PolarHBondContact O-N 3.24Å
599	H	69.3	Low	72.6	Confident	105 Å²	105	88 Å²	88	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-38.6	171.2	-80.3	-63.5	0	0	0	113.7	G595 R601 E602 S603	G595-H599 PolarHBondContact O-CD2 2.99Å; G595-H599 PolarHBondContact O-N 3.11Å; H599-R601 VanDerWaalsContact C-N 3.29Å; H599-R601 PolarHBondContact O-N 3.37Å; H599-E602 PolarHBondContact O-N 3.37Å; H599-S603 VanDerWaalsContact O-CB 3.31Å; H599-S603 WeakPolarHBondContact O-CB 3.41Å; H599-S603 PolarHBondContact O-N 3.44Å; H599-S603 PolarHBondContact O-OG 3.04Å
600	E	70.9	Confident	71.9	Confident	76 Å²	76	90 Å²	90	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-38.5	174.7	-173.7	-179.3	-175.4	0	0	111.4	A596 R597 D598 N604	A596-E600 PolarHBondContact O-N 2.75Å; R597-E600 PolarHBondContact O-N 2.91Å; D598-E600 PolarHBondContact O-N 2.93Å; E600-N604 WeakPolarHBondContact O-CA 3.34Å; E600-N604 PolarHBondContact O-N 3.1Å
601	R	73.6	Confident	71.4	Confident	161 Å²	161	87.5 Å²	87.5	61%	0.608	43%	0.431	S	S	*	.	H	α-helix	trans	-68.8	-41.4	176.6	-74.7	173.2	167.4	-174.4	-5.7	112.5	R597 D598 H599	R597-R601 WeakPolarHBondContact O-CG 3.41Å; R597-R601 PolarHBondContact O-N 3.2Å; R597-R601 VanDerWaalsContact O-N 3.11Å; D598-R601 WeakPolarHBondContact O-CB 3.36Å; D598-R601 PolarHBondContact O-N 2.99Å; D598-R601 VanDerWaalsContact O-N 3.15Å; H599-R601 VanDerWaalsContact C-N 3.29Å; H599-R601 PolarHBondContact O-N 3.37Å
602	E	69.8	Low	71.3	Confident	158 Å²	158	85.1 Å²	85.1	74%	0.738	42%	0.417	S	S	*	.	H	α-helix	trans	-72.8	-39.2	-179.2	-72.2	-176.9	168	0	0	112.5	D598 H599	D598-E602 WeakPolarHBondContact O-CG 3.34Å; D598-E602 PolarHBondContact O-N 3.24Å; H599-E602 PolarHBondContact O-N 3.37Å
603	S	65.4	Low	71.6	Confident	53 Å²	53	88 Å²	88	37%	0.371	44%	0.436	S	S	.	.	H	α-helix	trans	-89.1	-11.5	-176.7	65.5	0	0	0	0	114	H599 K605	H599-S603 VanDerWaalsContact O-CB 3.31Å; H599-S603 WeakPolarHBondContact O-CB 3.41Å; H599-S603 PolarHBondContact O-N 3.44Å; H599-S603 PolarHBondContact O-OG 3.04Å; S603-K605 PolarHBondContact O-N 3.36Å; S603-K605 PolarHBondContact OG-N 3.15Å; S603-K605 PolarHBondContact OG-O 2.89Å
604	N	62.5	Low	71.7	Confident	154 Å²	154	84.8 Å²	84.8	82%	0.824	42%	0.424	S	S	*	.	S	Bend	trans	49.4	17.4	-171.3	-99.1	-24.3	0	0	0	113.7	E600	E600-N604 WeakPolarHBondContact O-CA 3.34Å; E600-N604 PolarHBondContact O-N 3.1Å
605	K	62.2	Low	71.9	Confident	122 Å²	122	82.5 Å²	82.5	53%	0.53	41%	0.408	S	S	.	.	S	Bend	trans	-122.9	139.2	179.7	-76.5	-173.9	176.3	-168	0	108.1	S603	S603-K605 PolarHBondContact O-N 3.36Å; S603-K605 PolarHBondContact OG-N 3.15Å; S603-K605 PolarHBondContact OG-O 2.89Å
606	R	60.3	Low	72.4	Confident	200 Å²	200	83.4 Å²	83.4	76%	0.755	41%	0.406	S	S	*	.			trans	-72.3	130.5	175.4	-68.3	-176.1	176.6	168.3	2.9	108.3	S608	R606-S608 PolarHBondContact O-N 3.44Å
607	P	59.7	Low	73.2	Confident	47 Å²	47	84.5 Å²	84.5	31%	0.305	41%	0.406	S	S	.	.			trans	-59.8	141	172.1	25.2	-32.8	0	0	0	109.6	I609	P607-I609 PolarHBondContact O-N 3.19Å; P607-I609 VanDerWaalsContact O-N 3.12Å
608	S	57.7	Low	73.9	Confident	41 Å²	41	77.2 Å²	77.2	29%	0.287	38%	0.379	S	S	.	.	S	Bend	trans	-57.2	-27.6	-179.2	-177.4	0	0	0	0	112.7	R606	R606-S608 PolarHBondContact O-N 3.44Å
609	I	68.5	Low	74.7	Confident	17 Å²	17	73.8 Å²	73.8	9%	0.087	36%	0.36	C	S	.	.	S	Bend	trans	-123.6	111.5	-179.1	-54.6	171.7	0	0	0	110.4	I520 P607 A654	I520-I609 HydrophobicContact CD1-CD1 4.1Å; P607-I609 PolarHBondContact O-N 3.19Å; P607-I609 VanDerWaalsContact O-N 3.12Å; I609-A654 HydrophobicContact CD1-CB 4.26Å
610	P	70.3	Confident	75.8	Confident	68 Å²	68	70.2 Å²	70.2	44%	0.442	35%	0.346	S	S	.	.			trans	-76.5	136.6	175.3	28.9	-32.7	0	0	0	111.9	T612	P610-T612 HydrophobicContact CB-CG2 4.35Å; P610-T612 HydrophobicContact CG-CG2 4.28Å; P610-T612 PolarHBondContact O-N 3.31Å; P610-T612 VanDerWaalsContact O-N 3.11Å
611	I	79.1	Confident	76.8	Confident	35 Å²	35	67.7 Å²	67.7	18%	0.179	33%	0.333	C	S	.	.			trans	-75.2	101.4	173.2	-58.3	178.3	0	0	0	109.1	Y589 M592 A596	Y589-I611 HydrophobicContact CD2-CG2 4.32Å; Y589-I611 HydrophobicContact CE2-CG2 3.65Å; M592-I611 HydrophobicContact CB-CD1 4.15Å; M592-I611 VanDerWaalsContact O-CD1 3.28Å; M592-I611 WeakPolarHBondContact O-CD1 3.41Å; A596-I611 HydrophobicContact CB-CD1 3.65Å; A596-I611 HydrophobicContact CB-CG1 4.3Å
612	T	83.3	Confident	77.7	Confident	42 Å²	42	60 Å²	60	26%	0.258	30%	0.304	S	S	.	.			trans	-105.2	175.1	-178.6	63.6	0	0	0	0	112.1	Y589 P610 R614 Q615	Y589-T612 PolarHBondContact OH-O 3.44Å; P610-T612 HydrophobicContact CB-CG2 4.35Å; P610-T612 HydrophobicContact CG-CG2 4.28Å; P610-T612 PolarHBondContact O-N 3.31Å; P610-T612 VanDerWaalsContact O-N 3.11Å; T612-R614 PolarHBondContact O-N 2.98Å; T612-R614 PolarHBondContact OG1-N 3.34Å; T612-Q615 PolarHBondContact O-N 3.44Å
613	V	85.5	Confident	78.9	Confident	88 Å²	88	52.5 Å²	52.5	53%	0.533	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-24.9	173.2	-177	0	0	0	0	111.5	Q615 L616 E617	V613-Q615 VanDerWaalsContact C-N 3.26Å; V613-Q615 PolarHBondContact O-N 2.84Å; V613-L616 VanDerWaalsContact O-CB 3.25Å; V613-L616 WeakPolarHBondContact O-CB 3.4Å; V613-L616 PolarHBondContact O-N 3.43Å; V613-L616 VanDerWaalsContact O-N 3.11Å; V613-E617 PolarHBondContact O-N 3.3Å
614	R	85.4	Confident	80.2	Confident	77 Å²	77	50 Å²	50	29%	0.291	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-36	175.7	-68.1	-175.5	174.7	153.1	-1.3	112.5	E466 T612 L616 E617 A618	E466-R614 IonicContact OE1-CZ 3.17Å; E466-R614 IonicContact OE1-NE 3.59Å; E466-R614 PolarHBondContact OE1-NE 2.98Å; E466-R614 IonicContact OE1-NH2 3.03Å; E466-R614 PolarHBondContact OE1-NH2 2.79Å; E466-R614 IonicContact OE2-CZ 3.61Å; E466-R614 VanDerWaalsContact OE2-CZ 3.28Å; E466-R614 IonicContact OE2-NE 2.77Å; E466-R614 IonicContact OE2-NH1 3.17Å; E466-R614 IonicContact OE2-NH2 2.63Å; E466-R614 PolarHBondContact OE2-NH2 2.79Å; T612-R614 PolarHBondContact O-N 2.98Å; T612-R614 PolarHBondContact OG1-N 3.34Å; R614-L616 VanDerWaalsContact C-N 3.31Å; R614-E617 PolarHBondContact O-N 2.8Å; R614-A618 WeakPolarHBondContact O-CB 3.26Å; R614-A618 PolarHBondContact O-N 3.27Å
615	Q	86.3	Confident	81.6	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-34.2	177.5	-60.3	-86.8	-60.3	0	0	110.8	T612 V613 A618 I619 F647	T612-Q615 PolarHBondContact O-N 3.44Å; V613-Q615 VanDerWaalsContact C-N 3.26Å; V613-Q615 PolarHBondContact O-N 2.84Å; Q615-A618 WeakPolarHBondContact O-CB 3.41Å; Q615-A618 PolarHBondContact O-N 2.76Å; Q615-I619 WeakPolarHBondContact O-CG1 3.45Å; Q615-I619 PolarHBondContact O-N 3.27Å; Q615-I619 VanDerWaalsContact O-N 3.09Å; Q615-F647 HydrophobicContact CB-CE2 4.17Å; Q615-F647 HydrophobicContact CB-CZ 3.98Å; Q615-F647 HydrophobicContact CG-CZ 4.42Å
616	L	88.6	Confident	83.1	Confident	46 Å²	46	37.4 Å²	37.4	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-46.3	171.2	-168.3	83.7	0	0	0	111.2	L585 Y589 V613 R614 A618 I619 V620	L585-L616 HydrophobicContact CD2-CD1 3.11Å; L585-L616 HydrophobicContact CD2-CG 3.87Å; Y589-L616 HydrophobicContact CD1-CD1 4.08Å; Y589-L616 HydrophobicContact CD2-CB 4.2Å; Y589-L616 HydrophobicContact CD2-CD1 3.56Å; Y589-L616 HydrophobicContact CE2-CB 4.12Å; Y589-L616 HydrophobicContact CE2-CD1 4.24Å; Y589-L616 HydrophobicContact CG-CD1 3.46Å; Y589-L616 VanDerWaalsContact CG-CD1 3.46Å; V613-L616 VanDerWaalsContact O-CB 3.25Å; V613-L616 WeakPolarHBondContact O-CB 3.4Å; V613-L616 PolarHBondContact O-N 3.43Å; V613-L616 VanDerWaalsContact O-N 3.11Å; R614-L616 VanDerWaalsContact C-N 3.31Å; L616-A618 VanDerWaalsContact C-N 3.28Å; L616-A618 PolarHBondContact O-N 2.85Å; L616-I619 PolarHBondContact O-N 2.81Å; L616-V620 WeakPolarHBondContact O-CG2 3.37Å; L616-V620 PolarHBondContact O-N 2.65Å; L616-V620 VanDerWaalsContact O-N 3.1Å
617	E	88.7	Confident	84.6	Confident	52 Å²	52	27.9 Å²	27.9	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-36.8	175.9	-67.7	-171.9	169	0	0	111.9	R374 V613 R614 V620 R621	R374-E617 IonicContact CZ-OE1 2.71Å; R374-E617 IonicContact NH1-OE1 2.74Å; R374-E617 PolarHBondContact NH1-OE1 3.15Å; V613-E617 PolarHBondContact O-N 3.3Å; R614-E617 PolarHBondContact O-N 2.8Å; E617-V620 WeakPolarHBondContact O-CB 3.23Å; E617-V620 PolarHBondContact O-N 3.17Å; E617-R621 WeakPolarHBondContact O-CG 3.04Å; E617-R621 PolarHBondContact O-N 3.1Å; E617-R621 IonicContact OE2-NH2 3.46Å; E617-R621 PolarHBondContact OE2-NH2 3.23Å
618	A	89.6	Confident	86.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-50	174.9	0	0	0	0	0	112	D518 R614 Q615 L616 V620 R621 I622	D518-A618 HydrophobicContact CB-CB 3.56Å; D518-A618 VanDerWaalsContact CG-CB 3.49Å; D518-A618 WeakPolarHBondContact OD1-CB 3.41Å; R614-A618 WeakPolarHBondContact O-CB 3.26Å; R614-A618 PolarHBondContact O-N 3.27Å; Q615-A618 WeakPolarHBondContact O-CB 3.41Å; Q615-A618 PolarHBondContact O-N 2.76Å; L616-A618 VanDerWaalsContact C-N 3.28Å; L616-A618 PolarHBondContact O-N 2.85Å; A618-V620 VanDerWaalsContact C-N 3.27Å; A618-V620 PolarHBondContact O-N 2.7Å; A618-R621 PolarHBondContact O-N 3.34Å; A618-R621 VanDerWaalsContact O-N 3.08Å; A618-I622 WeakPolarHBondContact O-CG1 3.24Å; A618-I622 PolarHBondContact O-N 3.37Å
619	I	91.6	Very high	87.6	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-41.1	177.9	-63.6	160.4	0	0	0	110.5	L585 Q615 L616 R621 I622 A623 A643 L644 F647	L585-I619 HydrophobicContact CD1-CG2 3.96Å; L585-I619 HydrophobicContact CG-CG2 4.31Å; Q615-I619 WeakPolarHBondContact O-CG1 3.45Å; Q615-I619 PolarHBondContact O-N 3.27Å; Q615-I619 VanDerWaalsContact O-N 3.09Å; L616-I619 PolarHBondContact O-N 2.81Å; I619-R621 PolarHBondContact O-N 2.8Å; I619-I622 PolarHBondContact O-N 2.95Å; I619-A623 WeakPolarHBondContact O-CB 3.06Å; I619-A623 PolarHBondContact O-N 2.91Å; I619-A643 HydrophobicContact CG2-CB 4.25Å; I619-L644 HydrophobicContact CD1-CD2 3.96Å; I619-L644 HydrophobicContact CG2-CD2 4.11Å; I619-L644 HydrophobicContact CG2-CG 4.33Å; I619-F647 HydrophobicContact CD1-CD1 4Å; I619-F647 HydrophobicContact CD1-CD2 4.3Å; I619-F647 HydrophobicContact CD1-CE1 4.16Å; I619-F647 HydrophobicContact CD1-CE2 4.44Å; I619-F647 HydrophobicContact CD1-CG 4.06Å; I619-F647 HydrophobicContact CD1-CZ 4.37Å; I619-F647 HydrophobicContact CG1-CB 4.21Å; I619-F647 HydrophobicContact CG1-CD1 4.34Å; I619-F647 HydrophobicContact CG1-CD2 3.91Å; I619-F647 HydrophobicContact CG1-CE2 4.35Å; I619-F647 HydrophobicContact CG1-CG 3.88Å
