A0A096LRQ9_POEFO Loading...

Alpha-macroglobulin receptor-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LRQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 624 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	84.2	Confident	89.6	Confident	49 Å²	49	58.3 Å²	58.3	24%	0.241	37%	0.365	C	S	.	.				0	133.8	0	-178.3	-173.3	67.2	0	0	109.9	V3 T22 S23 L25 K31 A51 E52	M1-V3 HydrophobicContact CE-CG2 3.7Å; M1-V3 HydrophobicContact CG-CG2 4.06Å; M1-V3 HydrophobicContact SD-CG2 3.96Å; M1-T22 CarbonylContact O-C 3.45Å; M1-T22 VanDerWaalsContact O-CA 3.31Å; M1-T22 WeakPolarHBondContact O-CA 3.12Å; M1-S23 PolarHBondContact N-O 3.1Å; M1-S23 PolarHBondContact O-N 3.43Å; M1-L25 HydrophobicContact CB-CB 4.38Å; M1-L25 HydrophobicContact CE-CD2 4.25Å; M1-L25 HydrophobicContact SD-CD2 3.78Å; M1-K31 HydrophobicContact CE-CB 4.37Å; M1-A51 HydrophobicContact SD-CB 4.38Å; M1-E52 CarbonylContact C-O 3.6Å; M1-E52 VanDerWaalsContact CA-O 3.26Å; M1-E52 WeakPolarHBondContact CA-O 3.43Å
2	K	88.8	Confident	89.9	Confident	94 Å²	94	59.3 Å²	59.3	41%	0.409	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.6	169.5	178.2	-178.5	176.4	-171.8	0	108.6	Y21 T22 A51 E52 V54	K2-Y21 CarbonylContact C-O 3.57Å; K2-Y21 VanDerWaalsContact CA-O 3.3Å; K2-Y21 WeakPolarHBondContact CA-O 3.39Å; K2-T22 HydrophobicContact CB-CG2 4.47Å; K2-A51 CarbonylContact O-C 3.59Å; K2-A51 WeakPolarHBondContact O-CA 3.37Å; K2-E52 PolarHBondContact N-O 3.42Å; K2-E52 PolarHBondContact O-N 3.26Å; K2-V54 HydrophobicContact CB-CG1 3.76Å; K2-V54 HydrophobicContact CB-CG2 3.97Å; K2-V54 HydrophobicContact CD-CG1 4.22Å
3	V	91	Very high	89.9	Confident	18 Å²	18	57.8 Å²	57.8	11%	0.109	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.1	177	-168.5	0	0	0	0	109.4	M1 Y21 L33 W35 V49 S50 A51	M1-V3 HydrophobicContact CE-CG2 3.7Å; M1-V3 HydrophobicContact CG-CG2 4.06Å; M1-V3 HydrophobicContact SD-CG2 3.96Å; V3-Y21 PolarHBondContact N-O 3.18Å; V3-L33 HydrophobicContact CB-CD1 3.67Å; V3-L33 HydrophobicContact CG1-CD1 4.31Å; V3-L33 HydrophobicContact CG2-CD1 3.54Å; V3-W35 HydrophobicContact CB-CH2 4.44Å; V3-W35 HydrophobicContact CG1-CH2 3.61Å; V3-W35 HydrophobicContact CG1-CZ2 4.15Å; V3-V49 HydrophobicContact CG1-CG1 3.65Å; V3-S50 CarbonylContact C-O 3.57Å; V3-S50 WeakPolarHBondContact CA-O 3.2Å; V3-S50 WeakPolarHBondContact CG1-O 3.33Å; V3-A51 HydrophobicContact CG2-CB 4.08Å
4	S	90.6	Very high	89.8	Confident	53 Å²	53	58.3 Å²	58.3	37%	0.371	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.6	-178.1	52.9	0	0	0	0	111	S50	S4-S50 PolarHBondContact N-O 2.97Å; S4-S50 PolarHBondContact O-N 3.25Å
5	A	90.6	Very high	89.5	Confident	33 Å²	33	59.7 Å²	59.7	27%	0.273	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146.1	170.7	0	0	0	0	0	110.8	L13 V49	A5-L13 HydrophobicContact CB-CD1 3.48Å; A5-L13 VanDerWaalsContact CB-CD1 3.48Å; A5-V49 HydrophobicContact CB-CG2 4.33Å
6	A	90.8	Very high	89.1	Confident	40 Å²	40	60.9 Å²	60.9	33%	0.331	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71.1	141.9	173	0	0	0	0	0	110.4	T48	A6-T48 HydrophobicContact CB-CG2 4.35Å; A6-T48 PolarHBondContact N-O 3.08Å
7	P	89.8	Confident	88	Confident	135 Å²	135	65.1 Å²	65.1	88%	0.877	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-67.7	148.4	173.3	29.5	-34	0	0	0	110.7
8	S	91.1	Very high	86.9	Confident	43 Å²	43	65.9 Å²	65.9	30%	0.301	43%	0.432	S	S	.	.			trans	-142.9	148.9	177.2	-176.4	0	0	0	0	110.1	D10 Y11	S8-D10 VanDerWaalsContact C-N 3.3Å; S8-D10 PolarHBondContact OG-N 2.79Å; S8-D10 VanDerWaalsContact OG-N 3.08Å; S8-Y11 WeakPolarHBondContact OG-CD1 3.33Å; S8-Y11 VanDerWaalsContact OG-CE1 3.28Å; S8-Y11 WeakPolarHBondContact OG-CE1 3.38Å
9	S	89.1	Confident	86.2	Confident	105 Å²	105	65.4 Å²	65.4	73%	0.734	43%	0.425	S	S	*	.	S	Bend	trans	-76.8	-21	167.4	46.8	0	0	0	0	112.7	T40	S9-T40 PolarHBondContact O-OG1 2.82Å
10	D	88.2	Confident	85.8	Confident	62 Å²	62	68.7 Å²	68.7	33%	0.332	44%	0.435	S	S	.	.	S	Bend	trans	-92.9	-12.7	-165.7	-55.5	-13.9	0	0	0	112.5	S8 T40 A41 V45	S8-D10 VanDerWaalsContact C-N 3.3Å; S8-D10 PolarHBondContact OG-N 2.79Å; S8-D10 VanDerWaalsContact OG-N 3.08Å; D10-T40 PolarHBondContact O-N 3.01Å; D10-T40 PolarHBondContact O-OG1 3.49Å; D10-T40 VanDerWaalsContact O-OG1 3.07Å; D10-A41 HydrophobicContact CB-CB 3.88Å; D10-A41 PolarHBondContact O-N 2.94Å; D10-A41 VanDerWaalsContact O-N 3.15Å; D10-V45 HydrophobicContact CB-CG1 3.82Å
11	Y	91.9	Very high	85.6	Confident	9 Å²	9	67 Å²	67	4%	0.035	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	162.2	178.8	60.3	-95.4	0	0	0	111.2	S8 L13 M37 N38 V45 N46 V47	S8-Y11 WeakPolarHBondContact OG-CD1 3.33Å; S8-Y11 VanDerWaalsContact OG-CE1 3.28Å; S8-Y11 WeakPolarHBondContact OG-CE1 3.38Å; Y11-L13 HydrophobicContact CD2-CD1 4.26Å; Y11-L13 HydrophobicContact CD2-CD2 4.38Å; Y11-L13 HydrophobicContact CD2-CG 3.8Å; Y11-L13 HydrophobicContact CE2-CD1 3.68Å; Y11-L13 HydrophobicContact CE2-CG 3.74Å; Y11-M37 HydrophobicContact CD1-CE 4.13Å; Y11-M37 HydrophobicContact CD2-CE 4.4Å; Y11-M37 HydrophobicContact CG-CE 3.84Å; Y11-N38 CarbonylContact C-O 3.59Å; Y11-N38 WeakPolarHBondContact CA-O 3.4Å; Y11-V45 HydrophobicContact CD1-CB 4.2Å; Y11-N46 WeakPolarHBondContact CE1-O 3.49Å; Y11-N46 PolarHBondContact OH-O 3.1Å; Y11-N46 VanDerWaalsContact OH-O 3.14Å; Y11-V47 HydrophobicContact CD1-CG2 4.38Å; Y11-V47 HydrophobicContact CE1-CG2 3.96Å; Y11-V47 HydrophobicContact CE2-CG1 4.45Å; Y11-V47 HydrophobicContact CE2-CG2 4.35Å; Y11-V47 WeakPolarHBondContact OH-CA 3.26Å
12	T	92.3	Very high	85.6	Confident	70 Å²	70	68.6 Å²	68.6	43%	0.429	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.7	169.4	55.2	0	0	0	0	110.1	M37 N38	T12-M37 WeakPolarHBondContact O-CA 3.36Å; T12-N38 PolarHBondContact N-O 2.9Å; T12-N38 PolarHBondContact O-N 3.33Å; T12-N38 WeakPolarHBondContact OG1-CB 3.3Å; T12-N38 PolarHBondContact OG1-O 3.39Å
13	L	90.4	Very high	85.5	Confident	41 Å²	41	65 Å²	65	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.2	174.4	-69.7	174.6	0	0	0	109.5	A5 Y11 W35 T36 M37 V47	A5-L13 HydrophobicContact CB-CD1 3.48Å; A5-L13 VanDerWaalsContact CB-CD1 3.48Å; Y11-L13 HydrophobicContact CD2-CD1 4.26Å; Y11-L13 HydrophobicContact CD2-CD2 4.38Å; Y11-L13 HydrophobicContact CD2-CG 3.8Å; Y11-L13 HydrophobicContact CE2-CD1 3.68Å; Y11-L13 HydrophobicContact CE2-CG 3.74Å; L13-W35 HydrophobicContact CB-CB 4.35Å; L13-W35 HydrophobicContact CB-CG 4.39Å; L13-W35 HydrophobicContact CD2-CB 4.13Å; L13-T36 WeakPolarHBondContact CA-O 3.3Å; L13-M37 HydrophobicContact CD2-CB 3.57Å; L13-M37 HydrophobicContact CD2-CG 3.7Å; L13-M37 HydrophobicContact CD2-SD 4.33Å; L13-V47 HydrophobicContact CD1-CG1 3.91Å
14	S	88.9	Confident	85.2	Confident	64 Å²	64	66.9 Å²	66.9	45%	0.448	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.1	178	-60.3	0	0	0	0	110.1	W35 T36	S14-W35 CarbonylContact O-C 3.6Å; S14-W35 WeakPolarHBondContact O-CA 3.37Å; S14-T36 PolarHBondContact N-O 3.36Å; S14-T36 PolarHBondContact O-N 3.3Å
15	P	85.4	Confident	85	Confident	80 Å²	80	67.7 Å²	67.7	52%	0.519	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	140.2	171.9	-31.5	39.6	0	0	0	112.9	Y21	P15-Y21 WeakPolarHBondContact CA-OH 3.09Å; P15-Y21 HydrophobicContact CB-CD2 4.25Å; P15-Y21 HydrophobicContact CB-CE2 3.46Å; P15-Y21 VanDerWaalsContact CB-CE2 3.46Å; P15-Y21 HydrophobicContact CG-CE2 4.29Å
16	L	82.9	Confident	84.7	Confident	78 Å²	78	67.9 Å²	67.9	41%	0.408	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-74	142.9	172.5	-75.2	177.8	0	0	0	111.1	G18 D19 Y21 S34 T36	L16-G18 PolarHBondContact O-N 3.33Å; L16-D19 PolarHBondContact O-N 3.27Å; L16-Y21 PolarHBondContact N-OH 3.24Å; L16-S34 VanDerWaalsContact CD1-CB 3.48Å; L16-T36 WeakPolarHBondContact CD2-OG1 3.25Å
17	S	70.6	Confident	84.3	Confident	132 Å²	132	70.3 Å²	70.3	92%	0.923	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	119.6	179	-48.8	0	0	0	0	110.7
18	G	67.1	Low	84	Confident	80 Å²	80	72.4 Å²	72.4	83%	0.825	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.7	-15.2	179.3	0	0	0	0	0	114.9	L16 Q20	L16-G18 PolarHBondContact O-N 3.33Å; G18-Q20 PolarHBondContact O-N 3.2Å