620	V	92.4	Very high	88.6	Confident	31 Å²	31	26.8 Å²	26.8	19%	0.188	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-45.4	174.4	162.2	0	0	0	0	111.6	L577 L585 L616 E617 A618 A623 E624	L577-V620 HydrophobicContact CD1-CB 4.34Å; L577-V620 HydrophobicContact CD1-CG1 3.65Å; L577-V620 HydrophobicContact CD1-CG2 4.31Å; L577-V620 HydrophobicContact CD2-CG2 4.1Å; L585-V620 HydrophobicContact CD1-CG2 3.88Å; L616-V620 WeakPolarHBondContact O-CG2 3.37Å; L616-V620 PolarHBondContact O-N 2.65Å; L616-V620 VanDerWaalsContact O-N 3.1Å; E617-V620 WeakPolarHBondContact O-CB 3.23Å; E617-V620 PolarHBondContact O-N 3.17Å; A618-V620 VanDerWaalsContact C-N 3.27Å; A618-V620 PolarHBondContact O-N 2.7Å; V620-A623 PolarHBondContact O-N 3.41Å; V620-E624 WeakPolarHBondContact O-CB 3.28Å; V620-E624 VanDerWaalsContact O-CG 3.31Å; V620-E624 WeakPolarHBondContact O-CG 3.44Å; V620-E624 PolarHBondContact O-N 2.86Å
621	R	92.3	Very high	89.5	Confident	22 Å²	22	25.2 Å²	25.2	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-38.5	177.6	-68.6	175.4	-163.7	141	11	112.5	R375 D377 I378 D518 E617 A618 I619 E624 S625	R375-R621 PolarHBondContact O-NE 3.2Å; D377-R621 WeakPolarHBondContact O-CD 3.33Å; I378-R621 HydrophobicContact CD1-CB 4.3Å; I378-R621 HydrophobicContact CG1-CB 3.84Å; D518-R621 IonicContact OD1-NH1 3.15Å; D518-R621 PolarHBondContact OD1-NH1 3.18Å; D518-R621 IonicContact OD2-NH1 3.61Å; D518-R621 PolarHBondContact OD2-NH1 3.11Å; E617-R621 WeakPolarHBondContact O-CG 3.04Å; E617-R621 PolarHBondContact O-N 3.1Å; E617-R621 IonicContact OE2-NH2 3.46Å; E617-R621 PolarHBondContact OE2-NH2 3.23Å; A618-R621 PolarHBondContact O-N 3.34Å; A618-R621 VanDerWaalsContact O-N 3.08Å; I619-R621 PolarHBondContact O-N 2.8Å; R621-E624 PolarHBondContact O-N 3.43Å; R621-S625 WeakPolarHBondContact O-CB 3.45Å; R621-S625 PolarHBondContact O-N 3.04Å
622	I	92.9	Very high	90	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-47.1	177.3	-63.5	162.1	0	0	0	109.9	I378 M519 A618 I619 E624 S625 L626 A643 L646	I378-I622 HydrophobicContact CD1-CG1 4.13Å; M519-I622 HydrophobicContact CE-CD1 4.08Å; M519-I622 HydrophobicContact CE-CG1 4.12Å; M519-I622 HydrophobicContact CG-CD1 3.77Å; M519-I622 HydrophobicContact SD-CD1 3.69Å; M519-I622 HydrophobicContact SD-CG1 4.29Å; A618-I622 WeakPolarHBondContact O-CG1 3.24Å; A618-I622 PolarHBondContact O-N 3.37Å; I619-I622 PolarHBondContact O-N 2.95Å; I622-E624 VanDerWaalsContact C-N 3.33Å; I622-E624 PolarHBondContact O-N 2.96Å; I622-S625 WeakPolarHBondContact O-CB 3.25Å; I622-S625 PolarHBondContact O-N 3.19Å; I622-S625 VanDerWaalsContact O-N 3.11Å; I622-L626 HydrophobicContact CG2-CD1 4.35Å; I622-L626 WeakPolarHBondContact O-CG 3.35Å; I622-L626 PolarHBondContact O-N 3.03Å; I622-A643 HydrophobicContact CB-CB 4.05Å; I622-A643 HydrophobicContact CG2-CB 3.65Å; I622-L646 HydrophobicContact CG2-CD1 4.27Å
623	A	93.8	Very high	90.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-40.8	176.5	0	0	0	0	0	112.1	I619 V620 L626 A627 V640 A643	I619-A623 WeakPolarHBondContact O-CB 3.06Å; I619-A623 PolarHBondContact O-N 2.91Å; V620-A623 PolarHBondContact O-N 3.41Å; A623-L626 PolarHBondContact O-N 2.82Å; A623-A627 PolarHBondContact O-N 3.44Å; A623-V640 HydrophobicContact CB-CG2 3.89Å; A623-A643 HydrophobicContact CB-CB 4.15Å
624	E	92.7	Very high	90.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-42.5	172.6	-76.5	176.8	-167.5	0	0	111.9	S364 K366 P575 L577 V620 R621 I622 A627 K628	S364-E624 WeakPolarHBondContact CB-OE2 3.48Å; S364-E624 PolarHBondContact N-OE2 3.05Å; S364-E624 PolarHBondContact OG-OE2 3.37Å; K366-E624 WeakPolarHBondContact CE-OE1 2.77Å; K366-E624 IonicContact NZ-OE1 2.83Å; K366-E624 PolarHBondContact NZ-OE1 3.37Å; P575-E624 HydrophobicContact CG-CB 4.11Å; P575-E624 WeakPolarHBondContact CG-O 3.39Å; L577-E624 HydrophobicContact CD1-CG 4.05Å; V620-E624 WeakPolarHBondContact O-CB 3.28Å; V620-E624 VanDerWaalsContact O-CG 3.31Å; V620-E624 WeakPolarHBondContact O-CG 3.44Å; V620-E624 PolarHBondContact O-N 2.86Å; R621-E624 PolarHBondContact O-N 3.43Å; I622-E624 VanDerWaalsContact C-N 3.33Å; I622-E624 PolarHBondContact O-N 2.96Å; E624-A627 PolarHBondContact O-N 3.27Å; E624-K628 VanDerWaalsContact O-CB 3.29Å; E624-K628 WeakPolarHBondContact O-CB 3.21Å; E624-K628 PolarHBondContact O-N 3.36Å
625	S	93.1	Very high	90.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-42.1	177	-175	0	0	0	0	112	C358 R621 I622 K628 M629	C358-S625 WeakPolarHBondContact CA-OG 3.42Å; C358-S625 PolarHBondContact O-OG 2.99Å; R621-S625 WeakPolarHBondContact O-CB 3.45Å; R621-S625 PolarHBondContact O-N 3.04Å; I622-S625 WeakPolarHBondContact O-CB 3.25Å; I622-S625 PolarHBondContact O-N 3.19Å; I622-S625 VanDerWaalsContact O-N 3.11Å; S625-K628 VanDerWaalsContact O-CB 3.29Å; S625-K628 WeakPolarHBondContact O-CB 3.49Å; S625-K628 PolarHBondContact O-N 3.44Å; S625-M629 WeakPolarHBondContact O-CG 3.4Å; S625-M629 PolarHBondContact O-N 3.22Å
626	L	92.5	Very high	91.2	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-45.4	175.8	-69.5	171	0	0	0	112.2	Y335 I622 A623 K628 M629 K630 E639 E642 A643	Y335-L626 HydrophobicContact CD2-CD2 3.8Å; Y335-L626 HydrophobicContact CE2-CD2 3.26Å; I622-L626 HydrophobicContact CG2-CD1 4.35Å; I622-L626 WeakPolarHBondContact O-CG 3.35Å; I622-L626 PolarHBondContact O-N 3.03Å; A623-L626 PolarHBondContact O-N 2.82Å; L626-K628 VanDerWaalsContact C-N 3.26Å; L626-K628 PolarHBondContact O-N 3.12Å; L626-M629 HydrophobicContact CD2-SD 4.45Å; L626-M629 WeakPolarHBondContact O-CB 3.27Å; L626-M629 PolarHBondContact O-N 2.92Å; L626-K630 PolarHBondContact O-N 3.31Å; L626-E639 HydrophobicContact CB-CB 4.14Å; L626-E639 HydrophobicContact CB-CG 4.02Å; L626-E639 WeakPolarHBondContact CD1-O 3.39Å; L626-E642 HydrophobicContact CD1-CB 4.13Å; L626-E642 HydrophobicContact CD1-CG 4.17Å; L626-A643 HydrophobicContact CD1-CB 4.19Å
627	A	92	Very high	91.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-37.7	174.8	0	0	0	0	0	111.6	P575 A623 E624 M629 K630 L631 Q632 A635 E639	P575-A627 HydrophobicContact CB-CB 3.89Å; P575-A627 HydrophobicContact CG-CB 4.3Å; A623-A627 PolarHBondContact O-N 3.44Å; E624-A627 PolarHBondContact O-N 3.27Å; A627-M629 PolarHBondContact O-N 3.47Å; A627-K630 CarbonylContact O-C 3.44Å; A627-K630 PolarHBondContact O-N 3.12Å; A627-L631 PolarHBondContact O-N 2.9Å; A627-Q632 HydrophobicContact CB-CB 4.48Å; A627-Q632 PolarHBondContact O-N 3.36Å; A627-A635 HydrophobicContact CB-CB 3.87Å; A627-E639 HydrophobicContact CB-CG 4.42Å
628	K	90.9	Very high	91.4	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-35.5	177.9	-157	175	-174.7	-175.2	0	113	F361 G362 G363 A569 R570 C573 P575 E624 S625 L626 K630 L631	F361-K628 PolarHBondContact O-NZ 3.1Å; G362-K628 VanDerWaalsContact O-CD 3.23Å; G362-K628 WeakPolarHBondContact O-CD 3.39Å; G362-K628 PolarHBondContact O-NZ 3.33Å; G363-K628 PolarHBondContact O-NZ 2.81Å; G363-K628 VanDerWaalsContact O-NZ 3.14Å; A569-K628 WeakPolarHBondContact O-CE 3.26Å; R570-K628 VanDerWaalsContact CA-CE 3.49Å; C573-K628 HydrophobicContact CB-CG 4.1Å; C573-K628 WeakPolarHBondContact O-CE 3.43Å; P575-K628 HydrophobicContact CG-CB 4.05Å; P575-K628 HydrophobicContact CG-CG 4.49Å; E624-K628 VanDerWaalsContact O-CB 3.29Å; E624-K628 WeakPolarHBondContact O-CB 3.21Å; E624-K628 PolarHBondContact O-N 3.36Å; S625-K628 VanDerWaalsContact O-CB 3.29Å; S625-K628 WeakPolarHBondContact O-CB 3.49Å; S625-K628 PolarHBondContact O-N 3.44Å; L626-K628 VanDerWaalsContact C-N 3.26Å; L626-K628 PolarHBondContact O-N 3.12Å; K628-K630 VanDerWaalsContact C-N 3.26Å; K628-K630 PolarHBondContact O-N 2.7Å; K628-L631 PolarHBondContact O-N 3.43Å
629	M	90.1	Very high	91.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-32.9	173.9	-69.1	-179.1	-161.3	0	0	112.7	Y335 L338 T357 C358 F361 Y565 S625 L626 A627 L631	Y335-M629 HydrophobicContact CD2-SD 3.78Å; Y335-M629 HydrophobicContact CE2-SD 4.14Å; L338-M629 HydrophobicContact CD1-CB 4.45Å; L338-M629 HydrophobicContact CD1-CG 4.5Å; L338-M629 HydrophobicContact CD1-SD 4.45Å; T357-M629 HydrophobicContact CG2-CE 3.69Å; T357-M629 HydrophobicContact CG2-SD 3.92Å; T357-M629 WeakPolarHBondContact O-CE 3.34Å; C358-M629 HydrophobicContact CB-CE 4.02Å; C358-M629 VanDerWaalsContact N-CE 3.28Å; C358-M629 VanDerWaalsContact SG-CE 3.55Å; F361-M629 HydrophobicContact CB-CG 4.34Å; F361-M629 HydrophobicContact CD1-CG 4.06Å; F361-M629 HydrophobicContact CD2-CE 3.84Å; F361-M629 HydrophobicContact CD2-CG 3.61Å; F361-M629 HydrophobicContact CD2-SD 4.3Å; F361-M629 HydrophobicContact CE1-CG 4.24Å; F361-M629 HydrophobicContact CE2-CE 4.44Å; F361-M629 HydrophobicContact CE2-CG 3.82Å; F361-M629 HydrophobicContact CE2-SD 4.43Å; F361-M629 HydrophobicContact CG-CE 4.43Å; F361-M629 HydrophobicContact CG-CG 3.73Å; F361-M629 HydrophobicContact CZ-CG 4.12Å; Y565-M629 PolarHBondContact OH-O 2.86Å; S625-M629 WeakPolarHBondContact O-CG 3.4Å; S625-M629 PolarHBondContact O-N 3.22Å; L626-M629 HydrophobicContact CD2-SD 4.45Å; L626-M629 WeakPolarHBondContact O-CB 3.27Å; L626-M629 PolarHBondContact O-N 2.92Å; A627-M629 PolarHBondContact O-N 3.47Å; M629-L631 VanDerWaalsContact C-N 3.28Å
630	K	89.6	Confident	91.5	Very high	71 Å²	71	32.4 Å²	32.4	31%	0.309	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.3	175.1	-60.5	179.8	-176.2	173.5	0	112.9	I334 L626 A627 K628 Q632 E639	I334-K630 HydrophobicContact CG2-CG 4.43Å; L626-K630 PolarHBondContact O-N 3.31Å; A627-K630 CarbonylContact O-C 3.44Å; A627-K630 PolarHBondContact O-N 3.12Å; K628-K630 VanDerWaalsContact C-N 3.26Å; K628-K630 PolarHBondContact O-N 2.7Å; K630-Q632 HydrophobicContact CB-CG 3.9Å; K630-Q632 PolarHBondContact O-N 2.91Å; K630-Q632 VanDerWaalsContact O-N 3.16Å; K630-E639 IonicContact NZ-OE1 2.76Å; K630-E639 PolarHBondContact NZ-OE1 2.73Å
631	L	89.3	Confident	91.5	Very high	35 Å²	35	34 Å²	34	18%	0.183	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	26	-171.2	-59.2	177.5	0	0	0	114.3	A329 Y565 Y568 A569 A627 K628 M629	A329-L631 HydrophobicContact CB-CB 4.26Å; A329-L631 HydrophobicContact CB-CD1 3.46Å; A329-L631 VanDerWaalsContact CB-CD1 3.46Å; A329-L631 HydrophobicContact CB-CG 3.76Å; Y565-L631 HydrophobicContact CE2-CD1 4.35Å; Y568-L631 HydrophobicContact CD1-CD1 4.41Å; Y568-L631 HydrophobicContact CD1-CD2 4.29Å; Y568-L631 HydrophobicContact CE1-CD1 3.94Å; Y568-L631 HydrophobicContact CE1-CD2 4.36Å; A569-L631 HydrophobicContact CB-CD2 3.75Å; A627-L631 PolarHBondContact O-N 2.9Å; K628-L631 PolarHBondContact O-N 3.43Å; M629-L631 VanDerWaalsContact C-N 3.28Å
632	Q	88.9	Confident	91.4	Very high	80 Å²	80	35 Å²	35	37%	0.374	19%	0.19	S	C	.	.			trans	-82.6	141.5	178.5	-68.8	177.3	-17	0	0	111	A627 K630	A627-Q632 HydrophobicContact CB-CB 4.48Å; A627-Q632 PolarHBondContact O-N 3.36Å; K630-Q632 HydrophobicContact CB-CG 3.9Å; K630-Q632 PolarHBondContact O-N 2.91Å; K630-Q632 VanDerWaalsContact O-N 3.16Å
633	A	89.6	Confident	91.4	Very high	72 Å²	72	35 Å²	35	60%	0.595	19%	0.19	S	C	*	.	S	Bend	trans	-80.9	-17.6	178	0	0	0	0	0	113.4	P575 R576	P575-A633 VanDerWaalsContact CA-O 3.27Å; P575-A633 WeakPolarHBondContact CA-O 3.39Å; R576-A633 PolarHBondContact N-O 3.43Å; R576-A633 VanDerWaalsContact N-O 3.12Å
634	V	91.7	Very high	91.2	Very high	82 Å²	82	35.4 Å²	35.4	50%	0.497	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.2	-177.3	-177.3	0	0	0	0	109.1	R576	R576-V634 CarbonylContact O-C 3.54Å; R576-V634 VanDerWaalsContact O-CA 3.27Å; R576-V634 WeakPolarHBondContact O-CA 3.33Å
635	A	91.7	Very high	91.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.1	171.7	0	0	0	0	0	109.9	R576 S578 A627	R576-A635 PolarHBondContact O-N 3.03Å; S578-A635 WeakPolarHBondContact CB-O 3.19Å; S578-A635 PolarHBondContact N-O 3.38Å; S578-A635 PolarHBondContact OG-O 3.19Å; A627-A635 HydrophobicContact CB-CB 3.87Å
636	G	92.6	Very high	90.9	Very high	23 Å²	23	39 Å²	39	24%	0.237	21%	0.205	C	C	.	.			trans	-85.5	-168	177.9	0	0	0	0	0	112.4	E639	G636-E639 VanDerWaalsContact CA-OE2 3.24Å; G636-E639 WeakPolarHBondContact CA-OE2 3.33Å; G636-E639 PolarHBondContact N-OE2 3.2Å
637	E	91.9	Very high	90.6	Very high	85 Å²	85	38.8 Å²	38.8	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-74.7	-31.4	177.7	-67	-169.3	-165	0	0	113.1	A580 A581 K584 V640 D641	A580-E637 HydrophobicContact CB-CG 4.49Å; A580-E637 WeakPolarHBondContact CB-OE1 3.5Å; A581-E637 HydrophobicContact CB-CG 4.5Å; K584-E637 HydrophobicContact CD-CB 4.29Å; K584-E637 HydrophobicContact CD-CG 4.21Å; K584-E637 IonicContact NZ-OE2 3.96Å; K584-E637 PolarHBondContact NZ-OE2 3.05Å; K584-E637 VanDerWaalsContact NZ-OE2 3.17Å; E637-V640 PolarHBondContact O-N 2.93Å; E637-D641 PolarHBondContact O-N 3.43Å
638	E	90	Very high	90.2	Very high	147 Å²	147	42.4 Å²	42.4	69%	0.687	22%	0.221	S	C	*	.	H	α-helix	trans	-64.3	-43.2	-179.4	-62.5	-176.3	174	0	0	111.4	V640 D641 E642	E638-V640 VanDerWaalsContact C-N 3.29Å; E638-V640 PolarHBondContact O-N 3.21Å; E638-D641 PolarHBondContact O-N 3.26Å; E638-E642 PolarHBondContact O-N 3.11Å; E638-E642 VanDerWaalsContact O-N 3.08Å
639	E	91.3	Very high	89.8	Confident	9 Å²	9	44.9 Å²	44.9	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-36.1	176.4	-67.5	72.2	-146.1	0	0	111.7	L626 A627 K630 G636 A643	L626-E639 HydrophobicContact CB-CB 4.14Å; L626-E639 HydrophobicContact CB-CG 4.02Å; L626-E639 WeakPolarHBondContact CD1-O 3.39Å; A627-E639 HydrophobicContact CB-CG 4.42Å; K630-E639 IonicContact NZ-OE1 2.76Å; K630-E639 PolarHBondContact NZ-OE1 2.73Å; G636-E639 VanDerWaalsContact CA-OE2 3.24Å; G636-E639 WeakPolarHBondContact CA-OE2 3.33Å; G636-E639 PolarHBondContact N-OE2 3.2Å; E639-A643 VanDerWaalsContact O-CB 3.27Å; E639-A643 WeakPolarHBondContact O-CB 3.15Å; E639-A643 PolarHBondContact O-N 3.22Å
640	V	92.7	Very high	89.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-38.9	177.3	171.3	0	0	0	0	111.3	L577 A581 L585 A623 E637 E638 A643 L644	L577-V640 HydrophobicContact CD2-CG2 4.48Å; A581-V640 HydrophobicContact CB-CG2 3.92Å; L585-V640 HydrophobicContact CB-CG1 4.17Å; L585-V640 HydrophobicContact CD1-CG1 4.09Å; L585-V640 HydrophobicContact CD1-CG2 4.4Å; L585-V640 HydrophobicContact CG-CG1 4.2Å; A623-V640 HydrophobicContact CB-CG2 3.89Å; E637-V640 PolarHBondContact O-N 2.93Å; E638-V640 VanDerWaalsContact C-N 3.29Å; E638-V640 PolarHBondContact O-N 3.21Å; V640-A643 PolarHBondContact O-N 2.9Å; V640-L644 HydrophobicContact CG1-CD1 3.93Å; V640-L644 HydrophobicContact CG1-CG 4.32Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 VanDerWaalsContact O-CG 3.24Å; V640-L644 WeakPolarHBondContact O-CG 3.16Å; V640-L644 PolarHBondContact O-N 2.95Å
641	D	92	Very high	88.2	Confident	65 Å²	65	41.9 Å²	41.9	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-43.1	176.9	-74.8	-21.7	0	0	0	111.7	K584 E637 E638 L644 R645	K584-D641 WeakPolarHBondContact CE-OD1 3.21Å; K584-D641 IonicContact NZ-OD1 2.76Å; K584-D641 PolarHBondContact NZ-OD1 3.33Å; K584-D641 IonicContact NZ-OD2 3.7Å; K584-D641 PolarHBondContact NZ-OD2 2.78Å; E637-D641 PolarHBondContact O-N 3.43Å; E638-D641 PolarHBondContact O-N 3.26Å; D641-L644 PolarHBondContact O-N 3.43Å; D641-R645 PolarHBondContact O-N 3.39Å
642	E	90.9	Very high	87.1	Confident	43 Å²	43	43.3 Å²	43.3	20%	0.201	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-39.3	175.4	-177.3	63.6	-177.8	0	0	111.7	Y335 K354 L626 E638 L644 R645 L646	Y335-E642 HydrophobicContact CE1-CG 4.1Å; K354-E642 IonicContact NZ-OE1 2.73Å; L626-E642 HydrophobicContact CD1-CB 4.13Å; L626-E642 HydrophobicContact CD1-CG 4.17Å; E638-E642 PolarHBondContact O-N 3.11Å; E638-E642 VanDerWaalsContact O-N 3.08Å; E642-L644 VanDerWaalsContact C-N 3.32Å; E642-L644 PolarHBondContact O-N 3.15Å; E642-R645 WeakPolarHBondContact O-CB 3.44Å; E642-R645 PolarHBondContact O-N 2.68Å; E642-R645 IonicContact OE1-CZ 3.71Å; E642-R645 IonicContact OE1-NE 2.96Å; E642-R645 PolarHBondContact OE1-NE 3.06Å; E642-R645 IonicContact OE1-NH2 3.36Å; E642-R645 PolarHBondContact OE1-NH2 3.41Å; E642-R645 IonicContact OE2-CZ 2.62Å; E642-R645 IonicContact OE2-NE 3.89Å; E642-R645 PolarHBondContact OE2-NE 3.07Å; E642-R645 IonicContact OE2-NH2 2.87Å; E642-L646 WeakPolarHBondContact O-CG 3.43Å; E642-L646 PolarHBondContact O-N 3.38Å
643	A	92.1	Very high	86	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-41.2	173.9	0	0	0	0	0	112	I619 I622 A623 L626 E639 V640 F647	I619-A643 HydrophobicContact CG2-CB 4.25Å; I622-A643 HydrophobicContact CB-CB 4.05Å; I622-A643 HydrophobicContact CG2-CB 3.65Å; A623-A643 HydrophobicContact CB-CB 4.15Å; L626-A643 HydrophobicContact CD1-CB 4.19Å; E639-A643 VanDerWaalsContact O-CB 3.27Å; E639-A643 WeakPolarHBondContact O-CB 3.15Å; E639-A643 PolarHBondContact O-N 3.22Å; V640-A643 PolarHBondContact O-N 2.9Å; A643-F647 VanDerWaalsContact O-CB 3.27Å; A643-F647 WeakPolarHBondContact O-CB 3.28Å; A643-F647 PolarHBondContact O-N 3.2Å
644	L	89.9	Confident	84.6	Confident	7 Å²	7	40 Å²	40	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-40.5	174.7	-74.8	168.5	0	0	0	111.5	R588 M592 I619 V640 D641 E642 F647 Q648	R588-L644 HydrophobicContact CB-CD1 4.05Å; R588-L644 HydrophobicContact CB-CD2 4.45Å; R588-L644 HydrophobicContact CG-CD1 3.87Å; M592-L644 HydrophobicContact CE-CD2 3.74Å; I619-L644 HydrophobicContact CD1-CD2 3.96Å; I619-L644 HydrophobicContact CG2-CD2 4.11Å; I619-L644 HydrophobicContact CG2-CG 4.33Å; V640-L644 HydrophobicContact CG1-CD1 3.93Å; V640-L644 HydrophobicContact CG1-CG 4.32Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 VanDerWaalsContact O-CG 3.24Å; V640-L644 WeakPolarHBondContact O-CG 3.16Å; V640-L644 PolarHBondContact O-N 2.95Å; D641-L644 PolarHBondContact O-N 3.43Å; E642-L644 VanDerWaalsContact C-N 3.32Å; E642-L644 PolarHBondContact O-N 3.15Å; L644-F647 PolarHBondContact O-N 3.11Å; L644-Q648 WeakPolarHBondContact O-CB 3.37Å; L644-Q648 VanDerWaalsContact O-CG 3.23Å; L644-Q648 WeakPolarHBondContact O-CG 3.37Å; L644-Q648 PolarHBondContact O-N 3.45Å
645	R	90.5	Very high	83	Confident	78 Å²	78	37.4 Å²	37.4	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-59.5	-50.3	175.5	-170.5	-170.1	72	78.6	4.2	111	D351 D641 E642 F647 Q648 V649	D351-R645 IonicContact OD1-CZ 3.43Å; D351-R645 VanDerWaalsContact OD1-CZ 3.3Å; D351-R645 IonicContact OD1-NH1 2.75Å; D351-R645 PolarHBondContact OD1-NH1 2.76Å; D351-R645 IonicContact OD1-NH2 3.72Å; D351-R645 PolarHBondContact OD1-NH2 3.06Å; D351-R645 IonicContact OD2-NH1 2.69Å; D641-R645 PolarHBondContact O-N 3.39Å; E642-R645 WeakPolarHBondContact O-CB 3.44Å; E642-R645 PolarHBondContact O-N 2.68Å; E642-R645 IonicContact OE1-CZ 3.71Å; E642-R645 IonicContact OE1-NE 2.96Å; E642-R645 PolarHBondContact OE1-NE 3.06Å; E642-R645 IonicContact OE1-NH2 3.36Å; E642-R645 PolarHBondContact OE1-NH2 3.41Å; E642-R645 IonicContact OE2-CZ 2.62Å; E642-R645 IonicContact OE2-NE 3.89Å; E642-R645 PolarHBondContact OE2-NE 3.07Å; E642-R645 IonicContact OE2-NH2 2.87Å; R645-F647 VanDerWaalsContact C-N 3.3Å; R645-F647 PolarHBondContact O-N 2.91Å; R645-Q648 PolarHBondContact O-N 3.49Å; R645-V649 WeakPolarHBondContact O-CG2 3.15Å; R645-V649 PolarHBondContact O-N 3.22Å; R645-V649 VanDerWaalsContact O-N 3.08Å
646	L	88.9	Confident	81.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-43.6	176.8	-70.9	174.3	0	0	0	111.6	D351 K354 I622 E642 V649 S650	D351-L646 HydrophobicContact CB-CD2 4.38Å; K354-L646 HydrophobicContact CB-CD2 4.19Å; K354-L646 HydrophobicContact CD-CD2 4.46Å; I622-L646 HydrophobicContact CG2-CD1 4.27Å; E642-L646 WeakPolarHBondContact O-CG 3.43Å; E642-L646 PolarHBondContact O-N 3.38Å; L646-V649 PolarHBondContact O-N 2.73Å; L646-S650 WeakPolarHBondContact O-CB 3.49Å; L646-S650 PolarHBondContact O-N 3.4Å; L646-S650 PolarHBondContact O-OG 2.9Å