19	D	74.9	Confident	83.9	Confident	56 Å²	56	75 Å²	75	30%	0.299	46%	0.463	S	S	.	.			trans	-77.7	124.6	175.9	-85.5	-5.1	0	0	0	111.2	L16 Y21 L33 S34	L16-D19 PolarHBondContact O-N 3.27Å; D19-Y21 HydrophobicContact CB-CD2 4.2Å; D19-Y21 HydrophobicContact CB-CE1 4.49Å; D19-Y21 HydrophobicContact CB-CE2 3.4Å; D19-Y21 VanDerWaalsContact O-CD2 3.26Å; D19-Y21 WeakPolarHBondContact O-CD2 3.45Å; D19-Y21 VanDerWaalsContact O-CE2 3.3Å; D19-Y21 WeakPolarHBondContact O-CE2 3.35Å; D19-L33 HydrophobicContact CB-CD2 4.12Å; D19-S34 PolarHBondContact OD2-N 2.89Å
20	Q	77.3	Confident	83.8	Confident	131 Å²	131	80.1 Å²	80.1	61%	0.612	47%	0.466	S	S	*	.			trans	-91.4	99.7	169.3	-70.5	-175.3	-3.5	0	0	110	G18 T22 S23	G18-Q20 PolarHBondContact O-N 3.2Å; Q20-T22 PolarHBondContact O-N 3.48Å; Q20-S23 PolarHBondContact O-OG 3.29Å
21	Y	80.9	Confident	83.8	Confident	34 Å²	34	81 Å²	81	13%	0.133	47%	0.467	C	S	.	.	S	Bend	trans	-71.8	-7.9	178.8	-63.5	-92	0	0	0	113.5	K2 V3 P15 L16 D19 L33 S34 W35	K2-Y21 CarbonylContact C-O 3.57Å; K2-Y21 VanDerWaalsContact CA-O 3.3Å; K2-Y21 WeakPolarHBondContact CA-O 3.39Å; V3-Y21 PolarHBondContact N-O 3.18Å; P15-Y21 WeakPolarHBondContact CA-OH 3.09Å; P15-Y21 HydrophobicContact CB-CD2 4.25Å; P15-Y21 HydrophobicContact CB-CE2 3.46Å; P15-Y21 VanDerWaalsContact CB-CE2 3.46Å; P15-Y21 HydrophobicContact CG-CE2 4.29Å; L16-Y21 PolarHBondContact N-OH 3.24Å; D19-Y21 HydrophobicContact CB-CD2 4.2Å; D19-Y21 HydrophobicContact CB-CE1 4.49Å; D19-Y21 HydrophobicContact CB-CE2 3.4Å; D19-Y21 VanDerWaalsContact O-CD2 3.26Å; D19-Y21 WeakPolarHBondContact O-CD2 3.45Å; D19-Y21 VanDerWaalsContact O-CE2 3.3Å; D19-Y21 WeakPolarHBondContact O-CE2 3.35Å; Y21-L33 HydrophobicContact CD1-CB 4.2Å; Y21-L33 HydrophobicContact CD1-CD1 3.83Å; Y21-L33 HydrophobicContact CD1-CD2 4.48Å; Y21-L33 HydrophobicContact CD1-CG 4.41Å; Y21-L33 HydrophobicContact CE1-CB 3.89Å; Y21-L33 HydrophobicContact CE1-CD1 4.38Å; Y21-L33 HydrophobicContact CG-CD1 4.46Å; Y21-S34 PolarHBondContact OH-O 3.18Å; Y21-W35 AromaticContact CD1-CE2 3.79Å; Y21-W35 HydrophobicContact CD1-CH2 4.01Å; Y21-W35 AromaticContact CD1-CZ2 3.34Å; Y21-W35 HydrophobicContact CD1-CZ2 3.34Å; Y21-W35 AromaticContact CE1-CD2 3.91Å; Y21-W35 HydrophobicContact CE1-CD2 3.91Å; Y21-W35 AromaticContact CE1-CE2 3.23Å; Y21-W35 HydrophobicContact CE1-CE3 4.44Å; Y21-W35 AromaticContact CE1-CH2 3.83Å; Y21-W35 HydrophobicContact CE1-CH2 3.83Å; Y21-W35 AromaticContact CE1-CZ2 3.22Å; Y21-W35 HydrophobicContact CE1-CZ2 3.22Å; Y21-W35 HydrophobicContact CE1-CZ3 4.4Å; Y21-W35 AromaticContact CE1-NE1 3.48Å; Y21-W35 AromaticContact CZ-NE1 3.99Å
22	T	85.4	Confident	83.6	Confident	83 Å²	83	84.6 Å²	84.6	51%	0.509	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-118.6	120.8	161.6	-54.8	0	0	0	0	107.8	M1 K2 Q20 V54	M1-T22 CarbonylContact O-C 3.45Å; M1-T22 VanDerWaalsContact O-CA 3.31Å; M1-T22 WeakPolarHBondContact O-CA 3.12Å; K2-T22 HydrophobicContact CB-CG2 4.47Å; Q20-T22 PolarHBondContact O-N 3.48Å; T22-V54 HydrophobicContact CG2-CG2 4.42Å
23	S	85.7	Confident	83.5	Confident	17 Å²	17	82.3 Å²	82.3	12%	0.119	48%	0.475	C	S	.	.			trans	-157.7	163.1	179.8	49.3	0	0	0	0	113	M1 Q20 K31	M1-S23 PolarHBondContact N-O 3.1Å; M1-S23 PolarHBondContact O-N 3.43Å; Q20-S23 PolarHBondContact O-OG 3.29Å; S23-K31 WeakPolarHBondContact OG-CD 3.46Å; S23-K31 WeakPolarHBondContact OG-CE 3.44Å; S23-K31 PolarHBondContact OG-NZ 2.63Å
24	C	85	Confident	83.3	Confident	59 Å²	59	82.9 Å²	82.9	40%	0.399	48%	0.482	S	S	.	.			trans	-66	141.7	168.1	-62.5	0	0	0	0	110.2	C60	C24-C60 VanDerWaalsContact CA-SG 3.53Å; C24-C60 HydrophobicContact CB-CB 3.55Å; C24-C60 WeakPolarHBondContact CB-SG 3.42Å; C24-C60 WeakPolarHBondContact SG-CA 3.32Å; C24-C60 WeakPolarHBondContact SG-CB 3.42Å; C24-C60 CovalentContact SG-SG 2.02Å; C24-C60 PolarHBondContact SG-SG 3.29Å
25	L	85.9	Confident	83.3	Confident	70 Å²	70	82.9 Å²	82.9	37%	0.366	47%	0.472	S	S	.	.			trans	-143.3	111	175.9	-176.9	72	0	0	0	106.9	M1 E29 K31	M1-L25 HydrophobicContact CB-CB 4.38Å; M1-L25 HydrophobicContact CE-CD2 4.25Å; M1-L25 HydrophobicContact SD-CD2 3.78Å; L25-E29 HydrophobicContact CD1-CB 3.85Å; L25-K31 HydrophobicContact CD1-CB 3.98Å
26	C	84.2	Confident	83.5	Confident	36 Å²	36	81.6 Å²	81.6	24%	0.243	46%	0.463	C	S	.	.			trans	-87	170.8	-177.2	-63	0	0	0	0	111.4	N28 E29 E61	C26-N28 PolarHBondContact O-N 2.93Å; C26-E29 HydrophobicContact CB-CG 4Å; C26-E29 WeakPolarHBondContact CB-OE2 3.41Å; C26-E29 PolarHBondContact N-OE2 2.65Å; C26-E29 WeakPolarHBondContact O-CB 3.42Å; C26-E29 PolarHBondContact O-N 3.19Å; C26-E29 VanDerWaalsContact O-N 3.16Å; C26-E61 PolarHBondContact SG-OE2 3.01Å; C26-E61 VanDerWaalsContact SG-OE2 3.37Å
27	A	82.6	Confident	83.8	Confident	91 Å²	91	80.6 Å²	80.6	75%	0.752	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	138.3	178.5	0	0	0	0	0	111.3	E29	A27-E29 PolarHBondContact O-N 3.41Å
28	N	84.9	Confident	84.8	Confident	179 Å²	179	78.8 Å²	78.8	96%	0.957	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	9.3	-175.3	-54.1	-43.4	0	0	0	115.7	C26	C26-N28 PolarHBondContact O-N 2.93Å
29	E	87.6	Confident	85.9	Confident	98 Å²	98	77.4 Å²	77.4	46%	0.458	41%	0.414	S	S	.	.			trans	-89.5	154.1	171.5	-62.1	-167	144.7	0	0	112	L25 C26 A27	L25-E29 HydrophobicContact CD1-CB 3.85Å; C26-E29 HydrophobicContact CB-CG 4Å; C26-E29 WeakPolarHBondContact CB-OE2 3.41Å; C26-E29 PolarHBondContact N-OE2 2.65Å; C26-E29 WeakPolarHBondContact O-CB 3.42Å; C26-E29 PolarHBondContact O-N 3.19Å; C26-E29 VanDerWaalsContact O-N 3.16Å; A27-E29 PolarHBondContact O-N 3.41Å
30	R	88.3	Confident	86.5	Confident	212 Å²	212	79.4 Å²	79.4	80%	0.8	43%	0.428	S	S	*	.			trans	-127.5	129.9	170.6	170.1	-178.2	164.4	-177.3	-3.8	108.5	T32	R30-T32 PolarHBondContact NE-OG1 2.03Å; R30-T32 PolarHBondContact NH2-OG1 3.45Å
31	K	87.1	Confident	86.9	Confident	81 Å²	81	74.6 Å²	74.6	35%	0.352	41%	0.411	S	S	.	.			trans	-109.7	132.5	166.2	-164.2	167.6	-173.1	171.8	0	110.1	M1 S23 L25 L33	M1-K31 HydrophobicContact CE-CB 4.37Å; S23-K31 WeakPolarHBondContact OG-CD 3.46Å; S23-K31 WeakPolarHBondContact OG-CE 3.44Å; S23-K31 PolarHBondContact OG-NZ 2.63Å; L25-K31 HydrophobicContact CD1-CB 3.98Å; K31-L33 HydrophobicContact CD-CD2 4.4Å; K31-L33 HydrophobicContact CG-CD2 4.4Å
32	T	88.1	Confident	87.2	Confident	84 Å²	84	76.6 Å²	76.6	52%	0.515	42%	0.423	S	S	.	.			trans	-106.8	127.2	173.8	-54.6	0	0	0	0	107.5	R30	R30-T32 PolarHBondContact NE-OG1 2.03Å; R30-T32 PolarHBondContact NH2-OG1 3.45Å
33	L	89.1	Confident	87.2	Confident	22 Å²	22	74.1 Å²	74.1	12%	0.115	41%	0.414	C	S	.	.			trans	-118.7	142.7	176.7	-61.9	170.3	0	0	0	107.7	V3 D19 Y21 K31 W35	V3-L33 HydrophobicContact CB-CD1 3.67Å; V3-L33 HydrophobicContact CG1-CD1 4.31Å; V3-L33 HydrophobicContact CG2-CD1 3.54Å; D19-L33 HydrophobicContact CB-CD2 4.12Å; Y21-L33 HydrophobicContact CD1-CB 4.2Å; Y21-L33 HydrophobicContact CD1-CD1 3.83Å; Y21-L33 HydrophobicContact CD1-CD2 4.48Å; Y21-L33 HydrophobicContact CD1-CG 4.41Å; Y21-L33 HydrophobicContact CE1-CB 3.89Å; Y21-L33 HydrophobicContact CE1-CD1 4.38Å; Y21-L33 HydrophobicContact CG-CD1 4.46Å; K31-L33 HydrophobicContact CD-CD2 4.4Å; K31-L33 HydrophobicContact CG-CD2 4.4Å; L33-W35 HydrophobicContact CB-CH2 4.16Å; L33-W35 HydrophobicContact CB-CZ3 4.21Å
34	S	87.5	Confident	87.3	Confident	53 Å²	53	77.4 Å²	77.4	37%	0.371	43%	0.434	S	S	.	.			trans	-127.7	148.2	-174.2	-61.1	0	0	0	0	111	L16 D19 Y21	L16-S34 VanDerWaalsContact CD1-CB 3.48Å; D19-S34 PolarHBondContact OD2-N 2.89Å; Y21-S34 PolarHBondContact OH-O 3.18Å
35	W	89.1	Confident	87.5	Confident	64 Å²	64	74.7 Å²	74.7	24%	0.242	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.4	175.3	-68.9	-97.7	0	0	0	109.6	V3 L13 S14 Y21 L33 V49	V3-W35 HydrophobicContact CB-CH2 4.44Å; V3-W35 HydrophobicContact CG1-CH2 3.61Å; V3-W35 HydrophobicContact CG1-CZ2 4.15Å; L13-W35 HydrophobicContact CB-CB 4.35Å; L13-W35 HydrophobicContact CB-CG 4.39Å; L13-W35 HydrophobicContact CD2-CB 4.13Å; S14-W35 CarbonylContact O-C 3.6Å; S14-W35 WeakPolarHBondContact O-CA 3.37Å; Y21-W35 AromaticContact CD1-CE2 3.79Å; Y21-W35 HydrophobicContact CD1-CH2 4.01Å; Y21-W35 AromaticContact CD1-CZ2 3.34Å; Y21-W35 HydrophobicContact CD1-CZ2 3.34Å; Y21-W35 AromaticContact CE1-CD2 3.91Å; Y21-W35 HydrophobicContact CE1-CD2 3.91Å; Y21-W35 AromaticContact CE1-CE2 3.23Å; Y21-W35 HydrophobicContact CE1-CE3 4.44Å; Y21-W35 AromaticContact CE1-CH2 3.83Å; Y21-W35 HydrophobicContact CE1-CH2 3.83Å; Y21-W35 AromaticContact CE1-CZ2 3.22Å; Y21-W35 HydrophobicContact CE1-CZ2 3.22Å; Y21-W35 HydrophobicContact CE1-CZ3 4.4Å; Y21-W35 AromaticContact CE1-NE1 3.48Å; Y21-W35 AromaticContact CZ-NE1 3.99Å; L33-W35 HydrophobicContact CB-CH2 4.16Å; L33-W35 HydrophobicContact CB-CZ3 4.21Å; W35-V49 HydrophobicContact CH2-CG1 3.91Å; W35-V49 HydrophobicContact CZ3-CG1 4.35Å