647	F	86.9	Confident	79.6	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-37	179.2	179.1	-94.7	0	0	0	113.1	M592 Q615 I619 A643 L644 R645 S650 T651	M592-F647 HydrophobicContact CE-CD1 4.25Å; M592-F647 HydrophobicContact SD-CD1 4.31Å; M592-F647 HydrophobicContact SD-CE1 4.05Å; Q615-F647 HydrophobicContact CB-CE2 4.17Å; Q615-F647 HydrophobicContact CB-CZ 3.98Å; Q615-F647 HydrophobicContact CG-CZ 4.42Å; I619-F647 HydrophobicContact CD1-CD1 4Å; I619-F647 HydrophobicContact CD1-CD2 4.3Å; I619-F647 HydrophobicContact CD1-CE1 4.16Å; I619-F647 HydrophobicContact CD1-CE2 4.44Å; I619-F647 HydrophobicContact CD1-CG 4.06Å; I619-F647 HydrophobicContact CD1-CZ 4.37Å; I619-F647 HydrophobicContact CG1-CB 4.21Å; I619-F647 HydrophobicContact CG1-CD1 4.34Å; I619-F647 HydrophobicContact CG1-CD2 3.91Å; I619-F647 HydrophobicContact CG1-CE2 4.35Å; I619-F647 HydrophobicContact CG1-CG 3.88Å; A643-F647 VanDerWaalsContact O-CB 3.27Å; A643-F647 WeakPolarHBondContact O-CB 3.28Å; A643-F647 PolarHBondContact O-N 3.2Å; L644-F647 PolarHBondContact O-N 3.11Å; R645-F647 VanDerWaalsContact C-N 3.3Å; R645-F647 PolarHBondContact O-N 2.91Å; F647-S650 WeakPolarHBondContact CA-OG 3.16Å; F647-S650 PolarHBondContact O-N 3.43Å; F647-S650 PolarHBondContact O-OG 3.09Å; F647-S650 VanDerWaalsContact O-OG 3.06Å; F647-T651 HydrophobicContact CE2-CG2 4.41Å; F647-T651 WeakPolarHBondContact CE2-OG1 3.1Å; F647-T651 HydrophobicContact CZ-CG2 4.13Å; F647-T651 WeakPolarHBondContact O-CB 3.46Å; F647-T651 PolarHBondContact O-N 3.25Å; F647-T651 PolarHBondContact O-OG1 3.2Å
648	Q	83.6	Confident	77.6	Confident	77 Å²	77	36.6 Å²	36.6	36%	0.36	19%	0.192	S	C	.	.	I	π-helix	trans	-65	-47.4	175.2	-74.6	174.3	-1.4	0	0	110.8	M592 L644 R645 S650 L652	M592-Q648 HydrophobicContact CE-CG 3.92Å; L644-Q648 WeakPolarHBondContact O-CB 3.37Å; L644-Q648 VanDerWaalsContact O-CG 3.23Å; L644-Q648 WeakPolarHBondContact O-CG 3.37Å; L644-Q648 PolarHBondContact O-N 3.45Å; R645-Q648 PolarHBondContact O-N 3.49Å; Q648-S650 VanDerWaalsContact C-N 3.28Å; Q648-S650 PolarHBondContact O-N 2.91Å; Q648-L652 HydrophobicContact CB-CD1 3.91Å; Q648-L652 HydrophobicContact CG-CD1 3.71Å; Q648-L652 VanDerWaalsContact O-CB 3.25Å; Q648-L652 WeakPolarHBondContact O-CB 3.43Å; Q648-L652 PolarHBondContact O-N 2.69Å; Q648-L652 VanDerWaalsContact O-N 3.1Å
649	V	82.4	Confident	75.5	Confident	60 Å²	60	32.1 Å²	32.1	36%	0.364	18%	0.176	S	C	.	.	I	π-helix	trans	-61.5	-37.7	177.5	175	0	0	0	0	111.4	R645 L646 D653	R645-V649 WeakPolarHBondContact O-CG2 3.15Å; R645-V649 PolarHBondContact O-N 3.22Å; R645-V649 VanDerWaalsContact O-N 3.08Å; L646-V649 PolarHBondContact O-N 2.73Å; V649-D653 WeakPolarHBondContact O-CB 3.45Å
650	S	75.8	Confident	72.9	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.188	C	C	.	.	I	π-helix	trans	-75.3	-57.2	179.7	68.8	0	0	0	0	112.6	I520 L646 F647 Q648	I520-S650 CarbonylContact O-C 3.59Å; I520-S650 WeakPolarHBondContact O-CA 3.41Å; I520-S650 WeakPolarHBondContact O-CB 3.42Å; L646-S650 WeakPolarHBondContact O-CB 3.49Å; L646-S650 PolarHBondContact O-N 3.4Å; L646-S650 PolarHBondContact O-OG 2.9Å; F647-S650 WeakPolarHBondContact CA-OG 3.16Å; F647-S650 PolarHBondContact O-N 3.43Å; F647-S650 PolarHBondContact O-OG 3.09Å; F647-S650 VanDerWaalsContact O-OG 3.06Å; Q648-S650 VanDerWaalsContact C-N 3.28Å; Q648-S650 PolarHBondContact O-N 2.91Å
651	T	69.9	Low	70.3	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.055	22%	0.215	C	C	.	.	I	π-helix	trans	-93.6	-34.7	-162	-48.9	0	0	0	0	112.3	F647 A654 A655	F647-T651 HydrophobicContact CE2-CG2 4.41Å; F647-T651 WeakPolarHBondContact CE2-OG1 3.1Å; F647-T651 HydrophobicContact CZ-CG2 4.13Å; F647-T651 WeakPolarHBondContact O-CB 3.46Å; F647-T651 PolarHBondContact O-N 3.25Å; F647-T651 PolarHBondContact O-OG1 3.2Å; T651-A654 PolarHBondContact O-N 3.38Å; T651-A655 WeakPolarHBondContact O-CB 3.45Å; T651-A655 PolarHBondContact O-N 2.98Å
652	L	66.4	Low	67.6	Low	65 Å²	65	36.4 Å²	36.4	34%	0.34	21%	0.213	S	C	.	.	I	π-helix	trans	-73.2	-39.1	178.6	-62.2	176.5	0	0	0	111	Q648 A654 A655 L656	Q648-L652 HydrophobicContact CB-CD1 3.91Å; Q648-L652 HydrophobicContact CG-CD1 3.71Å; Q648-L652 VanDerWaalsContact O-CB 3.25Å; Q648-L652 WeakPolarHBondContact O-CB 3.43Å; Q648-L652 PolarHBondContact O-N 2.69Å; Q648-L652 VanDerWaalsContact O-N 3.1Å; L652-A654 PolarHBondContact O-N 3.23Å; L652-A655 PolarHBondContact O-N 3Å; L652-L656 HydrophobicContact CB-CD1 4.36Å; L652-L656 WeakPolarHBondContact O-CB 3.29Å; L652-L656 WeakPolarHBondContact O-CG 3.3Å; L652-L656 PolarHBondContact O-N 2.7Å
653	D	65.1	Low	65	Low	76 Å²	76	39.5 Å²	39.5	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-36.9	174.4	-166.6	31.4	0	0	0	111.1	V649 S657	V649-D653 WeakPolarHBondContact O-CB 3.45Å; D653-S657 WeakPolarHBondContact O-CB 3.31Å; D653-S657 PolarHBondContact O-N 3.01Å; D653-S657 PolarHBondContact O-OG 2.79Å
654	A	59.9	Low	62.6	Low	8 Å²	8	44 Å²	44	7%	0.066	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-41.7	173.2	0	0	0	0	0	113.9	I522 I609 T651 L652 S657 G658	I522-A654 HydrophobicContact CD1-CB 3.71Å; I522-A654 HydrophobicContact CG1-CB 4.37Å; I609-A654 HydrophobicContact CD1-CB 4.26Å; T651-A654 PolarHBondContact O-N 3.38Å; L652-A654 PolarHBondContact O-N 3.23Å; A654-S657 WeakPolarHBondContact CA-OG 3.35Å; A654-S657 PolarHBondContact O-OG 2.9Å; A654-S657 VanDerWaalsContact O-OG 3.12Å; A654-G658 PolarHBondContact O-N 3.26Å
655	A	59.3	Low	60.1	Low	26 Å²	26	46.4 Å²	46.4	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-70.8	-38.7	179.2	0	0	0	0	0	112.2	T651 L652	T651-A655 WeakPolarHBondContact O-CB 3.45Å; T651-A655 PolarHBondContact O-N 2.98Å; L652-A655 PolarHBondContact O-N 3Å
656	L	58	Low	57.5	Low	64 Å²	64	51.6 Å²	51.6	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-75.9	-38.1	179.9	-69.3	172.1	0	0	0	111.6	L652 G658 S659 L660	L652-L656 HydrophobicContact CB-CD1 4.36Å; L652-L656 WeakPolarHBondContact O-CB 3.29Å; L652-L656 WeakPolarHBondContact O-CG 3.3Å; L652-L656 PolarHBondContact O-N 2.7Å; L656-G658 PolarHBondContact O-N 3.35Å; L656-S659 CarbonylContact O-C 3.6Å; L656-S659 PolarHBondContact O-N 3.39Å; L656-L660 HydrophobicContact CB-CD1 3.69Å; L656-L660 HydrophobicContact CB-CG 4.31Å; L656-L660 HydrophobicContact CD2-CD1 4.17Å; L656-L660 HydrophobicContact CD2-CG 4.47Å; L656-L660 HydrophobicContact CG-CD1 4.4Å; L656-L660 WeakPolarHBondContact O-CB 3.09Å; L656-L660 VanDerWaalsContact O-CG 3.3Å; L656-L660 WeakPolarHBondContact O-CG 3.44Å; L656-L660 PolarHBondContact O-N 3.04Å; L656-L660 VanDerWaalsContact O-N 3.09Å
657	S	54.9	Low	55.3	Low	12 Å²	12	53.4 Å²	53.4	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-23.2	173.7	56.6	0	0	0	0	113.8	D653 A654	D653-S657 WeakPolarHBondContact O-CB 3.31Å; D653-S657 PolarHBondContact O-N 3.01Å; D653-S657 PolarHBondContact O-OG 2.79Å; A654-S657 WeakPolarHBondContact CA-OG 3.35Å; A654-S657 PolarHBondContact O-OG 2.9Å; A654-S657 VanDerWaalsContact O-OG 3.12Å
658	G	49.3	Very low	53.7	Low	15 Å²	15	55.7 Å²	55.7	16%	0.155	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.7	171.8	0	0	0	0	0	114.4	A654 L656	A654-G658 PolarHBondContact O-N 3.26Å; L656-G658 PolarHBondContact O-N 3.35Å
659	S	45.1	Very low	52.3	Low	53 Å²	53	60 Å²	60	37%	0.371	36%	0.355	S	S	.	.	S	Bend	trans	-148.1	67.7	-179.4	-97.3	0	0	0	0	111.2	L656	L656-S659 CarbonylContact O-C 3.6Å; L656-S659 PolarHBondContact O-N 3.39Å
660	L	36.9	Very low	51.3	Low	53 Å²	53	64.1 Å²	64.1	28%	0.277	37%	0.37	S	S	.	.			trans	-139.1	109	163.2	-79.5	177	0	0	0	111.5	L656 G662 E664	L656-L660 HydrophobicContact CB-CD1 3.69Å; L656-L660 HydrophobicContact CB-CG 4.31Å; L656-L660 HydrophobicContact CD2-CD1 4.17Å; L656-L660 HydrophobicContact CD2-CG 4.47Å; L656-L660 HydrophobicContact CG-CD1 4.4Å; L656-L660 WeakPolarHBondContact O-CB 3.09Å; L656-L660 VanDerWaalsContact O-CG 3.3Å; L656-L660 WeakPolarHBondContact O-CG 3.44Å; L656-L660 PolarHBondContact O-N 3.04Å; L656-L660 VanDerWaalsContact O-N 3.09Å; L660-G662 PolarHBondContact O-N 3.5Å; L660-E664 HydrophobicContact CD1-CB 4.15Å; L660-E664 HydrophobicContact CD1-CG 4.22Å; L660-E664 VanDerWaalsContact CD1-OE2 3.29Å; L660-E664 WeakPolarHBondContact CD1-OE2 3.31Å
661	S	38.6	Very low	50.6	Low	82 Å²	82	67 Å²	67	57%	0.573	39%	0.386	S	S	*	.	S	Bend	trans	-55.3	93	146.5	53.2	0	0	0	0	109.7
662	G	35.1	Very low	50.2	Low	29 Å²	29	70 Å²	70	30%	0.299	40%	0.399	S	S	.	.	S	Bend	trans	115.5	136.4	165.2	0	0	0	0	0	114.1	L660 E664	L660-G662 PolarHBondContact O-N 3.5Å; G662-E664 PolarHBondContact O-N 2.91Å
663	V	36.8	Very low	50.5	Low	108 Å²	108	71.8 Å²	71.8	66%	0.655	41%	0.405	S	S	*	.			trans	-56.6	99.2	170.5	178.2	0	0	0	0	109.6
664	E	41.5	Very low	50.9	Low	95 Å²	95	70.9 Å²	70.9	44%	0.444	40%	0.399	S	S	.	.			trans	-101.9	18.8	175.5	-71	-171.2	168.1	0	0	112.9	L660 G662	L660-E664 HydrophobicContact CD1-CB 4.15Å; L660-E664 HydrophobicContact CD1-CG 4.22Å; L660-E664 VanDerWaalsContact CD1-OE2 3.29Å; L660-E664 WeakPolarHBondContact CD1-OE2 3.31Å; G662-E664 PolarHBondContact O-N 2.91Å
665	G	37.5	Very low	51.6	Low	58 Å²	58	72 Å²	72	60%	0.598	40%	0.404	S	S	*	.	S	Bend	trans	-79.1	-18.9	-176.8	0	0	0	0	0	116.1
666	F	35.1	Very low	52.4	Low	187 Å²	187	72.9 Å²	72.9	82%	0.82	41%	0.409	S	S	*	.	S	Bend	trans	-154.9	55.8	-175.1	-83.2	-79.5	0	0	0	112.5
667	T	43.8	Very low	53.5	Low	37 Å²	37	76 Å²	76	23%	0.227	42%	0.416	C	S	.	.			trans	-132.7	125.3	168.5	41.8	0	0	0	0	108	D671	T667-D671 HydrophobicContact CG2-CB 3.93Å
668	S	53.1	Low	54.7	Low	54 Å²	54	75.4 Å²	75.4	38%	0.378	41%	0.412	S	S	.	.			trans	-53	155.5	172.7	60.8	0	0	0	0	110.3	E670 D671 Q672	S668-E670 PolarHBondContact O-N 2.85Å; S668-D671 PolarHBondContact N-OD2 3.16Å; S668-D671 WeakPolarHBondContact O-CB 3.5Å; S668-D671 PolarHBondContact O-N 3.29Å; S668-D671 PolarHBondContact OG-N 2.91Å; S668-D671 PolarHBondContact OG-OD2 3.25Å; S668-Q672 PolarHBondContact O-N 3.47Å
669	Q	54.5	Low	56.1	Low	167 Å²	167	76.5 Å²	76.5	78%	0.78	41%	0.413	S	S	*	.	H	α-helix	trans	-51.4	-30.9	171.9	-87.5	-179.4	-22.7	0	0	111.6	Q672 E673	Q669-Q672 PolarHBondContact O-N 3.43Å; Q669-E673 PolarHBondContact O-N 2.91Å
670	E	60.1	Low	57.9	Low	148 Å²	148	80.2 Å²	80.2	69%	0.692	42%	0.423	S	S	*	.	H	α-helix	trans	-64.4	-41.9	175.9	-55.9	-177.5	167.6	0	0	112.4	S668 E673 M674	S668-E670 PolarHBondContact O-N 2.85Å; E670-E673 PolarHBondContact O-N 3.3Å; E670-M674 WeakPolarHBondContact O-CB 3.26Å; E670-M674 WeakPolarHBondContact O-CG 3.43Å; E670-M674 PolarHBondContact O-N 3.31Å
671	D	61.5	Low	60	Low	61 Å²	61	80.7 Å²	80.7	33%	0.326	42%	0.424	S	S	.	.	H	α-helix	trans	-68.9	-34.8	177.7	-69.3	-44.9	0	0	0	112.5	T667 S668 M674 L675	T667-D671 HydrophobicContact CG2-CB 3.93Å; S668-D671 PolarHBondContact N-OD2 3.16Å; S668-D671 WeakPolarHBondContact O-CB 3.5Å; S668-D671 PolarHBondContact O-N 3.29Å; S668-D671 PolarHBondContact OG-N 2.91Å; S668-D671 PolarHBondContact OG-OD2 3.25Å; D671-M674 PolarHBondContact O-N 2.97Å; D671-L675 WeakPolarHBondContact O-CB 2.9Å; D671-L675 VanDerWaalsContact O-CG 3.31Å; D671-L675 WeakPolarHBondContact O-CG 3.41Å; D671-L675 PolarHBondContact O-N 3.46Å
672	Q	61.6	Low	62	Low	72 Å²	72	76.8 Å²	76.8	34%	0.336	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-43.8	173.9	-74	-176.2	-22.3	0	0	111.4	S668 Q669 M674 L675 S676	S668-Q672 PolarHBondContact O-N 3.47Å; Q669-Q672 PolarHBondContact O-N 3.43Å; Q672-M674 VanDerWaalsContact C-N 3.3Å; Q672-M674 PolarHBondContact O-N 3.36Å; Q672-L675 PolarHBondContact O-N 3.45Å; Q672-S676 PolarHBondContact O-N 3.06Å
673	E	73.5	Confident	64.1	Low	102 Å²	102	78.5 Å²	78.5	48%	0.477	40%	0.396	S	S	.	.	H	α-helix	trans	-60.2	-43.1	172.7	-77.7	-165.1	-172	0	0	111.2	Q669 E670 S676 R677	Q669-E673 PolarHBondContact O-N 2.91Å; E670-E673 PolarHBondContact O-N 3.3Å; E673-S676 PolarHBondContact O-N 3.34Å; E673-S676 PolarHBondContact O-OG 2.95Å; E673-R677 WeakPolarHBondContact O-CB 3.33Å; E673-R677 WeakPolarHBondContact O-CG 3.44Å; E673-R677 PolarHBondContact O-N 2.95Å; E673-R677 IonicContact OE2-CZ 3.58Å; E673-R677 IonicContact OE2-NH2 2.93Å; E673-R677 PolarHBondContact OE2-NH2 3.3Å
674	M	73.1	Confident	66.1	Low	57 Å²	57	83.7 Å²	83.7	28%	0.281	40%	0.403	S	S	.	.	H	α-helix	trans	-60.2	-46.9	176.5	-71.2	-116.8	-77.4	0	0	112.2	E670 D671 Q672 S676 R677 V678 Y706 P707	E670-M674 WeakPolarHBondContact O-CB 3.26Å; E670-M674 WeakPolarHBondContact O-CG 3.43Å; E670-M674 PolarHBondContact O-N 3.31Å; D671-M674 PolarHBondContact O-N 2.97Å; Q672-M674 VanDerWaalsContact C-N 3.3Å; Q672-M674 PolarHBondContact O-N 3.36Å; M674-S676 PolarHBondContact O-N 2.94Å; M674-R677 PolarHBondContact O-N 2.64Å; M674-V678 WeakPolarHBondContact O-CG2 3.22Å; M674-V678 PolarHBondContact O-N 3.32Å; M674-Y706 HydrophobicContact SD-CD1 4.27Å; M674-Y706 HydrophobicContact SD-CE1 4.17Å; M674-P707 HydrophobicContact CE-CG 4.47Å
675	L	74.9	Confident	67.6	Low	31 Å²	31	86.8 Å²	86.8	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-59.4	-45	175.7	-75	166.8	0	0	0	111.6	D671 Q672 R677 V678 E679 T710 V714	D671-L675 WeakPolarHBondContact O-CB 2.9Å; D671-L675 VanDerWaalsContact O-CG 3.31Å; D671-L675 WeakPolarHBondContact O-CG 3.41Å; D671-L675 PolarHBondContact O-N 3.46Å; Q672-L675 PolarHBondContact O-N 3.45Å; L675-R677 VanDerWaalsContact C-N 3.32Å; L675-R677 PolarHBondContact O-N 3.33Å; L675-V678 PolarHBondContact O-N 3.07Å; L675-E679 WeakPolarHBondContact O-CB 3.3Å; L675-E679 PolarHBondContact O-N 3.01Å; L675-T710 HydrophobicContact CD2-CG2 3.48Å; L675-T710 VanDerWaalsContact CD2-CG2 3.48Å; L675-T710 HydrophobicContact CG-CG2 4.02Å; L675-V714 HydrophobicContact CD2-CG2 3.48Å; L675-V714 VanDerWaalsContact CD2-CG2 3.48Å
676	S	76.1	Confident	69.4	Low	46 Å²	46	85.3 Å²	85.3	32%	0.322	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-35.3	178.6	84	0	0	0	0	112.5	Q672 E673 M674 K680	Q672-S676 PolarHBondContact O-N 3.06Å; E673-S676 PolarHBondContact O-N 3.34Å; E673-S676 PolarHBondContact O-OG 2.95Å; M674-S676 PolarHBondContact O-N 2.94Å; S676-K680 WeakPolarHBondContact O-CB 3.42Å; S676-K680 VanDerWaalsContact O-CG 3.3Å; S676-K680 WeakPolarHBondContact O-CG 3.33Å; S676-K680 PolarHBondContact O-N 3.43Å
677	R	79.6	Confident	71.3	Confident	129 Å²	129	79.7 Å²	79.7	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-46.1	176.7	-74.4	172.9	-165	-169.5	8.4	110.5	E673 M674 L675 K680 Q681	E673-R677 WeakPolarHBondContact O-CB 3.33Å; E673-R677 WeakPolarHBondContact O-CG 3.44Å; E673-R677 PolarHBondContact O-N 2.95Å; E673-R677 IonicContact OE2-CZ 3.58Å; E673-R677 IonicContact OE2-NH2 2.93Å; E673-R677 PolarHBondContact OE2-NH2 3.3Å; M674-R677 PolarHBondContact O-N 2.64Å; L675-R677 VanDerWaalsContact C-N 3.32Å; L675-R677 PolarHBondContact O-N 3.33Å; R677-K680 PolarHBondContact O-N 3.24Å; R677-Q681 WeakPolarHBondContact O-CB 3.35Å; R677-Q681 VanDerWaalsContact O-CG 3.31Å; R677-Q681 WeakPolarHBondContact O-CG 3.36Å; R677-Q681 PolarHBondContact O-N 3.4Å
678	V	80.4	Confident	73	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-62.6	-44	176.3	174.5	0	0	0	0	110.6	M674 L675 Q681 L682 Y706 V714	M674-V678 WeakPolarHBondContact O-CG2 3.22Å; M674-V678 PolarHBondContact O-N 3.32Å; L675-V678 PolarHBondContact O-N 3.07Å; V678-Q681 PolarHBondContact O-N 2.97Å; V678-L682 HydrophobicContact CG1-CD1 3.89Å; V678-L682 WeakPolarHBondContact O-CB 3.3Å; V678-L682 PolarHBondContact O-N 2.8Å; V678-Y706 HydrophobicContact CG2-CD1 3.73Å; V678-Y706 HydrophobicContact CG2-CD2 4.33Å; V678-Y706 HydrophobicContact CG2-CE1 3.85Å; V678-Y706 HydrophobicContact CG2-CE2 4.42Å; V678-Y706 HydrophobicContact CG2-CG 3.98Å; V678-V714 HydrophobicContact CB-CG2 4.29Å; V678-V714 HydrophobicContact CG1-CB 4.27Å; V678-V714 HydrophobicContact CG1-CG1 4.32Å; V678-V714 HydrophobicContact CG1-CG2 4.05Å
679	E	80.1	Confident	74.1	Confident	38 Å²	38	82.5 Å²	82.5	18%	0.178	39%	0.393	C	S	.	.	H	α-helix	trans	-62	-45.9	177.1	-169.6	-175.7	163	0	0	111.9	L675 Q681 L682 K683 V714 M718 R721	L675-E679 WeakPolarHBondContact O-CB 3.3Å; L675-E679 PolarHBondContact O-N 3.01Å; E679-Q681 VanDerWaalsContact C-N 3.32Å; E679-Q681 PolarHBondContact O-N 3.46Å; E679-L682 PolarHBondContact O-N 2.88Å; E679-K683 HydrophobicContact CG-CD 4.22Å; E679-K683 WeakPolarHBondContact O-CB 3.46Å; E679-K683 WeakPolarHBondContact O-CG 3.31Å; E679-K683 PolarHBondContact O-N 3.37Å; E679-K683 WeakPolarHBondContact OE1-CE 3.38Å; E679-K683 IonicContact OE1-NZ 3.83Å; E679-K683 PolarHBondContact OE1-NZ 3.5Å; E679-V714 HydrophobicContact CB-CG1 3.99Å; E679-V714 HydrophobicContact CG-CG1 4.31Å; E679-M718 HydrophobicContact CG-SD 4.48Å; E679-R721 IonicContact OE1-NH1 3.32Å; E679-R721 PolarHBondContact OE1-NH1 3.25Å; E679-R721 IonicContact OE2-NH1 2.86Å; E679-R721 PolarHBondContact OE2-NH1 2.93Å
680	K	82.2	Confident	75.4	Confident	130 Å²	130	76.2 Å²	76.2	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-62.6	-38.1	175.7	-76.6	172.1	-177.1	169	0	112	S676 R677 K683 R684	S676-K680 WeakPolarHBondContact O-CB 3.42Å; S676-K680 VanDerWaalsContact O-CG 3.3Å; S676-K680 WeakPolarHBondContact O-CG 3.33Å; S676-K680 PolarHBondContact O-N 3.43Å; R677-K680 PolarHBondContact O-N 3.24Å; K680-K683 PolarHBondContact O-N 3.21Å; K680-R684 WeakPolarHBondContact O-CB 3.5Å; K680-R684 VanDerWaalsContact O-CG 3.28Å; K680-R684 WeakPolarHBondContact O-CG 3.49Å; K680-R684 PolarHBondContact O-N 3.5Å
681	Q	80.4	Confident	76.4	Confident	64 Å²	64	74.5 Å²	74.5	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-69.3	-42	177.3	-76.6	-175.3	-13.1	0	0	112.1	R677 V678 E679 R684 R685 F701	R677-Q681 WeakPolarHBondContact O-CB 3.35Å; R677-Q681 VanDerWaalsContact O-CG 3.31Å; R677-Q681 WeakPolarHBondContact O-CG 3.36Å; R677-Q681 PolarHBondContact O-N 3.4Å; V678-Q681 PolarHBondContact O-N 2.97Å; E679-Q681 VanDerWaalsContact C-N 3.32Å; E679-Q681 PolarHBondContact O-N 3.46Å; Q681-R684 PolarHBondContact O-N 3.17Å; Q681-R685 WeakPolarHBondContact O-CB 3.41Å; Q681-R685 WeakPolarHBondContact O-CG 3.46Å; Q681-R685 PolarHBondContact O-N 2.73Å; Q681-F701 HydrophobicContact CB-CE1 4.1Å; Q681-F701 HydrophobicContact CB-CZ 4.4Å
682	L	80.3	Confident	77.3	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.6	-50.5	170.3	-110.3	120.4	0	0	0	110.2	V678 E679 R684 R685 F686 F701 V714 L715 M718	V678-L682 HydrophobicContact CG1-CD1 3.89Å; V678-L682 WeakPolarHBondContact O-CB 3.3Å; V678-L682 PolarHBondContact O-N 2.8Å; E679-L682 PolarHBondContact O-N 2.88Å; L682-R684 VanDerWaalsContact C-N 3.3Å; L682-R684 PolarHBondContact O-N 3.46Å; L682-R685 PolarHBondContact O-N 3.25Å; L682-F686 HydrophobicContact CB-CD2 4.3Å; L682-F686 HydrophobicContact CB-CE2 4.4Å; L682-F686 HydrophobicContact CD2-CD2 3.71Å; L682-F686 HydrophobicContact CD2-CE2 3.53Å; L682-F686 HydrophobicContact CG-CD2 4.06Å; L682-F686 HydrophobicContact CG-CE2 3.73Å; L682-F686 WeakPolarHBondContact O-CD2 3.38Å; L682-F686 PolarHBondContact O-N 3.07Å; L682-F701 HydrophobicContact CD1-CE2 3.94Å; L682-F701 HydrophobicContact CD1-CZ 4.05Å; L682-F701 HydrophobicContact CG-CE2 4.18Å; L682-F701 HydrophobicContact CG-CZ 4.22Å; L682-V714 HydrophobicContact CD1-CG1 4.2Å; L682-L715 HydrophobicContact CD2-CD2 3.75Å; L682-M718 HydrophobicContact CB-SD 4.11Å; L682-M718 HydrophobicContact CD2-SD 3.83Å; L682-M718 HydrophobicContact CG-SD 4.48Å
683	K	80.4	Confident	78.3	Confident	65 Å²	65	72.4 Å²	72.4	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-31	-178.3	-76.2	-179.9	172.2	177	0	114	E679 K680 M718 E723 R735	E679-K683 HydrophobicContact CG-CD 4.22Å; E679-K683 WeakPolarHBondContact O-CB 3.46Å; E679-K683 WeakPolarHBondContact O-CG 3.31Å; E679-K683 PolarHBondContact O-N 3.37Å; E679-K683 WeakPolarHBondContact OE1-CE 3.38Å; E679-K683 IonicContact OE1-NZ 3.83Å; E679-K683 PolarHBondContact OE1-NZ 3.5Å; K680-K683 PolarHBondContact O-N 3.21Å; K683-M718 HydrophobicContact CG-CE 3.89Å; K683-E723 WeakPolarHBondContact CE-OE1 3.47Å; K683-E723 WeakPolarHBondContact CE-OE2 3.43Å; K683-E723 IonicContact NZ-OE1 3.63Å; K683-E723 PolarHBondContact NZ-OE1 3.01Å; K683-E723 IonicContact NZ-OE2 3.82Å; K683-E723 PolarHBondContact NZ-OE2 2.91Å; K683-R735 VanDerWaalsContact CA-NH1 3.3Å; K683-R735 PolarHBondContact O-NH1 3.45Å
684	R	79.3	Confident	78.6	Confident	217 Å²	217	69.4 Å²	69.4	82%	0.819	34%	0.341	S	S	*	.	H	α-helix	trans	-77.3	-34.1	175.4	-76.1	176.5	-178	-176.4	0.8	113	K680 Q681 L682	K680-R684 WeakPolarHBondContact O-CB 3.5Å; K680-R684 VanDerWaalsContact O-CG 3.28Å; K680-R684 WeakPolarHBondContact O-CG 3.49Å; K680-R684 PolarHBondContact O-N 3.5Å; Q681-R684 PolarHBondContact O-N 3.17Å; L682-R684 VanDerWaalsContact C-N 3.3Å; L682-R684 PolarHBondContact O-N 3.46Å
685	R	72	Confident	79	Confident	160 Å²	160	73.1 Å²	73.1	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-82.4	-35.8	-176.9	-75	-171.2	-179	-132	5.4	113.4	Q681 L682	Q681-R685 WeakPolarHBondContact O-CB 3.41Å; Q681-R685 WeakPolarHBondContact O-CG 3.46Å; Q681-R685 PolarHBondContact O-N 2.73Å; L682-R685 PolarHBondContact O-N 3.25Å