36	T	89.3	Confident	87.9	Confident	53 Å²	53	75.6 Å²	75.6	33%	0.325	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.8	162.4	-56.2	0	0	0	0	108	L13 S14 L16	L13-T36 WeakPolarHBondContact CA-O 3.3Å; S14-T36 PolarHBondContact N-O 3.36Å; S14-T36 PolarHBondContact O-N 3.3Å; L16-T36 WeakPolarHBondContact CD2-OG1 3.25Å
37	M	89.7	Confident	88.3	Confident	57 Å²	57	74.7 Å²	74.7	28%	0.281	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.9	177.1	-176.5	177.6	171.7	0	0	110.3	Y11 T12 L13 P39 V45 V47 L80	Y11-M37 HydrophobicContact CD1-CE 4.13Å; Y11-M37 HydrophobicContact CD2-CE 4.4Å; Y11-M37 HydrophobicContact CG-CE 3.84Å; T12-M37 WeakPolarHBondContact O-CA 3.36Å; L13-M37 HydrophobicContact CD2-CB 3.57Å; L13-M37 HydrophobicContact CD2-CG 3.7Å; L13-M37 HydrophobicContact CD2-SD 4.33Å; M37-P39 HydrophobicContact CE-CB 4.49Å; M37-V45 HydrophobicContact CE-CG2 3.76Å; M37-V47 HydrophobicContact CE-CG2 3.74Å; M37-V47 HydrophobicContact SD-CG2 3.97Å; M37-L80 HydrophobicContact CE-CD1 3.85Å; M37-L80 HydrophobicContact SD-CD1 3.38Å; M37-L80 WeakPolarHBondContact SD-CD1 3.46Å
38	N	91.1	Very high	88.8	Confident	95 Å²	95	71.8 Å²	71.8	51%	0.508	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	103.7	171.3	-178.7	16.6	0	0	0	109.7	Y11 T12	Y11-N38 CarbonylContact C-O 3.59Å; Y11-N38 WeakPolarHBondContact CA-O 3.4Å; T12-N38 PolarHBondContact N-O 2.9Å; T12-N38 PolarHBondContact O-N 3.33Å; T12-N38 WeakPolarHBondContact OG1-CB 3.3Å; T12-N38 PolarHBondContact OG1-O 3.39Å
39	P	90.1	Very high	89.2	Confident	51 Å²	51	65.1 Å²	65.1	33%	0.331	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.5	178	29.9	-31.9	0	0	0	111.7	M37 V82	M37-P39 HydrophobicContact CE-CB 4.49Å; P39-V82 HydrophobicContact CB-CB 4.44Å; P39-V82 HydrophobicContact CB-CG1 3.92Å; P39-V82 HydrophobicContact CB-CG2 3.63Å; P39-V82 HydrophobicContact CG-CG1 3.98Å; P39-V82 HydrophobicContact CG-CG2 4.16Å
40	T	87.5	Confident	89.4	Confident	97 Å²	97	61.7 Å²	61.7	60%	0.595	34%	0.339	S	S	*	.			trans	-113.2	-20.1	176.9	48.7	0	0	0	0	112.6	S9 D10	S9-T40 PolarHBondContact O-OG1 2.82Å; D10-T40 PolarHBondContact O-N 3.01Å; D10-T40 PolarHBondContact O-OG1 3.49Å; D10-T40 VanDerWaalsContact O-OG1 3.07Å
41	A	85.9	Confident	89.6	Confident	31 Å²	31	53.2 Å²	53.2	26%	0.256	32%	0.315	S	S	.	.	S	Bend	trans	-110.1	143.1	175.1	0	0	0	0	0	111.6	D10 V82	D10-A41 HydrophobicContact CB-CB 3.88Å; D10-A41 PolarHBondContact O-N 2.94Å; D10-A41 VanDerWaalsContact O-N 3.15Å; A41-V82 WeakPolarHBondContact O-CB 3.5Å
42	L	87.2	Confident	89.8	Confident	75 Å²	75	51.5 Å²	51.5	39%	0.393	31%	0.308	S	S	.	.			trans	-81.1	157.8	172.4	-63.5	177.1	0	0	0	111.1	V82 A84 G119	L42-V82 HydrophobicContact CD2-CG1 3.92Å; L42-A84 HydrophobicContact CD1-CB 3.87Å; L42-A84 HydrophobicContact CD2-CB 4.38Å; L42-G119 WeakPolarHBondContact CD1-O 3.19Å
43	G	85.3	Confident	89.8	Confident	31 Å²	31	48.7 Å²	48.7	32%	0.32	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	97	-154.1	178.9	0	0	0	0	0	113.3	V82	G43-V82 PolarHBondContact N-O 3.47Å; G43-V82 PolarHBondContact O-N 3.35Å
44	V	86.9	Confident	89.7	Confident	87 Å²	87	49 Å²	49	53%	0.527	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.8	-176.9	-178.6	0	0	0	0	109.7	L80	V44-L80 CarbonylContact C-O 3.59Å; V44-L80 WeakPolarHBondContact CA-O 3.44Å
45	V	90.7	Very high	89.5	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131	177	-66.7	0	0	0	0	110.7	D10 Y11 M37 S79 L80 V82	D10-V45 HydrophobicContact CB-CG1 3.82Å; Y11-V45 HydrophobicContact CD1-CB 4.2Å; M37-V45 HydrophobicContact CE-CG2 3.76Å; V45-S79 CarbonylContact O-C 3.53Å; V45-S79 WeakPolarHBondContact O-CA 3.48Å; V45-L80 HydrophobicContact CG2-CB 3.99Å; V45-L80 WeakPolarHBondContact CG2-O 3.25Å; V45-L80 PolarHBondContact N-O 3.06Å; V45-L80 PolarHBondContact O-N 3.13Å; V45-V82 HydrophobicContact CG1-CG2 4.31Å; V45-V82 HydrophobicContact CG2-CG2 3.74Å
46	N	92.9	Very high	88.9	Confident	88 Å²	88	50.9 Å²	50.9	47%	0.471	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.2	-179.8	-72.3	-31.4	0	0	0	110.5	Y11 T77 S79	Y11-N46 WeakPolarHBondContact CE1-O 3.49Å; Y11-N46 PolarHBondContact OH-O 3.1Å; Y11-N46 VanDerWaalsContact OH-O 3.14Å; N46-T77 HydrophobicContact CB-CG2 3.91Å; N46-S79 WeakPolarHBondContact OD1-CB 3.29Å; N46-S79 PolarHBondContact OD1-OG 2.94Å
47	V	92.9	Very high	88	Confident	18 Å²	18	58.4 Å²	58.4	11%	0.109	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.2	177.5	-176.6	0	0	0	0	109.9	Y11 L13 M37 V49 T77 R78 L80	Y11-V47 HydrophobicContact CD1-CG2 4.38Å; Y11-V47 HydrophobicContact CE1-CG2 3.96Å; Y11-V47 HydrophobicContact CE2-CG1 4.45Å; Y11-V47 HydrophobicContact CE2-CG2 4.35Å; Y11-V47 WeakPolarHBondContact OH-CA 3.26Å; L13-V47 HydrophobicContact CD1-CG1 3.91Å; M37-V47 HydrophobicContact CE-CG2 3.74Å; M37-V47 HydrophobicContact SD-CG2 3.97Å; V47-V49 HydrophobicContact CG1-CG2 4.41Å; V47-T77 CarbonylContact O-C 3.57Å; V47-T77 VanDerWaalsContact O-CA 3.3Å; V47-T77 WeakPolarHBondContact O-CA 3.4Å; V47-R78 PolarHBondContact N-O 2.82Å; V47-R78 PolarHBondContact O-N 3.34Å; V47-L80 HydrophobicContact CG2-CD1 3.79Å; V47-L80 HydrophobicContact CG2-CG 4.44Å
48	T	93.1	Very high	87	Confident	30 Å²	30	58.8 Å²	58.8	18%	0.184	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.6	-178.7	-59.4	0	0	0	0	110.5	A6 T75 V76 T77	A6-T48 HydrophobicContact CB-CG2 4.35Å; A6-T48 PolarHBondContact N-O 3.08Å; T48-T75 HydrophobicContact CG2-CG2 3.51Å; T48-V76 WeakPolarHBondContact CA-O 3.36Å; T48-T77 WeakPolarHBondContact OG1-CG2 3.42Å; T48-T77 PolarHBondContact OG1-OG1 3.45Å
49	V	93.6	Very high	85.8	Confident	38 Å²	38	57.7 Å²	57.7	23%	0.23	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.7	177.1	-178.5	0	0	0	0	109.2	V3 A5 W35 V47 T75 V76	V3-V49 HydrophobicContact CG1-CG1 3.65Å; A5-V49 HydrophobicContact CB-CG2 4.33Å; W35-V49 HydrophobicContact CH2-CG1 3.91Å; W35-V49 HydrophobicContact CZ3-CG1 4.35Å; V47-V49 HydrophobicContact CG1-CG2 4.41Å; V49-T75 WeakPolarHBondContact O-CA 3.44Å; V49-V76 PolarHBondContact N-O 2.94Å; V49-V76 PolarHBondContact O-N 3.38Å
50	S	92.9	Very high	84.9	Confident	27 Å²	27	56.4 Å²	56.4	19%	0.189	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.6	178.7	-57.9	0	0	0	0	110.6	V3 S4 D74 T75	V3-S50 CarbonylContact C-O 3.57Å; V3-S50 WeakPolarHBondContact CA-O 3.2Å; V3-S50 WeakPolarHBondContact CG1-O 3.33Å; S4-S50 PolarHBondContact N-O 2.97Å; S4-S50 PolarHBondContact O-N 3.25Å; S50-D74 CarbonylContact C-O 3.6Å; S50-D74 VanDerWaalsContact CA-O 3.27Å; S50-D74 WeakPolarHBondContact CA-O 3.34Å; S50-T75 WeakPolarHBondContact CB-OG1 3.43Å; S50-T75 WeakPolarHBondContact OG-CG2 3.4Å; S50-T75 PolarHBondContact OG-OG1 3.38Å
51	A	92.1	Very high	83.9	Confident	34 Å²	34	58.5 Å²	58.5	28%	0.281	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.6	170.3	0	0	0	0	0	109.3	M1 K2 V3 I73 D74	M1-A51 HydrophobicContact SD-CB 4.38Å; K2-A51 CarbonylContact O-C 3.59Å; K2-A51 WeakPolarHBondContact O-CA 3.37Å; V3-A51 HydrophobicContact CG2-CB 4.08Å; A51-I73 WeakPolarHBondContact O-CA 3.46Å; A51-D74 PolarHBondContact N-O 2.81Å; A51-D74 PolarHBondContact O-N 3.27Å
52	E	91.3	Very high	83.1	Confident	45 Å²	45	64.3 Å²	64.3	21%	0.21	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.2	-176.9	174.9	175.7	-166.4	0	0	111.3	M1 K2 V54 R72 I73	M1-E52 CarbonylContact C-O 3.6Å; M1-E52 VanDerWaalsContact CA-O 3.26Å; M1-E52 WeakPolarHBondContact CA-O 3.43Å; K2-E52 PolarHBondContact N-O 3.42Å; K2-E52 PolarHBondContact O-N 3.26Å; E52-V54 HydrophobicContact CB-CG1 4.37Å; E52-V54 HydrophobicContact CG-CG1 3.75Å; E52-V54 PolarHBondContact O-N 3.05Å; E52-R72 CarbonylContact C-O 3.58Å; E52-R72 WeakPolarHBondContact CA-O 3.41Å; E52-R72 IonicContact OE1-CZ 3.47Å; E52-R72 IonicContact OE1-NE 3.46Å; E52-R72 PolarHBondContact OE1-NE 2.99Å; E52-R72 IonicContact OE1-NH2 2.76Å; E52-R72 PolarHBondContact OE1-NH2 2.76Å; E52-I73 HydrophobicContact CB-CG1 3.98Å; E52-I73 HydrophobicContact CG-CD1 4.22Å; E52-I73 HydrophobicContact CG-CG1 3.73Å