686	F	75.6	Confident	79.3	Confident	27 Å²	27	74 Å²	74	12%	0.118	37%	0.366	C	S	.	.	S	Bend	trans	-91.4	109.5	-179.6	-63.5	-67.1	0	0	0	110.7	L682 V692 I697 R735	L682-F686 HydrophobicContact CB-CD2 4.3Å; L682-F686 HydrophobicContact CB-CE2 4.4Å; L682-F686 HydrophobicContact CD2-CD2 3.71Å; L682-F686 HydrophobicContact CD2-CE2 3.53Å; L682-F686 HydrophobicContact CG-CD2 4.06Å; L682-F686 HydrophobicContact CG-CE2 3.73Å; L682-F686 WeakPolarHBondContact O-CD2 3.38Å; L682-F686 PolarHBondContact O-N 3.07Å; F686-V692 HydrophobicContact CD1-CB 4.43Å; F686-V692 HydrophobicContact CD1-CG2 4Å; F686-V692 HydrophobicContact CE1-CB 3.73Å; F686-V692 HydrophobicContact CE1-CG1 4.06Å; F686-V692 HydrophobicContact CE1-CG2 3.57Å; F686-I697 HydrophobicContact CE1-CD1 4.17Å; F686-I697 HydrophobicContact CE1-CG1 4.41Å; F686-I697 HydrophobicContact CE2-CD1 4.13Å; F686-I697 HydrophobicContact CE2-CG1 4.49Å; F686-I697 HydrophobicContact CZ-CD1 3.6Å; F686-I697 HydrophobicContact CZ-CG1 3.72Å; F686-R735 WeakPolarHBondContact O-CD 3.44Å; F686-R735 PolarHBondContact O-NH1 3.27Å
687	A	75.1	Confident	79.5	Confident	68 Å²	68	72.1 Å²	72.1	56%	0.562	35%	0.352	S	S	*	.			trans	-68.2	149.5	167	0	0	0	0	0	110.2	G689 S690	A687-G689 PolarHBondContact O-N 3.47Å; A687-S690 WeakPolarHBondContact O-CB 3.5Å; A687-S690 PolarHBondContact O-N 3.06Å; A687-S690 VanDerWaalsContact O-N 3.12Å; A687-S690 PolarHBondContact O-OG 3.05Å
688	I	79.9	Confident	79.7	Confident	115 Å²	115	66.3 Å²	66.3	59%	0.59	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	127	173.3	-58	170.9	0	0	0	107.8	K737	I688-K737 VanDerWaalsContact CD1-OXT 3.29Å; I688-K737 WeakPolarHBondContact CD1-OXT 3.33Å
689	G	76	Confident	79.7	Confident	36 Å²	36	71.7 Å²	71.7	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	0.5	-176.5	0	0	0	0	0	116.4	A687 Y734 R735	A687-G689 PolarHBondContact O-N 3.47Å; G689-Y734 WeakPolarHBondContact O-CE2 3.38Å; G689-R735 PolarHBondContact N-O 3.25Å
690	S	81.3	Confident	79.8	Confident	34 Å²	34	73.2 Å²	73.2	24%	0.238	37%	0.366	C	S	.	.			trans	-82.7	148.6	175.1	60.1	0	0	0	0	112.9	A687 R735	A687-S690 WeakPolarHBondContact O-CB 3.5Å; A687-S690 PolarHBondContact O-N 3.06Å; A687-S690 VanDerWaalsContact O-N 3.12Å; A687-S690 PolarHBondContact O-OG 3.05Å; S690-R735 PolarHBondContact O-N 3.25Å
691	Q	81.3	Confident	79.6	Confident	113 Å²	113	67.2 Å²	67.2	53%	0.528	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122	177.6	-69.7	179.7	35.5	0	0	109.4	V732 L733 Y734	Q691-V732 HydrophobicContact CB-CG1 3.9Å; Q691-L733 WeakPolarHBondContact CA-O 3.5Å; Q691-Y734 HydrophobicContact CG-CD2 3.47Å; Q691-Y734 VanDerWaalsContact CG-CD2 3.47Å; Q691-Y734 HydrophobicContact CG-CE2 4.18Å; Q691-Y734 HydrophobicContact CG-CG 4.41Å
692	V	80.4	Confident	79.7	Confident	46 Å²	46	66.9 Å²	66.9	28%	0.279	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.5	177.4	-177.7	0	0	0	0	110.5	F686 I697 L733	F686-V692 HydrophobicContact CD1-CB 4.43Å; F686-V692 HydrophobicContact CD1-CG2 4Å; F686-V692 HydrophobicContact CE1-CB 3.73Å; F686-V692 HydrophobicContact CE1-CG1 4.06Å; F686-V692 HydrophobicContact CE1-CG2 3.57Å; V692-I697 HydrophobicContact CB-CD1 4.47Å; V692-I697 HydrophobicContact CG1-CD1 4.29Å; V692-I697 HydrophobicContact CG1-CG1 3.9Å; V692-L733 PolarHBondContact N-O 2.84Å; V692-L733 PolarHBondContact O-N 3.48Å
693	S	81.6	Confident	79.8	Confident	43 Å²	43	74.2 Å²	74.2	30%	0.301	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.8	177.3	54	0	0	0	0	111.3	H695 S696 I697 K731	S693-H695 VanDerWaalsContact C-N 3.29Å; S693-H695 PolarHBondContact O-N 3.36Å; S693-S696 PolarHBondContact O-N 3.43Å; S693-S696 VanDerWaalsContact OG-CB 3.24Å; S693-S696 WeakPolarHBondContact OG-CB 3.19Å; S693-S696 PolarHBondContact OG-OG 3.15Å; S693-I697 WeakPolarHBondContact O-CG1 3.41Å; S693-I697 PolarHBondContact O-N 3.41Å; S693-K731 WeakPolarHBondContact CA-O 3.32Å
694	E	81.6	Confident	79.7	Confident	39 Å²	39	74.3 Å²	74.3	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-39.3	179.6	-173.2	173.2	175.1	0	0	112.1	S696 I697 V698 Y712 L715 H726 K731 L733	E694-S696 PolarHBondContact O-N 2.92Å; E694-I697 WeakPolarHBondContact O-CB 3.28Å; E694-I697 PolarHBondContact O-N 3.33Å; E694-V698 WeakPolarHBondContact O-CG2 3.38Å; E694-V698 PolarHBondContact O-N 3.08Å; E694-Y712 WeakPolarHBondContact OE1-CE1 3.36Å; E694-L715 HydrophobicContact CG-CD1 4.22Å; E694-H726 IonicContact OE2-CE1 2.71Å; E694-K731 PolarHBondContact N-O 3.03Å; E694-L733 HydrophobicContact CB-CD1 4.09Å; E694-L733 HydrophobicContact CB-CG 4.49Å; E694-L733 HydrophobicContact CG-CD1 4.17Å
695	H	80.8	Confident	79.7	Confident	134 Å²	134	73.3 Å²	73.3	62%	0.62	38%	0.377	S	S	*	.	H	α-helix	trans	-62.4	-38.4	176.7	-96.7	-179.8	0	0	0	113.9	S693 I697 V698 Q699	S693-H695 VanDerWaalsContact C-N 3.29Å; S693-H695 PolarHBondContact O-N 3.36Å; H695-I697 VanDerWaalsContact C-N 3.31Å; H695-V698 PolarHBondContact O-N 2.82Å; H695-Q699 WeakPolarHBondContact O-CB 3.43Å; H695-Q699 VanDerWaalsContact O-CG 3.32Å; H695-Q699 WeakPolarHBondContact O-CG 3.4Å; H695-Q699 PolarHBondContact O-N 2.82Å
696	S	81.2	Confident	80.1	Confident	49 Å²	49	67.7 Å²	67.7	34%	0.343	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-35	178.6	-66.2	0	0	0	0	111.1	S693 E694 D700	S693-S696 PolarHBondContact O-N 3.43Å; S693-S696 VanDerWaalsContact OG-CB 3.24Å; S693-S696 WeakPolarHBondContact OG-CB 3.19Å; S693-S696 PolarHBondContact OG-OG 3.15Å; E694-S696 PolarHBondContact O-N 2.92Å; S696-D700 WeakPolarHBondContact O-CB 3.45Å; S696-D700 VanDerWaalsContact O-CG 3.27Å; S696-D700 PolarHBondContact O-N 3.41Å
697	I	80.4	Confident	80.3	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.036	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-53.2	174.4	-61.3	178.9	0	0	0	109.9	F686 V692 S693 E694 H695 Q699 D700 F701 I711 L715 L733	F686-I697 HydrophobicContact CE1-CD1 4.17Å; F686-I697 HydrophobicContact CE1-CG1 4.41Å; F686-I697 HydrophobicContact CE2-CD1 4.13Å; F686-I697 HydrophobicContact CE2-CG1 4.49Å; F686-I697 HydrophobicContact CZ-CD1 3.6Å; F686-I697 HydrophobicContact CZ-CG1 3.72Å; V692-I697 HydrophobicContact CB-CD1 4.47Å; V692-I697 HydrophobicContact CG1-CD1 4.29Å; V692-I697 HydrophobicContact CG1-CG1 3.9Å; S693-I697 WeakPolarHBondContact O-CG1 3.41Å; S693-I697 PolarHBondContact O-N 3.41Å; E694-I697 WeakPolarHBondContact O-CB 3.28Å; E694-I697 PolarHBondContact O-N 3.33Å; H695-I697 VanDerWaalsContact C-N 3.31Å; I697-Q699 PolarHBondContact O-N 2.9Å; I697-D700 PolarHBondContact O-N 3.42Å; I697-F701 HydrophobicContact CG2-CD2 3.7Å; I697-F701 HydrophobicContact CG2-CE2 3.83Å; I697-F701 VanDerWaalsContact O-CD2 3.23Å; I697-F701 WeakPolarHBondContact O-CD2 3.38Å; I697-F701 PolarHBondContact O-N 2.95Å; I697-F701 VanDerWaalsContact O-N 3.07Å; I697-I711 HydrophobicContact CG2-CG2 4.39Å; I697-L715 HydrophobicContact CD1-CD2 4.42Å; I697-L715 HydrophobicContact CG2-CD1 4.21Å; I697-L715 HydrophobicContact CG2-CD2 4.48Å; I697-L733 HydrophobicContact CD1-CD1 3.98Å
698	V	82.8	Confident	80.4	Confident	7 Å²	7	71.1 Å²	71.1	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-49.5	-179	177.3	0	0	0	0	110.1	E694 H695 D700 F701 T702 E708 I711 Y712	E694-V698 WeakPolarHBondContact O-CG2 3.38Å; E694-V698 PolarHBondContact O-N 3.08Å; H695-V698 PolarHBondContact O-N 2.82Å; V698-D700 VanDerWaalsContact C-N 3.33Å; V698-D700 PolarHBondContact O-N 3.41Å; V698-F701 PolarHBondContact O-N 3.3Å; V698-T702 WeakPolarHBondContact O-CB 3.29Å; V698-T702 PolarHBondContact O-N 3.45Å; V698-T702 PolarHBondContact O-OG1 2.84Å; V698-E708 HydrophobicContact CG1-CG 4.19Å; V698-I711 HydrophobicContact CG2-CG2 4.32Å; V698-Y712 HydrophobicContact CG1-CE2 4.22Å; V698-Y712 HydrophobicContact CG2-CE1 4.02Å; V698-Y712 HydrophobicContact CG2-CE2 4.08Å
699	Q	81.8	Confident	80.3	Confident	114 Å²	114	72.2 Å²	72.2	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-39	179.3	-74.1	-179.3	-3.7	0	0	113.8	H695 I697 K703	H695-Q699 WeakPolarHBondContact O-CB 3.43Å; H695-Q699 VanDerWaalsContact O-CG 3.32Å; H695-Q699 WeakPolarHBondContact O-CG 3.4Å; H695-Q699 PolarHBondContact O-N 2.82Å; I697-Q699 PolarHBondContact O-N 2.9Å; Q699-K703 VanDerWaalsContact O-CG 3.31Å; Q699-K703 WeakPolarHBondContact O-CG 2.9Å; Q699-K703 PolarHBondContact O-N 2.85Å; Q699-K703 VanDerWaalsContact O-N 3.08Å
700	D	80.9	Confident	80.4	Confident	69 Å²	69	71.3 Å²	71.3	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-29.7	-178.5	-75.3	-16.3	0	0	0	113.4	S696 I697 V698 K703 Q704	S696-D700 WeakPolarHBondContact O-CB 3.45Å; S696-D700 VanDerWaalsContact O-CG 3.27Å; S696-D700 PolarHBondContact O-N 3.41Å; I697-D700 PolarHBondContact O-N 3.42Å; V698-D700 VanDerWaalsContact C-N 3.33Å; V698-D700 PolarHBondContact O-N 3.41Å; D700-K703 IonicContact OD1-NZ 3.42Å; D700-K703 PolarHBondContact OD1-NZ 3.05Å; D700-Q704 PolarHBondContact O-NE2 3.09Å; D700-Q704 VanDerWaalsContact O-NE2 3.11Å
701	F	79.8	Confident	80.4	Confident	5 Å²	5	69.7 Å²	69.7	2%	0.022	35%	0.345	C	S	.	.	H	α-helix	trans	-84.6	-28.8	174	-75.9	-76.6	0	0	0	112.3	Q681 L682 I697 V698 K703 Q704 Y706 I711	Q681-F701 HydrophobicContact CB-CE1 4.1Å; Q681-F701 HydrophobicContact CB-CZ 4.4Å; L682-F701 HydrophobicContact CD1-CE2 3.94Å; L682-F701 HydrophobicContact CD1-CZ 4.05Å; L682-F701 HydrophobicContact CG-CE2 4.18Å; L682-F701 HydrophobicContact CG-CZ 4.22Å; I697-F701 HydrophobicContact CG2-CD2 3.7Å; I697-F701 HydrophobicContact CG2-CE2 3.83Å; I697-F701 VanDerWaalsContact O-CD2 3.23Å; I697-F701 WeakPolarHBondContact O-CD2 3.38Å; I697-F701 PolarHBondContact O-N 2.95Å; I697-F701 VanDerWaalsContact O-N 3.07Å; V698-F701 PolarHBondContact O-N 3.3Å; F701-K703 VanDerWaalsContact C-N 3.32Å; F701-Q704 CarbonylContact O-C 3.57Å; F701-Q704 WeakPolarHBondContact O-CA 3.49Å; F701-Q704 WeakPolarHBondContact O-CB 3.36Å; F701-Q704 PolarHBondContact O-N 3.17Å; F701-Q704 VanDerWaalsContact O-N 3.07Å; F701-Y706 HydrophobicContact CD1-CD2 4.1Å; F701-Y706 HydrophobicContact CD1-CE2 4.45Å; F701-Y706 PolarHBondContact O-N 2.89Å; F701-I711 HydrophobicContact CB-CD1 3.31Å; F701-I711 HydrophobicContact CB-CG1 3.79Å; F701-I711 HydrophobicContact CG-CD1 4.44Å; F701-I711 HydrophobicContact CG-CG1 4.47Å