53	A	88.5	Confident	82.4	Confident	24 Å²	24	67.5 Å²	67.5	20%	0.198	39%	0.394	C	S	.	.			trans	-75.6	109.9	161	0	0	0	0	0	109.3	V67 R72	A53-V67 HydrophobicContact CB-CG1 4.26Å; A53-R72 HydrophobicContact CB-CG 4.41Å; A53-R72 PolarHBondContact N-O 3.46Å; A53-R72 PolarHBondContact O-NE 3.38Å
54	V	86.5	Confident	81.8	Confident	29 Å²	29	73.8 Å²	73.8	18%	0.176	42%	0.419	C	S	.	.			trans	-103.1	140.4	179.7	-67.1	0	0	0	0	110.6	K2 T22 E52	K2-V54 HydrophobicContact CB-CG1 3.76Å; K2-V54 HydrophobicContact CB-CG2 3.97Å; K2-V54 HydrophobicContact CD-CG1 4.22Å; T22-V54 HydrophobicContact CG2-CG2 4.42Å; E52-V54 HydrophobicContact CB-CG1 4.37Å; E52-V54 HydrophobicContact CG-CG1 3.75Å; E52-V54 PolarHBondContact O-N 3.05Å
55	P	82.1	Confident	81.3	Confident	97 Å²	97	71.4 Å²	71.4	63%	0.63	40%	0.404	S	S	*	.			trans	-66.5	144.1	173.7	28	-33.1	0	0	0	110.5	V67	P55-V67 HydrophobicContact CB-CG2 4.13Å
56	S	78.2	Confident	80.7	Confident	60 Å²	60	79.5 Å²	79.5	42%	0.42	44%	0.442	S	S	.	.			trans	-144.2	141.1	178.3	174.5	0	0	0	0	110.5	A58	S56-A58 PolarHBondContact OG-N 2.72Å; S56-A58 VanDerWaalsContact OG-N 3.14Å; S56-A58 PolarHBondContact OG-O 3.4Å
57	H	70.1	Confident	80.2	Confident	210 Å²	210	77.6 Å²	77.6	97%	0.972	43%	0.433	S	S	*	.	S	Bend	trans	-82.8	-14.4	172.8	-64.7	-62.2	0	0	0	113
58	A	67.3	Low	79.6	Confident	66 Å²	66	79.4 Å²	79.4	55%	0.545	45%	0.445	S	S	.	.	S	Bend	trans	-82.4	132	172.7	0	0	0	0	0	109.8	S56	S56-A58 PolarHBondContact OG-N 2.72Å; S56-A58 VanDerWaalsContact OG-N 3.14Å; S56-A58 PolarHBondContact OG-O 3.4Å
59	S	66.3	Low	78.9	Confident	72 Å²	72	87.6 Å²	87.6	50%	0.503	48%	0.482	S	S	.	.			trans	-69	136.8	175.3	54	0	0	0	0	111	E63	S59-E63 VanDerWaalsContact CA-O 3.27Å; S59-E63 WeakPolarHBondContact CA-O 3.13Å; S59-E63 WeakPolarHBondContact CB-O 3.34Å
60	C	70.8	Confident	78	Confident	23 Å²	23	96.8 Å²	96.8	16%	0.155	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-91.7	114.6	168	-74.4	0	0	0	0	108	C24 N62 E63 V65	C24-C60 VanDerWaalsContact CA-SG 3.53Å; C24-C60 HydrophobicContact CB-CB 3.55Å; C24-C60 WeakPolarHBondContact CB-SG 3.42Å; C24-C60 WeakPolarHBondContact SG-CA 3.32Å; C24-C60 WeakPolarHBondContact SG-CB 3.42Å; C24-C60 CovalentContact SG-SG 2.02Å; C24-C60 PolarHBondContact SG-SG 3.29Å; C60-N62 PolarHBondContact O-N 2.88Å; C60-N62 VanDerWaalsContact O-N 3.12Å; C60-E63 PolarHBondContact N-O 3.45Å; C60-E63 PolarHBondContact O-N 2.62Å; C60-V65 HydrophobicContact CB-CG2 4.33Å
61	E	67.6	Low	77.2	Confident	142 Å²	142	99 Å²	99	66%	0.664	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.1	180	-56.1	-167.4	149.2	0	0	114.6	C26 E63	C26-E61 PolarHBondContact SG-OE2 3.01Å; C26-E61 VanDerWaalsContact SG-OE2 3.37Å; E61-E63 VanDerWaalsContact C-N 3.29Å; E61-E63 PolarHBondContact O-N 3.19Å
62	N	68.9	Low	76.9	Confident	153 Å²	153	102.6 Å²	102.6	82%	0.818	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	9.4	-175.1	-51.5	-47.4	0	0	0	116	C60	C60-N62 PolarHBondContact O-N 2.88Å; C60-N62 VanDerWaalsContact O-N 3.12Å
63	E	72.3	Confident	76.8	Confident	142 Å²	142	104.8 Å²	104.8	66%	0.664	56%	0.557	S	S	*	*	B	Isolated β-bridge	trans	-102.5	153.2	171.2	-63.5	-170.8	167.8	0	0	112.2	S59 C60 E61	S59-E63 VanDerWaalsContact CA-O 3.27Å; S59-E63 WeakPolarHBondContact CA-O 3.13Å; S59-E63 WeakPolarHBondContact CB-O 3.34Å; C60-E63 PolarHBondContact N-O 3.45Å; C60-E63 PolarHBondContact O-N 2.62Å; E61-E63 VanDerWaalsContact C-N 3.29Å; E61-E63 PolarHBondContact O-N 3.19Å
64	I	71.8	Confident	77	Confident	162 Å²	162	108.6 Å²	108.6	83%	0.831	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-75.4	133.2	175.7	-59.4	172.9	0	0	0	108.2	E66	I64-E66 PolarHBondContact O-N 2.91Å
65	V	77.8	Confident	77.3	Confident	38 Å²	38	110.7 Å²	110.7	23%	0.23	59%	0.587	C	S	.	*	P	Polyproline II helix	trans	-66.1	116.5	176.9	179.3	0	0	0	0	110.2	C60	C60-V65 HydrophobicContact CB-CG2 4.33Å
66	E	77.1	Confident	77.9	Confident	172 Å²	172	109.1 Å²	109.1	80%	0.804	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-91.7	134.9	173.2	-167.5	176.6	175.8	0	0	110.6	I64	I64-E66 PolarHBondContact O-N 2.91Å
67	V	82.6	Confident	78.6	Confident	47 Å²	47	109.8 Å²	109.8	29%	0.285	58%	0.578	S	S	.	*			trans	-111.4	111.9	173.9	-178.5	0	0	0	0	107.8	A53 P55 R72	A53-V67 HydrophobicContact CB-CG1 4.26Å; P55-V67 HydrophobicContact CB-CG2 4.13Å; V67-R72 HydrophobicContact CG1-CG 3.79Å
68	P	81.8	Confident	79.7	Confident	56 Å²	56	108.6 Å²	108.6	36%	0.364	57%	0.565	S	S	.	*			trans	-70.5	143.6	-176.6	28.4	-34.5	0	0	0	111.4	R70 R72	P68-R70 VanDerWaalsContact C-N 3.31Å; P68-R70 PolarHBondContact O-N 3.43Å; P68-R72 WeakPolarHBondContact O-CB 3.42Å
69	E	76.8	Confident	80.9	Confident	203 Å²	203	109.1 Å²	109.1	95%	0.949	56%	0.564	S	S	*	*	S	Bend	trans	-69.4	-28.9	177.2	-67.8	-159.2	152.2	0	0	113
70	R	76	Confident	81.9	Confident	231 Å²	231	109.7 Å²	109.7	87%	0.872	56%	0.561	S	S	*	*	S	Bend	trans	-116.1	138.4	175.8	-72.2	-176.9	177.4	177.5	-0.2	110.2	P68 R72	P68-R70 VanDerWaalsContact C-N 3.31Å; P68-R70 PolarHBondContact O-N 3.43Å; R70-R72 VanDerWaalsContact C-N 3.29Å
71	G	75.5	Confident	82.8	Confident	72 Å²	72	117 Å²	117	74%	0.742	59%	0.585	S	S	*	*	S	Bend	trans	74.7	18.7	-177.9	0	0	0	0	0	114	I73	G71-I73 VanDerWaalsContact C-N 3.27Å; G71-I73 PolarHBondContact O-N 2.85Å
72	R	85.4	Confident	83.9	Confident	111 Å²	111	111.6 Å²	111.6	42%	0.419	56%	0.562	S	S	.	*	S	Bend	trans	-57.2	-40.1	177.8	-178.1	-179.9	162.6	-167	-9.9	112.9	E52 A53 V67 P68 R70	E52-R72 CarbonylContact C-O 3.58Å; E52-R72 WeakPolarHBondContact CA-O 3.41Å; E52-R72 IonicContact OE1-CZ 3.47Å; E52-R72 IonicContact OE1-NE 3.46Å; E52-R72 PolarHBondContact OE1-NE 2.99Å; E52-R72 IonicContact OE1-NH2 2.76Å; E52-R72 PolarHBondContact OE1-NH2 2.76Å; A53-R72 HydrophobicContact CB-CG 4.41Å; A53-R72 PolarHBondContact N-O 3.46Å; A53-R72 PolarHBondContact O-NE 3.38Å; V67-R72 HydrophobicContact CG1-CG 3.79Å; P68-R72 WeakPolarHBondContact O-CB 3.42Å; R70-R72 VanDerWaalsContact C-N 3.29Å
73	I	89.8	Confident	84.8	Confident	91 Å²	91	108.9 Å²	108.9	47%	0.467	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.2	179.8	-56.6	177	0	0	0	107.4	A51 E52 G71	A51-I73 WeakPolarHBondContact O-CA 3.46Å; E52-I73 HydrophobicContact CB-CG1 3.98Å; E52-I73 HydrophobicContact CG-CD1 4.22Å; E52-I73 HydrophobicContact CG-CG1 3.73Å; G71-I73 VanDerWaalsContact C-N 3.27Å; G71-I73 PolarHBondContact O-N 2.85Å
74	D	91.6	Very high	85.6	Confident	104 Å²	104	103 Å²	103	56%	0.556	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.4	166.3	-172.8	26.7	0	0	0	109.1	S50 A51	S50-D74 CarbonylContact C-O 3.6Å; S50-D74 VanDerWaalsContact CA-O 3.27Å; S50-D74 WeakPolarHBondContact CA-O 3.34Å; A51-D74 PolarHBondContact N-O 2.81Å; A51-D74 PolarHBondContact O-N 3.27Å
75	T	93.5	Very high	86.3	Confident	72 Å²	72	99.1 Å²	99.1	44%	0.442	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.6	-178.9	-63	0	0	0	0	109.5	T48 V49 S50	T48-T75 HydrophobicContact CG2-CG2 3.51Å; V49-T75 WeakPolarHBondContact O-CA 3.44Å; S50-T75 WeakPolarHBondContact CB-OG1 3.43Å; S50-T75 WeakPolarHBondContact OG-CG2 3.4Å; S50-T75 PolarHBondContact OG-OG1 3.38Å
76	V	94.7	Very high	86.7	Confident	65 Å²	65	98.1 Å²	98.1	39%	0.394	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.5	-177.6	-179.7	0	0	0	0	108.8	T48 V49 R78	T48-V76 WeakPolarHBondContact CA-O 3.36Å; V49-V76 PolarHBondContact N-O 2.94Å; V49-V76 PolarHBondContact O-N 3.38Å; V76-R78 HydrophobicContact CG1-CG 4.07Å
77	T	93.8	Very high	87	Confident	74 Å²	74	90.1 Å²	90.1	45%	0.454	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.1	169.7	-57	0	0	0	0	109.5	N46 V47 T48	N46-T77 HydrophobicContact CB-CG2 3.91Å; V47-T77 CarbonylContact O-C 3.57Å; V47-T77 VanDerWaalsContact O-CA 3.3Å; V47-T77 WeakPolarHBondContact O-CA 3.4Å; T48-T77 WeakPolarHBondContact OG1-CG2 3.42Å; T48-T77 PolarHBondContact OG1-OG1 3.45Å