702	T	81.6	Confident	80.4	Confident	56 Å²	56	67.9 Å²	67.9	34%	0.344	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-38.3	168.9	-54	0	0	0	0	110.8	V698 Q704 K705 E708	V698-T702 WeakPolarHBondContact O-CB 3.29Å; V698-T702 PolarHBondContact O-N 3.45Å; V698-T702 PolarHBondContact O-OG1 2.84Å; T702-Q704 PolarHBondContact O-N 2.86Å; T702-K705 PolarHBondContact O-N 3.31Å; T702-E708 PolarHBondContact OG1-OE1 3.37Å
703	K	82.7	Confident	80.2	Confident	154 Å²	154	68.6 Å²	68.6	67%	0.67	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.2	171.3	-74.8	170.4	-167.6	161.8	0	113.4	Q699 D700 F701 K705	Q699-K703 VanDerWaalsContact O-CG 3.31Å; Q699-K703 WeakPolarHBondContact O-CG 2.9Å; Q699-K703 PolarHBondContact O-N 2.85Å; Q699-K703 VanDerWaalsContact O-N 3.08Å; D700-K703 IonicContact OD1-NZ 3.42Å; D700-K703 PolarHBondContact OD1-NZ 3.05Å; F701-K703 VanDerWaalsContact C-N 3.32Å; K703-K705 VanDerWaalsContact C-N 3.25Å; K703-K705 PolarHBondContact O-N 3.4Å
704	Q	78.8	Confident	80.1	Confident	68 Å²	68	66.7 Å²	66.7	32%	0.318	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.2	177.4	-69.1	171.1	52.8	0	0	113	D700 F701 T702 Y706	D700-Q704 PolarHBondContact O-NE2 3.09Å; D700-Q704 VanDerWaalsContact O-NE2 3.11Å; F701-Q704 CarbonylContact O-C 3.57Å; F701-Q704 WeakPolarHBondContact O-CA 3.49Å; F701-Q704 WeakPolarHBondContact O-CB 3.36Å; F701-Q704 PolarHBondContact O-N 3.17Å; F701-Q704 VanDerWaalsContact O-N 3.07Å; T702-Q704 PolarHBondContact O-N 2.86Å; Q704-Y706 VanDerWaalsContact C-N 3.32Å; Q704-Y706 HydrophobicContact CB-CD2 3.86Å; Q704-Y706 HydrophobicContact CB-CE2 4.01Å; Q704-Y706 PolarHBondContact O-N 3.33Å
705	K	78.4	Confident	80	Confident	196 Å²	196	64.9 Å²	64.9	85%	0.852	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	23.3	-179	-59.2	-175.4	175.5	-176.7	0	115.2	T702 K703	T702-K705 PolarHBondContact O-N 3.31Å; K703-K705 VanDerWaalsContact C-N 3.25Å; K703-K705 PolarHBondContact O-N 3.4Å
706	Y	80	Confident	79.8	Confident	41 Å²	41	64.3 Å²	64.3	16%	0.161	31%	0.308	C	S	.	.			trans	-82.4	142.2	168.9	-68	-72	0	0	0	111	M674 V678 F701 Q704	M674-Y706 HydrophobicContact SD-CD1 4.27Å; M674-Y706 HydrophobicContact SD-CE1 4.17Å; V678-Y706 HydrophobicContact CG2-CD1 3.73Å; V678-Y706 HydrophobicContact CG2-CD2 4.33Å; V678-Y706 HydrophobicContact CG2-CE1 3.85Å; V678-Y706 HydrophobicContact CG2-CE2 4.42Å; V678-Y706 HydrophobicContact CG2-CG 3.98Å; F701-Y706 HydrophobicContact CD1-CD2 4.1Å; F701-Y706 HydrophobicContact CD1-CE2 4.45Å; F701-Y706 PolarHBondContact O-N 2.89Å; Q704-Y706 VanDerWaalsContact C-N 3.32Å; Q704-Y706 HydrophobicContact CB-CD2 3.86Å; Q704-Y706 HydrophobicContact CB-CE2 4.01Å; Q704-Y706 PolarHBondContact O-N 3.33Å
707	P	80.9	Confident	79.5	Confident	63 Å²	63	63.8 Å²	63.8	41%	0.409	30%	0.302	S	S	.	.			trans	-64.5	136.9	174.8	-11.5	23.3	0	0	0	111.1	M674 H709 T710 I711	M674-P707 HydrophobicContact CE-CG 4.47Å; P707-H709 PolarHBondContact O-N 2.88Å; P707-T710 WeakPolarHBondContact O-CB 3.4Å; P707-T710 PolarHBondContact O-N 3.27Å; P707-I711 PolarHBondContact O-N 3.11Å
708	E	77.4	Confident	79.2	Confident	104 Å²	104	63.6 Å²	63.6	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-56.8	-39.3	-180	-66.2	-172.3	162.9	0	0	112.3	V698 T702 T710 I711 Y712	V698-E708 HydrophobicContact CG1-CG 4.19Å; T702-E708 PolarHBondContact OG1-OE1 3.37Å; E708-T710 VanDerWaalsContact C-N 3.3Å; E708-T710 PolarHBondContact O-N 2.9Å; E708-I711 PolarHBondContact O-N 3.25Å; E708-I711 VanDerWaalsContact O-N 3.15Å; E708-Y712 HydrophobicContact CB-CD2 4.45Å; E708-Y712 HydrophobicContact CB-CE2 4.39Å; E708-Y712 WeakPolarHBondContact O-CD2 3.26Å; E708-Y712 PolarHBondContact O-N 3.41Å
709	H	77.4	Confident	78.9	Confident	139 Å²	139	64.8 Å²	64.8	64%	0.644	31%	0.306	S	S	*	.	H	α-helix	trans	-57.3	-40.4	177.1	177.2	-140.5	0	0	0	112.9	P707 I711 K713	P707-H709 PolarHBondContact O-N 2.88Å; H709-I711 VanDerWaalsContact C-N 3.35Å; H709-I711 PolarHBondContact O-N 3.23Å; H709-K713 VanDerWaalsContact O-CB 3.3Å; H709-K713 WeakPolarHBondContact O-CB 3.49Å; H709-K713 PolarHBondContact O-N 3.3Å
710	T	77.5	Confident	78.3	Confident	16 Å²	16	68.4 Å²	68.4	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-66.2	-39.3	179.3	-52.4	0	0	0	0	111.1	L675 P707 E708 K713 V714	L675-T710 HydrophobicContact CD2-CG2 3.48Å; L675-T710 VanDerWaalsContact CD2-CG2 3.48Å; L675-T710 HydrophobicContact CG-CG2 4.02Å; P707-T710 WeakPolarHBondContact O-CB 3.4Å; P707-T710 PolarHBondContact O-N 3.27Å; E708-T710 VanDerWaalsContact C-N 3.3Å; E708-T710 PolarHBondContact O-N 2.9Å; T710-K713 PolarHBondContact O-N 3.28Å; T710-V714 WeakPolarHBondContact O-CG2 3.21Å; T710-V714 PolarHBondContact O-N 3.46Å
711	I	80.6	Confident	77.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-48.2	179.9	-60.3	154.3	0	0	0	110.5	I697 V698 F701 P707 E708 H709 K713 V714 L715	I697-I711 HydrophobicContact CG2-CG2 4.39Å; V698-I711 HydrophobicContact CG2-CG2 4.32Å; F701-I711 HydrophobicContact CB-CD1 3.31Å; F701-I711 HydrophobicContact CB-CG1 3.79Å; F701-I711 HydrophobicContact CG-CD1 4.44Å; F701-I711 HydrophobicContact CG-CG1 4.47Å; P707-I711 PolarHBondContact O-N 3.11Å; E708-I711 PolarHBondContact O-N 3.25Å; E708-I711 VanDerWaalsContact O-N 3.15Å; H709-I711 VanDerWaalsContact C-N 3.35Å; H709-I711 PolarHBondContact O-N 3.23Å; I711-K713 VanDerWaalsContact C-N 3.27Å; I711-K713 PolarHBondContact O-N 2.99Å; I711-V714 PolarHBondContact O-N 3.03Å; I711-L715 HydrophobicContact CG2-CD1 4.11Å; I711-L715 WeakPolarHBondContact O-CB 3.36Å; I711-L715 WeakPolarHBondContact O-CG 3.47Å; I711-L715 PolarHBondContact O-N 3.07Å
712	Y	81.4	Confident	77.5	Confident	76 Å²	76	71.7 Å²	71.7	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-38.4	176	-78.8	-68.5	0	0	0	111.8	E694 V698 E708 L715 H716	E694-Y712 WeakPolarHBondContact OE1-CE1 3.36Å; V698-Y712 HydrophobicContact CG1-CE2 4.22Å; V698-Y712 HydrophobicContact CG2-CE1 4.02Å; V698-Y712 HydrophobicContact CG2-CE2 4.08Å; E708-Y712 HydrophobicContact CB-CD2 4.45Å; E708-Y712 HydrophobicContact CB-CE2 4.39Å; E708-Y712 WeakPolarHBondContact O-CD2 3.26Å; E708-Y712 PolarHBondContact O-N 3.41Å; Y712-L715 PolarHBondContact O-N 3.24Å; Y712-H716 WeakPolarHBondContact O-CB 3.33Å; Y712-H716 PolarHBondContact O-CD2 3.01Å; Y712-H716 PolarHBondContact O-N 3.03Å
713	K	77.6	Confident	77.2	Confident	60 Å²	60	70.7 Å²	70.7	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-43.4	177.2	-164.5	172.9	-178.8	-176.3	0	112	H709 T710 I711 L717	H709-K713 VanDerWaalsContact O-CB 3.3Å; H709-K713 WeakPolarHBondContact O-CB 3.49Å; H709-K713 PolarHBondContact O-N 3.3Å; T710-K713 PolarHBondContact O-N 3.28Å; I711-K713 VanDerWaalsContact C-N 3.27Å; I711-K713 PolarHBondContact O-N 2.99Å; K713-L717 WeakPolarHBondContact O-CB 3.29Å; K713-L717 WeakPolarHBondContact O-CG 3.11Å; K713-L717 PolarHBondContact O-N 3.2Å
714	V	78.8	Confident	77	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-43.2	175.3	175.3	0	0	0	0	111.5	L675 V678 E679 L682 T710 I711 H716 L717 M718	L675-V714 HydrophobicContact CD2-CG2 3.48Å; L675-V714 VanDerWaalsContact CD2-CG2 3.48Å; V678-V714 HydrophobicContact CB-CG2 4.29Å; V678-V714 HydrophobicContact CG1-CB 4.27Å; V678-V714 HydrophobicContact CG1-CG1 4.32Å; V678-V714 HydrophobicContact CG1-CG2 4.05Å; E679-V714 HydrophobicContact CB-CG1 3.99Å; E679-V714 HydrophobicContact CG-CG1 4.31Å; L682-V714 HydrophobicContact CD1-CG1 4.2Å; T710-V714 WeakPolarHBondContact O-CG2 3.21Å; T710-V714 PolarHBondContact O-N 3.46Å; I711-V714 PolarHBondContact O-N 3.03Å; V714-H716 PolarHBondContact O-N 3.39Å; V714-L717 WeakPolarHBondContact O-CB 3.44Å; V714-L717 PolarHBondContact O-N 2.76Å; V714-M718 HydrophobicContact CG1-CG 4.42Å; V714-M718 HydrophobicContact CG1-SD 4.19Å; V714-M718 WeakPolarHBondContact O-CG 3.23Å; V714-M718 PolarHBondContact O-N 2.62Å
715	L	79.9	Confident	77.1	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-45.7	176.8	-76.9	174.6	0	0	0	111.8	L682 E694 I697 I711 Y712 L717 M718 L719 L724 L733	L682-L715 HydrophobicContact CD2-CD2 3.75Å; E694-L715 HydrophobicContact CG-CD1 4.22Å; I697-L715 HydrophobicContact CD1-CD2 4.42Å; I697-L715 HydrophobicContact CG2-CD1 4.21Å; I697-L715 HydrophobicContact CG2-CD2 4.48Å; I711-L715 HydrophobicContact CG2-CD1 4.11Å; I711-L715 WeakPolarHBondContact O-CB 3.36Å; I711-L715 WeakPolarHBondContact O-CG 3.47Å; I711-L715 PolarHBondContact O-N 3.07Å; Y712-L715 PolarHBondContact O-N 3.24Å; L715-L717 VanDerWaalsContact C-N 3.33Å; L715-L717 PolarHBondContact O-N 2.8Å; L715-M718 PolarHBondContact O-N 2.83Å; L715-L719 WeakPolarHBondContact O-CB 3.45Å; L715-L719 WeakPolarHBondContact O-CD1 3.41Å; L715-L719 WeakPolarHBondContact O-CG 3.31Å; L715-L719 PolarHBondContact O-N 2.78Å; L715-L724 HydrophobicContact CD2-CD1 3.81Å; L715-L733 HydrophobicContact CD1-CD1 4.32Å; L715-L733 HydrophobicContact CD2-CD1 3.72Å
716	H	77.1	Confident	77.3	Confident	123 Å²	123	59.1 Å²	59.1	57%	0.569	28%	0.277	S	S	*	.	H	α-helix	trans	-61.7	-38.6	174.5	-91.9	-70.3	0	0	0	112.7	Y712 V714 R720	Y712-H716 WeakPolarHBondContact O-CB 3.33Å; Y712-H716 PolarHBondContact O-CD2 3.01Å; Y712-H716 PolarHBondContact O-N 3.03Å; V714-H716 PolarHBondContact O-N 3.39Å; H716-R720 VanDerWaalsContact O-CB 3.26Å; H716-R720 WeakPolarHBondContact O-CB 3.43Å; H716-R720 PolarHBondContact O-N 3.3Å
717	L	73.4	Confident	77	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.199	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-45	174.7	-82.5	163.4	0	0	0	111.9	K713 V714 L715 R720 R721	K713-L717 WeakPolarHBondContact O-CB 3.29Å; K713-L717 WeakPolarHBondContact O-CG 3.11Å; K713-L717 PolarHBondContact O-N 3.2Å; V714-L717 WeakPolarHBondContact O-CB 3.44Å; V714-L717 PolarHBondContact O-N 2.76Å; L715-L717 VanDerWaalsContact C-N 3.33Å; L715-L717 PolarHBondContact O-N 2.8Å; L717-R720 PolarHBondContact O-N 3.41Å; L717-R721 WeakPolarHBondContact O-CB 3.44Å; L717-R721 WeakPolarHBondContact O-CG 3.48Å; L717-R721 PolarHBondContact O-N 3.25Å
718	M	74.1	Confident	76.1	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-36	178.2	-70.4	-175.8	76.3	0	0	112.5	E679 L682 K683 V714 L715 G722 E723 L724	E679-M718 HydrophobicContact CG-SD 4.48Å; L682-M718 HydrophobicContact CB-SD 4.11Å; L682-M718 HydrophobicContact CD2-SD 3.83Å; L682-M718 HydrophobicContact CG-SD 4.48Å; K683-M718 HydrophobicContact CG-CE 3.89Å; V714-M718 HydrophobicContact CG1-CG 4.42Å; V714-M718 HydrophobicContact CG1-SD 4.19Å; V714-M718 WeakPolarHBondContact O-CG 3.23Å; V714-M718 PolarHBondContact O-N 2.62Å; L715-M718 PolarHBondContact O-N 2.83Å; M718-G722 PolarHBondContact O-N 3.35Å; M718-E723 HydrophobicContact CB-CB 4.48Å; M718-E723 HydrophobicContact CE-CB 4.41Å; M718-E723 VanDerWaalsContact CE-OE2 3.29Å; M718-E723 WeakPolarHBondContact CE-OE2 3.41Å; M718-E723 PolarHBondContact O-N 3.45Å; M718-L724 HydrophobicContact CB-CD1 3.64Å; M718-L724 HydrophobicContact CB-CG 3.96Å; M718-L724 HydrophobicContact CE-CD1 4.35Å; M718-L724 HydrophobicContact CE-CG 4.34Å; M718-L724 PolarHBondContact O-N 2.98Å; M718-L724 HydrophobicContact SD-CD1 4.23Å
719	L	77.3	Confident	75.6	Confident	32 Å²	32	70.3 Å²	70.3	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-43.8	170.3	-79.4	160.6	0	0	0	111.5	L715 G722 L724 H726 L733	L715-L719 WeakPolarHBondContact O-CB 3.45Å; L715-L719 WeakPolarHBondContact O-CD1 3.41Å; L715-L719 WeakPolarHBondContact O-CG 3.31Å; L715-L719 PolarHBondContact O-N 2.78Å; L719-G722 PolarHBondContact O-N 3.32Å; L719-G722 VanDerWaalsContact O-N 3.09Å; L719-L724 HydrophobicContact CD2-CB 3.97Å; L719-L724 HydrophobicContact CG-CB 4.08Å; L719-H726 WeakPolarHBondContact CD1-NE2 3.35Å; L719-L733 HydrophobicContact CD1-CD2 4.03Å; L719-L733 HydrophobicContact CD2-CD2 3.76Å; L719-L733 HydrophobicContact CG-CD2 4.14Å
720	R	69	Low	75.2	Confident	191 Å²	191	73 Å²	73	72%	0.721	33%	0.327	S	S	*	.	H	α-helix	trans	-68	-34.8	179.3	-171.9	-178.3	-79.9	-174.7	-5.7	112.3	H716 L717 G722	H716-R720 VanDerWaalsContact O-CB 3.26Å; H716-R720 WeakPolarHBondContact O-CB 3.43Å; H716-R720 PolarHBondContact O-N 3.3Å; L717-R720 PolarHBondContact O-N 3.41Å; R720-G722 PolarHBondContact O-N 3.42Å
721	R	72.6	Confident	74.7	Confident	106 Å²	106	79.4 Å²	79.4	40%	0.4	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.3	172.3	-72.3	177.7	177.5	169.4	0.9	113.1	E679 L717 E723	E679-R721 IonicContact OE1-NH1 3.32Å; E679-R721 PolarHBondContact OE1-NH1 3.25Å; E679-R721 IonicContact OE2-NH1 2.86Å; E679-R721 PolarHBondContact OE2-NH1 2.93Å; L717-R721 WeakPolarHBondContact O-CB 3.44Å; L717-R721 WeakPolarHBondContact O-CG 3.48Å; L717-R721 PolarHBondContact O-N 3.25Å; R721-E723 HydrophobicContact CB-CG 4.04Å; R721-E723 PolarHBondContact O-N 3.21Å
722	G	70.5	Confident	74.7	Confident	37 Å²	37	80.9 Å²	80.9	38%	0.381	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	16.1	-176	0	0	0	0	0	113.7	M718 L719 R720	M718-G722 PolarHBondContact O-N 3.35Å; L719-G722 PolarHBondContact O-N 3.32Å; L719-G722 VanDerWaalsContact O-N 3.09Å; R720-G722 PolarHBondContact O-N 3.42Å
723	E	76.7	Confident	74.7	Confident	34 Å²	34	77.5 Å²	77.5	16%	0.159	35%	0.349	C	S	.	.	S	Bend	trans	-75.2	-34.2	173.6	-63.7	179.7	175.2	0	0	110.6	K683 M718 R721 R735 V736 K737	K683-E723 WeakPolarHBondContact CE-OE1 3.47Å; K683-E723 WeakPolarHBondContact CE-OE2 3.43Å; K683-E723 IonicContact NZ-OE1 3.63Å; K683-E723 PolarHBondContact NZ-OE1 3.01Å; K683-E723 IonicContact NZ-OE2 3.82Å; K683-E723 PolarHBondContact NZ-OE2 2.91Å; M718-E723 HydrophobicContact CB-CB 4.48Å; M718-E723 HydrophobicContact CE-CB 4.41Å; M718-E723 VanDerWaalsContact CE-OE2 3.29Å; M718-E723 WeakPolarHBondContact CE-OE2 3.41Å; M718-E723 PolarHBondContact O-N 3.45Å; R721-E723 HydrophobicContact CB-CG 4.04Å; R721-E723 PolarHBondContact O-N 3.21Å; E723-R735 CarbonylContact O-C 3.56Å; E723-R735 WeakPolarHBondContact O-CA 3.43Å; E723-V736 PolarHBondContact O-N 3.12Å; E723-K737 PolarHBondContact O-N 3.16Å
724	L	78.4	Confident	74.8	Confident	9 Å²	9	77.2 Å²	77.2	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.1	173.5	-64.3	173.9	0	0	0	110.5	L715 M718 L719 Y734 R735	L715-L724 HydrophobicContact CD2-CD1 3.81Å; M718-L724 HydrophobicContact CB-CD1 3.64Å; M718-L724 HydrophobicContact CB-CG 3.96Å; M718-L724 HydrophobicContact CE-CD1 4.35Å; M718-L724 HydrophobicContact CE-CG 4.34Å; M718-L724 PolarHBondContact O-N 2.98Å; M718-L724 HydrophobicContact SD-CD1 4.23Å; L719-L724 HydrophobicContact CD2-CB 3.97Å; L719-L724 HydrophobicContact CG-CB 4.08Å; L724-Y734 CarbonylContact C-O 3.48Å; L724-Y734 WeakPolarHBondContact CA-O 3.24Å; L724-R735 HydrophobicContact CD2-CB 3.81Å; L724-R735 HydrophobicContact CD2-CG 4.09Å
725	Q	81.2	Confident	74.8	Confident	100 Å²	100	78.3 Å²	78.3	47%	0.467	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.9	174.4	-169.5	179.7	33.5	0	0	110.1	R727 Y734 V736	Q725-R727 PolarHBondContact O-N 2.9Å; Q725-Y734 PolarHBondContact N-O 3.28Å; Q725-Y734 PolarHBondContact O-N 2.86Å; Q725-V736 HydrophobicContact CB-CG2 3.79Å
726	H	80.9	Confident	74.6	Confident	66 Å²	66	81.2 Å²	81.2	31%	0.306	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.3	171.1	-72.8	-72.2	0	0	0	110.7	E694 L719 R730 V732 L733	E694-H726 IonicContact OE2-CE1 2.71Å; L719-H726 WeakPolarHBondContact CD1-NE2 3.35Å; H726-R730 HydrophobicContact CB-CG 4.44Å; H726-V732 WeakPolarHBondContact CA-O 3.44Å; H726-L733 WeakPolarHBondContact ND1-CD2 3.47Å
727	R	74.4	Confident	73.6	Confident	114 Å²	114	83.2 Å²	83.2	43%	0.43	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	161.5	167.1	-72.2	-168.8	173.5	-167.9	-1.2	109.7	Q725 V732	Q725-R727 PolarHBondContact O-N 2.9Å; R727-V732 PolarHBondContact N-O 2.84Å; R727-V732 PolarHBondContact O-N 2.71Å
728	M	62.2	Low	73.7	Confident	151 Å²	151	85.5 Å²	85.5	74%	0.744	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	71.9	178.2	-68.8	-78.8	-172.2	0	0	113.4	R730 K731 V732	M728-R730 PolarHBondContact O-N 3.49Å; M728-R730 VanDerWaalsContact O-N 3.16Å; M728-R730 VanDerWaalsContact C-N 3.3Å; M728-K731 PolarHBondContact O-N 3.2Å; M728-V732 HydrophobicContact CB-CG2 4.25Å
729	Q	66.9	Low	73.6	Confident	179 Å²	179	89.8 Å²	89.8	84%	0.836	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	45.8	175.6	-65.5	-179.8	-11	0	0	114	K731	Q729-K731 PolarHBondContact O-N 3.07Å; Q729-K731 VanDerWaalsContact O-N 3.14Å
730	R	67.6	Low	73.4	Confident	196 Å²	196	93.1 Å²	93.1	74%	0.74	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	7.1	-179.2	-59.2	-178.1	177	177.3	-1.5	116.3	H726 M728	H726-R730 HydrophobicContact CB-CG 4.44Å; M728-R730 PolarHBondContact O-N 3.49Å; M728-R730 VanDerWaalsContact O-N 3.16Å; M728-R730 VanDerWaalsContact C-N 3.3Å
731	K	68.6	Low	73.7	Confident	150 Å²	150	87.3 Å²	87.3	65%	0.652	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-21.5	-179	-68	-177.9	178.2	177.4	0	114.1	S693 E694 M728 Q729	S693-K731 WeakPolarHBondContact CA-O 3.32Å; E694-K731 PolarHBondContact N-O 3.03Å; M728-K731 PolarHBondContact O-N 3.2Å; Q729-K731 PolarHBondContact O-N 3.07Å; Q729-K731 VanDerWaalsContact O-N 3.14Å
732	V	79.2	Confident	73.8	Confident	30 Å²	30	86.1 Å²	86.1	18%	0.182	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	-174.7	-173.3	0	0	0	0	110.5	Q691 H726 R727 M728	Q691-V732 HydrophobicContact CB-CG1 3.9Å; H726-V732 WeakPolarHBondContact CA-O 3.44Å; R727-V732 PolarHBondContact N-O 2.84Å; R727-V732 PolarHBondContact O-N 2.71Å; M728-V732 HydrophobicContact CB-CG2 4.25Å
733	L	81.4	Confident	74	Confident	5 Å²	5	89.4 Å²	89.4	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.8	174	-66.6	168.3	0	0	0	109	Q691 V692 E694 I697 L715 L719 H726	Q691-L733 WeakPolarHBondContact CA-O 3.5Å; V692-L733 PolarHBondContact N-O 2.84Å; V692-L733 PolarHBondContact O-N 3.48Å; E694-L733 HydrophobicContact CB-CD1 4.09Å; E694-L733 HydrophobicContact CB-CG 4.49Å; E694-L733 HydrophobicContact CG-CD1 4.17Å; I697-L733 HydrophobicContact CD1-CD1 3.98Å; L715-L733 HydrophobicContact CD1-CD1 4.32Å; L715-L733 HydrophobicContact CD2-CD1 3.72Å; L719-L733 HydrophobicContact CD1-CD2 4.03Å; L719-L733 HydrophobicContact CD2-CD2 3.76Å; L719-L733 HydrophobicContact CG-CD2 4.14Å; H726-L733 WeakPolarHBondContact ND1-CD2 3.47Å
734	Y	80.4	Confident	73.8	Confident	55 Å²	55	93.4 Å²	93.4	22%	0.216	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.4	176.6	178.6	-106.5	0	0	0	109.8	G689 Q691 L724 Q725 V736	G689-Y734 WeakPolarHBondContact O-CE2 3.38Å; Q691-Y734 HydrophobicContact CG-CD2 3.47Å; Q691-Y734 VanDerWaalsContact CG-CD2 3.47Å; Q691-Y734 HydrophobicContact CG-CE2 4.18Å; Q691-Y734 HydrophobicContact CG-CG 4.41Å; L724-Y734 CarbonylContact C-O 3.48Å; L724-Y734 WeakPolarHBondContact CA-O 3.24Å; Q725-Y734 PolarHBondContact N-O 3.28Å; Q725-Y734 PolarHBondContact O-N 2.86Å; Y734-V736 HydrophobicContact CD1-CG2 3.67Å; Y734-V736 HydrophobicContact CE1-CG2 3.98Å; Y734-V736 PolarHBondContact O-N 3.01Å
735	R	79.7	Confident	73.4	Confident	25 Å²	25	99.8 Å²	99.8	9%	0.094	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114	178	-170.5	173.6	177.3	-179	-1.8	111.4	K683 F686 G689 S690 E723 L724 K737	K683-R735 VanDerWaalsContact CA-NH1 3.3Å; K683-R735 PolarHBondContact O-NH1 3.45Å; F686-R735 WeakPolarHBondContact O-CD 3.44Å; F686-R735 PolarHBondContact O-NH1 3.27Å; G689-R735 PolarHBondContact N-O 3.25Å; S690-R735 PolarHBondContact O-N 3.25Å; E723-R735 CarbonylContact O-C 3.56Å; E723-R735 WeakPolarHBondContact O-CA 3.43Å; L724-R735 HydrophobicContact CD2-CB 3.81Å; L724-R735 HydrophobicContact CD2-CG 4.09Å; R735-K737 WeakPolarHBondContact CG-O 3.47Å; R735-K737 PolarHBondContact NE-O 2.89Å; R735-K737 PolarHBondContact NH2-O 3.14Å
736	V	74.3	Confident	72.8	Confident	63 Å²	63	99.8 Å²	99.8	38%	0.382	44%	0.443	S	S	.	.			trans	-92.2	-34.1	-176.6	-174	0	0	0	0	111.9	E723 Q725 Y734	E723-V736 PolarHBondContact O-N 3.12Å; Q725-V736 HydrophobicContact CB-CG2 3.79Å; Y734-V736 HydrophobicContact CD1-CG2 3.67Å; Y734-V736 HydrophobicContact CE1-CG2 3.98Å; Y734-V736 PolarHBondContact O-N 3.01Å
737	K	57.7	Low	72	Confident	164 Å²	164	102.9 Å²	102.9	71%	0.713	46%	0.456	S	S	*	.			trans	-133.8	0	-177	-74	-176.6	177.1	178.3	0	113.6	I688 E723 R735	I688-K737 VanDerWaalsContact CD1-OXT 3.29Å; I688-K737 WeakPolarHBondContact CD1-OXT 3.33Å; E723-K737 PolarHBondContact O-N 3.16Å; R735-K737 WeakPolarHBondContact CG-O 3.47Å; R735-K737 PolarHBondContact NE-O 2.89Å; R735-K737 PolarHBondContact NH2-O 3.14Å

Retrieved 737 of 737 residues in 820.9 ms (Link to these results)

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