78	R	93.2	Very high	87.2	Confident	185 Å²	185	92 Å²	92	70%	0.698	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	137.8	174.6	-68.8	-65.9	-175.3	166.5	-1.1	109.7	V47 V76	V47-R78 PolarHBondContact N-O 2.82Å; V47-R78 PolarHBondContact O-N 3.34Å; V76-R78 HydrophobicContact CG1-CG 4.07Å
79	S	91.1	Very high	87.3	Confident	77 Å²	77	91.9 Å²	91.9	54%	0.538	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.6	176.3	-51.5	0	0	0	0	110.3	V45 N46	V45-S79 CarbonylContact O-C 3.53Å; V45-S79 WeakPolarHBondContact O-CA 3.48Å; N46-S79 WeakPolarHBondContact OD1-CB 3.29Å; N46-S79 PolarHBondContact OD1-OG 2.94Å
80	L	88.7	Confident	87.7	Confident	83 Å²	83	85 Å²	85	44%	0.435	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.6	172.6	-67.2	172	0	0	0	109.3	M37 V44 V45 V47	M37-L80 HydrophobicContact CE-CD1 3.85Å; M37-L80 HydrophobicContact SD-CD1 3.38Å; M37-L80 WeakPolarHBondContact SD-CD1 3.46Å; V44-L80 CarbonylContact C-O 3.59Å; V44-L80 WeakPolarHBondContact CA-O 3.44Å; V45-L80 HydrophobicContact CG2-CB 3.99Å; V45-L80 WeakPolarHBondContact CG2-O 3.25Å; V45-L80 PolarHBondContact N-O 3.06Å; V45-L80 PolarHBondContact O-N 3.13Å; V47-L80 HydrophobicContact CG2-CD1 3.79Å; V47-L80 HydrophobicContact CG2-CG 4.44Å
81	R	89.6	Confident	88.2	Confident	177 Å²	177	79.1 Å²	79.1	67%	0.668	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.5	177.4	-177.9	-178.1	-65.6	-88.6	-2.5	109.1	E83	R81-E83 WeakPolarHBondContact CD-OE1 3.49Å; R81-E83 HydrophobicContact CG-CG 3.96Å
82	V	89.7	Confident	88.9	Confident	28 Å²	28	77.8 Å²	77.8	17%	0.17	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.8	174	-171.6	0	0	0	0	107.7	P39 A41 L42 G43 V45	P39-V82 HydrophobicContact CB-CB 4.44Å; P39-V82 HydrophobicContact CB-CG1 3.92Å; P39-V82 HydrophobicContact CB-CG2 3.63Å; P39-V82 HydrophobicContact CG-CG1 3.98Å; P39-V82 HydrophobicContact CG-CG2 4.16Å; A41-V82 WeakPolarHBondContact O-CB 3.5Å; L42-V82 HydrophobicContact CD2-CG1 3.92Å; G43-V82 PolarHBondContact N-O 3.47Å; G43-V82 PolarHBondContact O-N 3.35Å; V45-V82 HydrophobicContact CG1-CG2 4.31Å; V45-V82 HydrophobicContact CG2-CG2 3.74Å
83	E	88.5	Confident	89.1	Confident	97 Å²	97	74.9 Å²	74.9	45%	0.453	38%	0.379	S	S	.	.			trans	-110.6	149.1	-177.7	-59.5	-170.1	162.9	0	0	110.9	R81 K537	R81-E83 WeakPolarHBondContact CD-OE1 3.49Å; R81-E83 HydrophobicContact CG-CG 3.96Å; E83-K537 IonicContact OE2-NZ 2.71Å; E83-K537 PolarHBondContact OE2-NZ 3.17Å
84	A	89	Confident	89.2	Confident	19 Å²	19	70.9 Å²	70.9	16%	0.157	36%	0.358	C	S	.	.			trans	-71.5	152.5	171.8	0	0	0	0	0	110.6	L42 I117 N485	L42-A84 HydrophobicContact CD1-CB 3.87Å; L42-A84 HydrophobicContact CD2-CB 4.38Å; A84-I117 HydrophobicContact CB-CG2 4.35Å; A84-N485 HydrophobicContact CB-CB 4.07Å; A84-N485 PolarHBondContact O-ND2 2.93Å
85	E	86.8	Confident	89.2	Confident	80 Å²	80	67.7 Å²	67.7	37%	0.374	34%	0.339	S	S	.	.	S	Bend	trans	-71.1	176.7	171.2	65.5	-165.8	145.4	0	0	111.9	I117 N485 K597	E85-I117 VanDerWaalsContact C-CD1 3.45Å; E85-I117 HydrophobicContact CB-CD1 4.5Å; E85-I117 HydrophobicContact CG-CD1 3.67Å; E85-I117 HydrophobicContact CG-CG1 4.42Å; E85-I117 HydrophobicContact CG-CG2 4.27Å; E85-I117 WeakPolarHBondContact O-CD1 3.44Å; E85-N485 VanDerWaalsContact O-CB 3.31Å; E85-N485 WeakPolarHBondContact O-CB 3.43Å; E85-N485 PolarHBondContact O-ND2 2.96Å; E85-K597 IonicContact OE1-NZ 3.42Å; E85-K597 PolarHBondContact OE1-NZ 3.23Å; E85-K597 VanDerWaalsContact OE2-CD 3.27Å; E85-K597 WeakPolarHBondContact OE2-CD 3.31Å; E85-K597 WeakPolarHBondContact OE2-CE 3.41Å; E85-K597 IonicContact OE2-NZ 2.63Å; E85-K597 PolarHBondContact OE2-NZ 2.87Å
86	G	86.7	Confident	89	Confident	17 Å²	17	65.7 Å²	65.7	18%	0.175	33%	0.325	C	S	.	.	S	Bend	trans	68.4	-154.2	177.4	0	0	0	0	0	115	I486	G86-I486 WeakPolarHBondContact CA-O 3.4Å
87	S	83.3	Confident	88.7	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.8	-169.8	-50.6	0	0	0	0	111.1	N485 I486 T488 E614	S87-N485 VanDerWaalsContact O-CA 3.32Å; S87-N485 WeakPolarHBondContact O-CA 3.49Å; S87-I486 PolarHBondContact N-O 3.39Å; S87-I486 PolarHBondContact O-N 3.29Å; S87-T488 WeakPolarHBondContact OG-CA 3.35Å; S87-T488 PolarHBondContact OG-OG1 2.78Å; S87-E614 VanDerWaalsContact CB-OE2 3.25Å; S87-E614 WeakPolarHBondContact CB-OE2 3.27Å; S87-E614 PolarHBondContact OG-OE2 2.87Å
88	E	85	Confident	88.5	Confident	87 Å²	87	62 Å²	62	41%	0.407	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.2	175	-174	-179.6	-111	0	0	111.2	I90 R122	E88-I90 HydrophobicContact CG-CG1 4.48Å; E88-R122 IonicContact OE1-CZ 2.97Å; E88-R122 IonicContact OE1-NH2 3.61Å; E88-R122 PolarHBondContact OE1-NH2 3.24Å
89	I	84.4	Confident	88.1	Confident	53 Å²	53	53.3 Å²	53.3	27%	0.272	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.6	173.6	-61.5	-61.8	0	0	0	108.9	K91 Q483 F484 I486	I89-K91 HydrophobicContact CG2-CG 4.23Å; I89-Q483 VanDerWaalsContact O-CA 3.25Å; I89-Q483 WeakPolarHBondContact O-CA 3.33Å; I89-F484 HydrophobicContact CB-CD2 4.29Å; I89-F484 HydrophobicContact CB-CE2 3.84Å; I89-F484 HydrophobicContact CB-CZ 3.96Å; I89-F484 HydrophobicContact CG1-CE2 4.26Å; I89-F484 HydrophobicContact CG2-CE1 4.24Å; I89-F484 HydrophobicContact CG2-CE2 4.14Å; I89-F484 HydrophobicContact CG2-CZ 3.75Å; I89-F484 PolarHBondContact N-O 3.18Å; I89-F484 PolarHBondContact O-N 2.92Å; I89-I486 HydrophobicContact CD1-CD1 4.18Å; I89-I486 HydrophobicContact CG1-CD1 3.48Å; I89-I486 VanDerWaalsContact CG1-CD1 3.48Å; I89-I486 HydrophobicContact CG1-CG1 3.8Å
90	I	85.8	Confident	87.6	Confident	60 Å²	60	55.7 Å²	55.7	31%	0.308	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.1	174.7	-57.5	175.5	0	0	0	108.2	E88 T92 Q483	E88-I90 HydrophobicContact CG-CG1 4.48Å; I90-T92 HydrophobicContact CG2-CG2 4.28Å; I90-Q483 HydrophobicContact CB-CG 4.44Å; I90-Q483 HydrophobicContact CG1-CB 4.15Å; I90-Q483 HydrophobicContact CG1-CG 3.94Å; I90-Q483 HydrophobicContact CG2-CG 4.14Å
91	K	87.2	Confident	87.1	Confident	107 Å²	107	54.5 Å²	54.5	47%	0.465	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.9	171.5	-69.4	-179.4	-178.9	179.2	0	109	I89 S481 H482	I89-K91 HydrophobicContact CG2-CG 4.23Å; K91-S481 CarbonylContact O-C 3.59Å; K91-S481 VanDerWaalsContact O-CA 3.32Å; K91-S481 WeakPolarHBondContact O-CA 3.33Å; K91-H482 VanDerWaalsContact CB-CE1 3.45Å; K91-H482 WeakPolarHBondContact CB-CE1 3.33Å; K91-H482 WeakPolarHBondContact CB-NE2 3.23Å; K91-H482 VanDerWaalsContact CD-NE2 3.26Å; K91-H482 WeakPolarHBondContact CD-NE2 3.26Å; K91-H482 PolarHBondContact N-O 3.12Å; K91-H482 PolarHBondContact O-N 3.25Å
92	T	88.6	Confident	87	Confident	44 Å²	44	53 Å²	53	27%	0.27	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.2	-172.6	49.2	0	0	0	0	111.2	I90 Y400 Q479 I480	I90-T92 HydrophobicContact CG2-CG2 4.28Å; T92-Y400 HydrophobicContact CG2-CD2 4.47Å; T92-Q479 HydrophobicContact CG2-CG 4.35Å; T92-I480 WeakPolarHBondContact CA-O 3.15Å
93	Q	90.8	Very high	87.1	Confident	50 Å²	50	54.9 Å²	54.9	23%	0.234	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.2	168.8	-65.2	167.4	-21.6	0	0	107.6	W95 T108 Q479 I480	Q93-W95 HydrophobicContact CB-CH2 3.32Å; Q93-W95 HydrophobicContact CB-CZ2 4Å; Q93-W95 HydrophobicContact CB-CZ3 3.74Å; Q93-W95 HydrophobicContact CG-CH2 4.38Å; Q93-W95 VanDerWaalsContact O-CZ3 3.3Å; Q93-W95 WeakPolarHBondContact O-CZ3 3.24Å; Q93-T108 PolarHBondContact NE2-OG1 3.5Å; Q93-T108 PolarHBondContact OE1-OG1 3.04Å; Q93-Q479 CarbonylContact O-C 3.58Å; Q93-Q479 VanDerWaalsContact O-CA 3.27Å; Q93-Q479 WeakPolarHBondContact O-CA 3.02Å; Q93-I480 PolarHBondContact N-O 3.37Å; Q93-I480 PolarHBondContact O-N 3.24Å
94	N	91.1	Very high	87.2	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.7	-173.1	-46.4	-37.7	0	0	0	110.4	T395 Q398 V478 Q479	N94-T395 HydrophobicContact CB-CG2 4.35Å; N94-T395 WeakPolarHBondContact CB-O 3.49Å; N94-T395 PolarHBondContact ND2-O 2.61Å; N94-Q398 PolarHBondContact ND2-O 2.95Å; N94-V478 CarbonylContact C-O 3.57Å; N94-V478 WeakPolarHBondContact CA-O 3.46Å; N94-Q479 WeakPolarHBondContact OD1-CG 3.49Å; N94-Q479 PolarHBondContact OD1-NE2 3.1Å
95	W	90.9	Very high	87.4	Confident	37 Å²	37	56.3 Å²	56.3	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.5	173.3	-60.3	-94.7	0	0	0	110.6	Q93 L97 E106 T108 L468 S477 V478 I480	Q93-W95 HydrophobicContact CB-CH2 3.32Å; Q93-W95 HydrophobicContact CB-CZ2 4Å; Q93-W95 HydrophobicContact CB-CZ3 3.74Å; Q93-W95 HydrophobicContact CG-CH2 4.38Å; Q93-W95 VanDerWaalsContact O-CZ3 3.3Å; Q93-W95 WeakPolarHBondContact O-CZ3 3.24Å; W95-L97 HydrophobicContact CB-CD1 4.41Å; W95-L97 HydrophobicContact CB-CG 4.15Å; W95-E106 HydrophobicContact CG-CG 4.35Å; W95-E106 PolarHBondContact NE1-OE2 2.89Å; W95-T108 HydrophobicContact CH2-CG2 3.74Å; W95-T108 HydrophobicContact CZ2-CG2 4.14Å; W95-L468 HydrophobicContact CB-CD2 4.32Å; W95-L468 HydrophobicContact CD2-CD2 4.26Å; W95-L468 HydrophobicContact CE3-CD2 4.26Å; W95-L468 HydrophobicContact CG-CD2 4.3Å; W95-S477 WeakPolarHBondContact O-CA 3.36Å; W95-V478 PolarHBondContact N-O 3.43Å; W95-V478 PolarHBondContact O-N 2.87Å; W95-I480 HydrophobicContact CH2-CD1 4.19Å; W95-I480 HydrophobicContact CZ3-CB 4.21Å; W95-I480 HydrophobicContact CZ3-CD1 3.97Å; W95-I480 HydrophobicContact CZ3-CG1 3.93Å
96	L	89.9	Confident	87.6	Confident	29 Å²	29	55.9 Å²	55.9	15%	0.152	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	111.9	165	179.9	68.7	0	0	0	107.5	I131 V391 T395 V476	L96-I131 HydrophobicContact CD1-CB 4.4Å; L96-I131 HydrophobicContact CD2-CD1 4.12Å; L96-V391 HydrophobicContact CD2-CG1 3.87Å; L96-T395 HydrophobicContact CB-CG2 4.17Å; L96-V476 WeakPolarHBondContact CA-O 3.34Å
97	L	89.5	Confident	87.9	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.063	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	-175.5	-62.2	176.1	0	0	0	109.3	W95 P99 L104 E106 L468 V470 C475 V476	W95-L97 HydrophobicContact CB-CD1 4.41Å; W95-L97 HydrophobicContact CB-CG 4.15Å; L97-P99 WeakPolarHBondContact O-CD 3.48Å; L97-L104 HydrophobicContact CB-CD1 4.09Å; L97-L104 HydrophobicContact CD2-CB 4.4Å; L97-L104 HydrophobicContact CD2-CD1 4.25Å; L97-E106 HydrophobicContact CD1-CG 4.25Å; L97-E106 HydrophobicContact CD2-CG 4.03Å; L97-L468 HydrophobicContact CD1-CD2 3.48Å; L97-L468 VanDerWaalsContact CD1-CD2 3.48Å; L97-L468 HydrophobicContact CD1-CG 3.97Å; L97-V470 HydrophobicContact CB-CB 4.46Å; L97-V470 HydrophobicContact CB-CG2 4.12Å; L97-V470 HydrophobicContact CD1-CB 4.34Å; L97-V470 HydrophobicContact CD1-CG2 3.45Å; L97-V470 VanDerWaalsContact CD1-CG2 3.45Å; L97-V470 HydrophobicContact CG-CG2 4.43Å; L97-C475 CarbonylContact O-C 3.47Å; L97-C475 WeakPolarHBondContact O-CA 3.48Å; L97-V476 HydrophobicContact CB-CG2 4.1Å; L97-V476 PolarHBondContact N-O 2.03Å; L97-V476 PolarHBondContact O-N 2.9Å
98	C	88	Confident	88.2	Confident	51 Å²	51	63.1 Å²	63.1	35%	0.345	34%	0.342	S	S	.	.			trans	-117.6	80.7	178.7	-64.5	0	0	0	0	108.7	T100 C475	C98-T100 PolarHBondContact O-N 3.12Å; C98-C475 HydrophobicContact CB-CB 4.09Å; C98-C475 WeakPolarHBondContact CB-SG 3.36Å; C98-C475 WeakPolarHBondContact SG-CB 3.38Å; C98-C475 CovalentContact SG-SG 2.03Å; C98-C475 PolarHBondContact SG-SG 3Å
99	P	85.3	Confident	88.5	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	34%	0.343	C	S	.	.			trans	-61.4	121.9	175.1	30.3	-39.1	0	0	0	108.5	L97 G101 E102 L104 S431 V470 G472 T473 G474	L97-P99 WeakPolarHBondContact O-CD 3.48Å; P99-G101 VanDerWaalsContact C-N 3.26Å; P99-G101 PolarHBondContact O-N 3.43Å; P99-E102 WeakPolarHBondContact CB-O 3.48Å; P99-L104 HydrophobicContact CB-CD1 4.36Å; P99-L104 HydrophobicContact CB-CG 4.36Å; P99-S431 WeakPolarHBondContact CG-OG 3.46Å; P99-V470 HydrophobicContact CG-CG1 3.78Å; P99-G472 CarbonylContact C-O 3.48Å; P99-G472 WeakPolarHBondContact CB-O 3.12Å; P99-G472 VanDerWaalsContact O-O 3.06Å; P99-T473 CarbonylContact O-C 3.3Å; P99-T473 WeakPolarHBondContact O-CA 3.31Å; P99-G474 WeakPolarHBondContact CD-O 3.35Å
100	T	82	Confident	88.7	Confident	128 Å²	128	60.9 Å²	60.9	79%	0.785	33%	0.33	S	S	*	.	S	Bend	trans	-97.3	50.9	172.7	52	0	0	0	0	109.5	C98 E102	C98-T100 PolarHBondContact O-N 3.12Å; T100-E102 VanDerWaalsContact C-N 3.3Å; T100-E102 PolarHBondContact O-N 3.47Å
101	G	76.4	Confident	88.7	Confident	57 Å²	57	64.2 Å²	64.2	59%	0.588	35%	0.345	S	S	*	.	S	Bend	trans	87.8	-20.1	-173.3	0	0	0	0	0	114.9	P99 G472	P99-G101 VanDerWaalsContact C-N 3.26Å; P99-G101 PolarHBondContact O-N 3.43Å; G101-G472 WeakPolarHBondContact CA-O 3.27Å; G101-G472 PolarHBondContact N-O 2.91Å; G101-G472 VanDerWaalsContact N-O 3.08Å
102	E	87.6	Confident	88.6	Confident	147 Å²	147	61.9 Å²	61.9	69%	0.687	34%	0.337	S	S	*	.	S	Bend	trans	-86.3	148.5	171.6	-66.5	-174.3	173.9	0	0	111.6	P99 T100	P99-E102 WeakPolarHBondContact CB-O 3.48Å; T100-E102 VanDerWaalsContact C-N 3.3Å; T100-E102 PolarHBondContact O-N 3.47Å
103	T	91.4	Very high	88.5	Confident	66 Å²	66	61.9 Å²	61.9	41%	0.405	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-77.5	124.4	176.5	-57.2	0	0	0	0	109.5	T105 E469 V470 K471	T103-T105 HydrophobicContact CG2-CG2 4.33Å; T103-E469 HydrophobicContact CG2-CG 3.44Å; T103-E469 VanDerWaalsContact CG2-CG 3.44Å; T103-E469 WeakPolarHBondContact CG2-OE1 3.42Å; T103-V470 WeakPolarHBondContact CA-O 3.31Å; T103-K471 HydrophobicContact CG2-CG 3.82Å; T103-K471 WeakPolarHBondContact OG1-CE 3.38Å; T103-K471 WeakPolarHBondContact OG1-CG 3.34Å
104	L	92.2	Very high	88.3	Confident	56 Å²	56	69.4 Å²	69.4	29%	0.293	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.8	174.6	-61.3	178.8	0	0	0	109.7	L97 P99 E469 V470	L97-L104 HydrophobicContact CB-CD1 4.09Å; L97-L104 HydrophobicContact CD2-CB 4.4Å; L97-L104 HydrophobicContact CD2-CD1 4.25Å; P99-L104 HydrophobicContact CB-CD1 4.36Å; P99-L104 HydrophobicContact CB-CG 4.36Å; L104-E469 WeakPolarHBondContact O-CA 3.49Å; L104-V470 PolarHBondContact N-O 3.23Å; L104-V470 PolarHBondContact O-N 2.88Å
105	T	92.3	Very high	88.3	Confident	90 Å²	90	72.2 Å²	72.2	55%	0.552	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.8	179.3	56.3	0	0	0	0	111.8	T103 L468 E469	T103-T105 HydrophobicContact CG2-CG2 4.33Å; T105-L468 CarbonylContact C-O 3.58Å; T105-L468 WeakPolarHBondContact CA-O 3.25Å; T105-E469 HydrophobicContact CG2-CB 4.37Å; T105-E469 HydrophobicContact CG2-CG 4.14Å
106	E	92.3	Very high	88.2	Confident	72 Å²	72	71.8 Å²	71.8	34%	0.336	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.7	176	-73.4	-70.8	160.3	0	0	109.4	W95 L97 L468	W95-E106 HydrophobicContact CG-CG 4.35Å; W95-E106 PolarHBondContact NE1-OE2 2.89Å; L97-E106 HydrophobicContact CD1-CG 4.25Å; L97-E106 HydrophobicContact CD2-CG 4.03Å; E106-L468 HydrophobicContact CB-CB 4.23Å; E106-L468 HydrophobicContact CB-CD2 4.3Å; E106-L468 PolarHBondContact N-O 3.19Å; E106-L468 PolarHBondContact O-N 3.39Å
107	E	91.7	Very high	88.2	Confident	148 Å²	148	71.7 Å²	71.7	69%	0.692	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.4	177.8	-66.9	-167.7	161.8	0	0	110.9	Y466	E107-Y466 WeakPolarHBondContact CA-O 3.26Å
108	T	90.8	Very high	88	Confident	23 Å²	23	78.3 Å²	78.3	14%	0.141	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.1	175.1	-169.3	0	0	0	0	110.9	Q93 W95 K465 Y466 I480	Q93-T108 PolarHBondContact NE2-OG1 3.5Å; Q93-T108 PolarHBondContact OE1-OG1 3.04Å; W95-T108 HydrophobicContact CH2-CG2 3.74Å; W95-T108 HydrophobicContact CZ2-CG2 4.14Å; T108-K465 WeakPolarHBondContact O-CA 3.48Å; T108-Y466 PolarHBondContact N-O 2.86Å; T108-Y466 PolarHBondContact O-N 2.91Å; T108-I480 HydrophobicContact CG2-CD1 4.11Å
109	E	90.1	Very high	87.9	Confident	91 Å²	91	78.8 Å²	78.8	43%	0.425	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.8	173.2	-167.5	171.5	-129.3	0	0	109.8	Q111 G464 K465	E109-Q111 HydrophobicContact CG-CG 4.14Å; E109-Q111 PolarHBondContact OE2-NE2 2.97Å; E109-G464 WeakPolarHBondContact CA-O 3.24Å; E109-K465 HydrophobicContact CG-CG 4.3Å
110	V	87.9	Confident	88	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.012	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.6	173.8	173.8	0	0	0	0	107.6	V123 A463 G464 Y466 I480 H482	V110-V123 HydrophobicContact CG1-CG2 4.37Å; V110-A463 WeakPolarHBondContact O-CA 3.29Å; V110-A463 WeakPolarHBondContact O-CB 3.15Å; V110-G464 PolarHBondContact N-O 2.75Å; V110-G464 PolarHBondContact O-N 2.77Å; V110-Y466 HydrophobicContact CB-CD2 4.24Å; V110-Y466 HydrophobicContact CB-CE2 3.88Å; V110-Y466 HydrophobicContact CG2-CD2 3.71Å; V110-Y466 HydrophobicContact CG2-CE2 3.62Å; V110-I480 HydrophobicContact CG2-CG2 4.29Å; V110-H482 HydrophobicContact CG1-CB 3.85Å
111	Q	86.8	Confident	88.4	Confident	130 Å²	130	73.7 Å²	73.7	61%	0.607	41%	0.408	S	S	*	.			trans	-114.7	131.8	179.3	-61.5	-178	-1.3	0	0	109.9	E109	E109-Q111 HydrophobicContact CG-CG 4.14Å; E109-Q111 PolarHBondContact OE2-NE2 2.97Å
112	L	85.8	Confident	88.9	Confident	58 Å²	58	75.3 Å²	75.3	30%	0.304	40%	0.396	S	S	.	.			trans	-97.2	135.5	174.1	-66.2	174.4	0	0	0	109.3	V116 A121 A463 F484	L112-V116 HydrophobicContact CB-CG2 4.19Å; L112-V116 HydrophobicContact CD2-CG2 4.48Å; L112-A121 HydrophobicContact CD1-CB 3.78Å; L112-A121 HydrophobicContact CD2-CB 4.02Å; L112-A463 HydrophobicContact CD1-CB 4.12Å; L112-A463 HydrophobicContact CG-CB 4.1Å; L112-F484 HydrophobicContact CD2-CB 4.3Å; L112-F484 HydrophobicContact CD2-CD1 3.85Å; L112-F484 HydrophobicContact CD2-CE1 4.5Å; L112-F484 HydrophobicContact CD2-CG 4.19Å
113	P	86.7	Confident	89.1	Confident	45 Å²	45	68.5 Å²	68.5	29%	0.292	37%	0.365	S	S	.	.			trans	-67.2	158.8	174.6	24.8	-28.4	0	0	0	111.6	N115 V116 F484 I486	P113-N115 PolarHBondContact O-N 2.64Å; P113-V116 VanDerWaalsContact CD-CG2 3.46Å; P113-V116 HydrophobicContact CG-CG2 3.61Å; P113-V116 VanDerWaalsContact O-CG2 3.32Å; P113-V116 WeakPolarHBondContact O-CG2 3.31Å; P113-V116 PolarHBondContact O-N 2.93Å; P113-F484 HydrophobicContact CG-CD2 4.31Å; P113-F484 HydrophobicContact CG-CE2 3.56Å; P113-F484 HydrophobicContact CG-CZ 3.82Å; P113-I486 HydrophobicContact CG-CG2 4.14Å
114	E	86.5	Confident	89	Confident	207 Å²	207	65.7 Å²	65.7	97%	0.967	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.8	-176.2	-66.1	-175.5	169	0	0	113.6
115	N	89.3	Confident	89	Confident	66 Å²	66	63 Å²	63	35%	0.353	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	22.3	-176.9	69.5	-37.2	0	0	0	113.5	P113 P487	P113-N115 PolarHBondContact O-N 2.64Å; N115-P487 WeakPolarHBondContact O-CD 3.5Å
116	V	90	Very high	89.1	Confident	28 Å²	28	58.8 Å²	58.8	17%	0.17	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.8	140.9	174.8	169.1	0	0	0	0	110.7	L112 P113 A121 F484 N485 I486	L112-V116 HydrophobicContact CB-CG2 4.19Å; L112-V116 HydrophobicContact CD2-CG2 4.48Å; P113-V116 VanDerWaalsContact CD-CG2 3.46Å; P113-V116 HydrophobicContact CG-CG2 3.61Å; P113-V116 VanDerWaalsContact O-CG2 3.32Å; P113-V116 WeakPolarHBondContact O-CG2 3.31Å; P113-V116 PolarHBondContact O-N 2.93Å; V116-A121 HydrophobicContact CG1-CB 4.46Å; V116-F484 HydrophobicContact CG1-CB 4.12Å; V116-F484 HydrophobicContact CG2-CB 4.29Å; V116-F484 HydrophobicContact CG2-CD2 3.65Å; V116-F484 HydrophobicContact CG2-CE2 4.19Å; V116-F484 HydrophobicContact CG2-CG 4.06Å; V116-N485 WeakPolarHBondContact CA-O 3Å; V116-I486 HydrophobicContact CG2-CG2 4.23Å
117	I	89.3	Confident	89.1	Confident	27 Å²	27	55.3 Å²	55.3	14%	0.138	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-74.1	125.7	172.6	-68.1	167.4	0	0	0	109	A84 E85 G119 S120 N485	A84-I117 HydrophobicContact CB-CG2 4.35Å; E85-I117 VanDerWaalsContact C-CD1 3.45Å; E85-I117 HydrophobicContact CB-CD1 4.5Å; E85-I117 HydrophobicContact CG-CD1 3.67Å; E85-I117 HydrophobicContact CG-CG1 4.42Å; E85-I117 HydrophobicContact CG-CG2 4.27Å; E85-I117 WeakPolarHBondContact O-CD1 3.44Å; I117-G119 PolarHBondContact O-N 2.76Å; I117-S120 VanDerWaalsContact O-CB 3.25Å; I117-S120 WeakPolarHBondContact O-CB 3.36Å; I117-S120 PolarHBondContact O-N 3.12Å; I117-S120 PolarHBondContact O-OG 2.83Å; I117-N485 HydrophobicContact CB-CB 4.2Å; I117-N485 HydrophobicContact CD1-CB 3.85Å; I117-N485 HydrophobicContact CG1-CB 4.46Å; I117-N485 PolarHBondContact N-O 2.84Å
118	D	86.3	Confident	89.1	Confident	151 Å²	151	48.3 Å²	48.3	81%	0.807	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	133.8	-175.5	-70.5	-28.7	0	0	0	112.4	S120	D118-S120 PolarHBondContact O-N 3.16Å
119	G	84.2	Confident	89	Confident	61 Å²	61	47.3 Å²	47.3	63%	0.629	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-7.6	-179.4	0	0	0	0	0	115.6	L42 I117 A121	L42-G119 WeakPolarHBondContact CD1-O 3.19Å; I117-G119 PolarHBondContact O-N 2.76Å; G119-A121 VanDerWaalsContact C-N 3.33Å
120	S	88.4	Confident	88.7	Confident	11 Å²	11	43.3 Å²	43.3	8%	0.077	24%	0.235	C	C	.	.			trans	-75.4	-21.8	179.2	70.7	0	0	0	0	113.6	I117 D118 R122 N485	I117-S120 VanDerWaalsContact O-CB 3.25Å; I117-S120 WeakPolarHBondContact O-CB 3.36Å; I117-S120 PolarHBondContact O-N 3.12Å; I117-S120 PolarHBondContact O-OG 2.83Å; D118-S120 PolarHBondContact O-N 3.16Å; S120-R122 PolarHBondContact O-N 3.15Å; S120-N485 PolarHBondContact OG-N 2.88Å
121	A	89.7	Confident	88.4	Confident	11 Å²	11	43.7 Å²	43.7	9%	0.091	24%	0.237	C	C	.	.			trans	-69.8	125.2	-176.3	0	0	0	0	0	111.8	L112 V116 G119 G461 Q483 F484	L112-A121 HydrophobicContact CD1-CB 3.78Å; L112-A121 HydrophobicContact CD2-CB 4.02Å; V116-A121 HydrophobicContact CG1-CB 4.46Å; G119-A121 VanDerWaalsContact C-N 3.33Å; A121-G461 WeakPolarHBondContact O-CA 3.28Å; A121-G461 PolarHBondContact O-N 3.2Å; A121-Q483 CarbonylContact C-O 3.53Å; A121-Q483 WeakPolarHBondContact CA-O 3.33Å; A121-F484 HydrophobicContact CB-CB 4.21Å
122	R	88.6	Confident	88.1	Confident	91 Å²	91	37.6 Å²	37.6	34%	0.343	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.3	175.7	58.3	-173	-174.6	-163.7	-0.6	109.8	E88 S120 H482 Q483	E88-R122 IonicContact OE1-CZ 2.97Å; E88-R122 IonicContact OE1-NH2 3.61Å; E88-R122 PolarHBondContact OE1-NH2 3.24Å; S120-R122 PolarHBondContact O-N 3.15Å; R122-H482 WeakPolarHBondContact O-CA 3.36Å; R122-Q483 HydrophobicContact CG-CB 3.69Å; R122-Q483 HydrophobicContact CG-CG 4.25Å; R122-Q483 PolarHBondContact N-O 3.22Å; R122-Q483 PolarHBondContact O-N 3.28Å
123	V	89.9	Confident	87.8	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.6	174.2	-179.9	0	0	0	0	108.2	V110 M458 L459 Y466 I480 S481 H482	V110-V123 HydrophobicContact CG1-CG2 4.37Å; V123-M458 CarbonylContact O-C 3.58Å; V123-M458 WeakPolarHBondContact O-CA 3.44Å; V123-L459 HydrophobicContact CB-CB 4.29Å; V123-L459 PolarHBondContact N-O 3.46Å; V123-L459 PolarHBondContact O-N 2.89Å; V123-Y466 HydrophobicContact CG1-CE1 4.35Å; V123-I480 HydrophobicContact CG1-CG2 3.92Å; V123-S481 CarbonylContact C-O 3.6Å; V123-S481 WeakPolarHBondContact CA-O 3.03Å; V123-H482 HydrophobicContact CG2-CB 4.15Å
124	T	90.6	Very high	87.5	Confident	8 Å²	8	32.7 Å²	32.7	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.1	-179	-55.1	0	0	0	0	108.7	E456 I480 S481	T124-E456 HydrophobicContact CG2-CG 3.27Å; T124-E456 WeakPolarHBondContact CG2-OE1 3.16Å; T124-I480 WeakPolarHBondContact O-CA 3.44Å; T124-S481 PolarHBondContact N-O 3.24Å; T124-S481 PolarHBondContact O-N 3.37Å
125	V	92.8	Very high	87	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.9	175.4	-177.6	0	0	0	0	107.4	V435 L442 F444 E456 K457 L459 I480	V125-V435 HydrophobicContact CG1-CB 4.35Å; V125-V435 HydrophobicContact CG1-CG1 4.35Å; V125-V435 HydrophobicContact CG1-CG2 3.86Å; V125-V435 HydrophobicContact CG2-CG1 4.44Å; V125-L442 HydrophobicContact CB-CD1 4.23Å; V125-L442 HydrophobicContact CG2-CD1 4.07Å; V125-F444 HydrophobicContact CB-CZ 4.44Å; V125-F444 HydrophobicContact CG1-CE2 3.92Å; V125-F444 HydrophobicContact CG1-CZ 4.09Å; V125-E456 CarbonylContact O-C 3.53Å; V125-E456 WeakPolarHBondContact O-CA 3.4Å; V125-K457 PolarHBondContact N-O 3.12Å; V125-K457 PolarHBondContact O-N 3.1Å; V125-L459 HydrophobicContact CG2-CD1 4.33Å; V125-I480 HydrophobicContact CG2-CG1 4.33Å
126	S	92.7	Very high	86.2	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	-179.4	51.9	0	0	0	0	111.6	R134 Y454 Q455 V478 Q479	S126-R134 VanDerWaalsContact C-NH2 3.35Å; S126-R134 PolarHBondContact O-NH2 2.78Å; S126-R134 VanDerWaalsContact OG-CZ 3.23Å; S126-R134 PolarHBondContact OG-NH1 3.2Å; S126-R134 PolarHBondContact OG-NH2 3.36Å; S126-Y454 WeakPolarHBondContact CB-OH 3.37Å; S126-Q455 CarbonylContact C-O 3.54Å; S126-Q455 WeakPolarHBondContact CA-O 3.28Å; S126-Q455 WeakPolarHBondContact CB-O 3.15Å; S126-V478 WeakPolarHBondContact O-CA 3.27Å; S126-Q479 PolarHBondContact N-O 2.82Å; S126-Q479 PolarHBondContact O-N 3.18Å; S126-Q479 PolarHBondContact OG-O 3.5Å
127	V	93.6	Very high	85.1	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.2	-173.2	-178.8	0	0	0	0	109.8	V433 F444 V446 Q455 V478	V127-V433 HydrophobicContact CG1-CB 4.26Å; V127-V433 HydrophobicContact CG1-CG2 3.79Å; V127-V433 HydrophobicContact CG2-CB 4.44Å; V127-V433 HydrophobicContact CG2-CG1 4.09Å; V127-F444 HydrophobicContact CB-CB 4.11Å; V127-F444 HydrophobicContact CB-CD1 4.26Å; V127-F444 HydrophobicContact CB-CG 4.07Å; V127-F444 HydrophobicContact CG1-CB 4.2Å; V127-F444 HydrophobicContact CG2-CB 4.06Å; V127-F444 HydrophobicContact CG2-CD1 4.13Å; V127-F444 HydrophobicContact CG2-CD2 3.64Å; V127-F444 HydrophobicContact CG2-CE1 4.47Å; V127-F444 HydrophobicContact CG2-CE2 4.04Å; V127-F444 HydrophobicContact CG2-CG 3.69Å; V127-F444 HydrophobicContact CG2-CZ 4.42Å; V127-V446 HydrophobicContact CG1-CG2 3.75Å; V127-Q455 PolarHBondContact N-O 2.8Å; V127-Q455 PolarHBondContact O-N 2.9Å; V127-Q455 VanDerWaalsContact O-N 3.14Å; V127-V478 HydrophobicContact CG1-CG2 4.47Å; V127-V478 HydrophobicContact CG2-CG1 4.3Å; V127-V478 HydrophobicContact CG2-CG2 4.27Å
128	L	91.1	Very high	83.9	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.5	177.8	-75.9	155	0	0	0	110	D130 R134 Y454 V476 S477	L128-D130 VanDerWaalsContact C-N 3.33Å; L128-R134 HydrophobicContact CD1-CB 4.09Å; L128-R134 HydrophobicContact CD1-CG 3.15Å; L128-R134 VanDerWaalsContact CD1-N 3.3Å; L128-Y454 HydrophobicContact CD1-CD2 3.83Å; L128-Y454 HydrophobicContact CD1-CE2 4.36Å; L128-Y454 VanDerWaalsContact CD2-CA 3.48Å; L128-Y454 HydrophobicContact CD2-CD2 4.15Å; L128-Y454 HydrophobicContact CD2-CG 4.46Å; L128-Y454 HydrophobicContact CG-CD2 4.07Å; L128-V476 CarbonylContact O-C 3.55Å; L128-V476 VanDerWaalsContact O-CA 3.27Å; L128-V476 WeakPolarHBondContact O-CA 3.5Å; L128-S477 PolarHBondContact N-O 3.32Å; L128-S477 PolarHBondContact O-N 2.61Å
129	G	88.3	Confident	82.4	Confident	3 Å²	3	17.4 Å²	17.4	3%	0.031	10%	0.1	C	C	.	.	S	Bend	trans	-90.9	5.2	172.3	0	0	0	0	0	114.5	V446 K451 C475	G129-V446 VanDerWaalsContact CA-CG1 3.4Å; G129-K451 WeakPolarHBondContact CA-O 3.05Å; G129-K451 PolarHBondContact N-O 3.34Å; G129-K451 WeakPolarHBondContact O-CE 3.48Å; G129-K451 WeakPolarHBondContact O-CG 3.27Å; G129-C475 CarbonylContact C-O 3.45Å; G129-C475 WeakPolarHBondContact CA-O 3.45Å
130	D	83.9	Confident	80.5	Confident	6 Å²	6	21 Å²	21	3%	0.032	10%	0.1	C	C	.	.	S	Bend	trans	-140.6	131.4	-173.3	-162	-59.6	0	0	0	110.3	L128 L132 G133 Y166 K451 L452	L128-D130 VanDerWaalsContact C-N 3.33Å; D130-L132 PolarHBondContact O-N 2.99Å; D130-L132 PolarHBondContact OD1-N 3.46Å; D130-G133 WeakPolarHBondContact O-CA 3.49Å; D130-G133 PolarHBondContact O-N 2.63Å; D130-Y166 PolarHBondContact OD1-OH 2.96Å; D130-Y166 WeakPolarHBondContact OD2-CE1 3.24Å; D130-Y166 PolarHBondContact OD2-OH 3.34Å; D130-K451 HydrophobicContact CB-CG 4.49Å; D130-L452 HydrophobicContact CB-CD2 3.75Å
131	I	81.6	Confident	78.6	Confident	11 Å²	11	22.2 Å²	22.2	6%	0.056	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.4	178.7	-172.4	176.1	0	0	0	112.5	L96 V391 T395 L417 S421	L96-I131 HydrophobicContact CD1-CB 4.4Å; L96-I131 HydrophobicContact CD2-CD1 4.12Å; I131-V391 HydrophobicContact CD1-CG1 3.43Å; I131-V391 VanDerWaalsContact CD1-CG1 3.43Å; I131-T395 VanDerWaalsContact CD1-OG1 3.28Å; I131-T395 WeakPolarHBondContact CD1-OG1 3.42Å; I131-L417 HydrophobicContact CD1-CD1 4.23Å; I131-L417 HydrophobicContact CD1-CD2 3.72Å; I131-L417 HydrophobicContact CD1-CG 4.46Å; I131-S421 WeakPolarHBondContact CG2-OG 3.43Å
132	L	81	Confident	76.4	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.3	174.4	-63.9	-178.1	0	0	0	112.4	D130 R134 A135 L136 Y166 L414 L417	D130-L132 PolarHBondContact O-N 2.99Å; D130-L132 PolarHBondContact OD1-N 3.46Å; L132-R134 PolarHBondContact O-N 3.5Å; L132-A135 PolarHBondContact O-N 3.2Å; L132-A135 VanDerWaalsContact O-N 3.14Å; L132-L136 HydrophobicContact CB-CD1 4.44Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.92Å; L132-Y166 HydrophobicContact CB-CD1 4.17Å; L132-Y166 HydrophobicContact CB-CE1 4.1Å; L132-Y166 HydrophobicContact CD1-CD1 3.49Å; L132-Y166 VanDerWaalsContact CD1-CD1 3.49Å; L132-Y166 HydrophobicContact CD1-CD2 3.75Å; L132-Y166 HydrophobicContact CD1-CE1 3.94Å; L132-Y166 HydrophobicContact CD1-CE2 4.2Å; L132-Y166 HydrophobicContact CD1-CG 3.37Å; L132-Y166 HydrophobicContact CG-CD1 4.41Å; L132-Y166 HydrophobicContact CG-CE1 4.48Å; L132-L414 HydrophobicContact CD2-CD2 3.74Å; L132-L417 HydrophobicContact CD2-CB 3.99Å
133	G	79.5	Confident	74.1	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54.5	-34.9	179.5	0	0	0	0	0	114.1	D130 L136 K137	D130-G133 WeakPolarHBondContact O-CA 3.49Å; D130-G133 PolarHBondContact O-N 2.63Å; G133-L136 CarbonylContact O-C 3.6Å; G133-L136 WeakPolarHBondContact O-CB 3.14Å; G133-L136 PolarHBondContact O-N 2.67Å; G133-K137 PolarHBondContact O-N 2.91Å
134	R	80.1	Confident	71.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-47.6	177	-64.9	-175.4	-179.2	-78.6	-17.6	111.9	S126 L128 L132 L136 K137 N138 Y454	S126-R134 VanDerWaalsContact C-NH2 3.35Å; S126-R134 PolarHBondContact O-NH2 2.78Å; S126-R134 VanDerWaalsContact OG-CZ 3.23Å; S126-R134 PolarHBondContact OG-NH1 3.2Å; S126-R134 PolarHBondContact OG-NH2 3.36Å; L128-R134 HydrophobicContact CD1-CB 4.09Å; L128-R134 HydrophobicContact CD1-CG 3.15Å; L128-R134 VanDerWaalsContact CD1-N 3.3Å; L132-R134 PolarHBondContact O-N 3.5Å; R134-L136 PolarHBondContact O-N 2.91Å; R134-K137 PolarHBondContact O-N 3.41Å; R134-N138 WeakPolarHBondContact O-CB 3.26Å; R134-N138 PolarHBondContact O-N 2.94Å; R134-N138 PolarHBondContact O-ND2 3.34Å; R134-N138 VanDerWaalsContact O-ND2 3.17Å; R134-Y454 HydrophobicContact CG-CE2 4.49Å
135	A	75.3	Confident	68.8	Low	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-32	173.9	0	0	0	0	0	110.7	L132 N138 L139 L142 I163 L414	L132-A135 PolarHBondContact O-N 3.2Å; L132-A135 VanDerWaalsContact O-N 3.14Å; A135-N138 CarbonylContact O-C 3.08Å; A135-N138 VanDerWaalsContact O-C 3.3Å; A135-L139 PolarHBondContact O-N 3.06Å; A135-L142 HydrophobicContact CB-CD1 3.97Å; A135-L142 WeakPolarHBondContact O-CD1 3.02Å; A135-I163 HydrophobicContact CB-CD1 4.01Å; A135-L414 HydrophobicContact CB-CD2 4.06Å
136	L	72.3	Confident	66.6	Low	26 Å²	26	28.5 Å²	28.5	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-73.5	-41.1	175.3	-72.5	167.3	0	0	0	114.3	L132 G133 R134 N138 L139 I163 L167 L452	L132-L136 HydrophobicContact CB-CD1 4.44Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.92Å; G133-L136 CarbonylContact O-C 3.6Å; G133-L136 WeakPolarHBondContact O-CB 3.14Å; G133-L136 PolarHBondContact O-N 2.67Å; R134-L136 PolarHBondContact O-N 2.91Å; L136-N138 VanDerWaalsContact C-N 3.33Å; L136-L139 HydrophobicContact CD2-CD1 3.8Å; L136-L139 VanDerWaalsContact O-CB 3.23Å; L136-L139 WeakPolarHBondContact O-CB 3.24Å; L136-L139 PolarHBondContact O-N 2.99Å; L136-L139 VanDerWaalsContact O-N 3.13Å; L136-I163 HydrophobicContact CD2-CG2 3.23Å; L136-I163 HydrophobicContact CG-CG2 4.04Å; L136-L167 HydrophobicContact CD1-CD2 3.88Å; L136-L167 HydrophobicContact CD2-CD1 3.62Å; L136-L167 HydrophobicContact CD2-CD2 3.82Å; L136-L167 HydrophobicContact CD2-CG 3.85Å; L136-L452 HydrophobicContact CD1-CD1 4.48Å; L136-L452 HydrophobicContact CD1-CD2 3.72Å
137	K	68.8	Low	64.6	Low	93 Å²	93	31.3 Å²	31.3	40%	0.404	16%	0.157	S	C	.	.	H	α-helix	trans	-64.1	-46	171.3	170	174.8	173.4	-174.6	0	110	G133 R134 L139 Y454 E456	G133-K137 PolarHBondContact O-N 2.91Å; R134-K137 PolarHBondContact O-N 3.41Å; K137-L139 PolarHBondContact O-N 2.96Å; K137-L139 VanDerWaalsContact O-N 3.07Å; K137-Y454 HydrophobicContact CB-CD2 4.08Å; K137-Y454 HydrophobicContact CB-CG 4.2Å; K137-Y454 VanDerWaalsContact CD-CB 3.44Å; K137-Y454 HydrophobicContact CD-CD1 3.23Å; K137-Y454 HydrophobicContact CD-CD2 3.46Å; K137-Y454 VanDerWaalsContact CD-CD2 3.46Å; K137-Y454 HydrophobicContact CD-CE1 3.67Å; K137-Y454 HydrophobicContact CD-CE2 3.93Å; K137-Y454 HydrophobicContact CD-CG 3.09Å; K137-Y454 HydrophobicContact CG-CD2 4.37Å; K137-Y454 HydrophobicContact CG-CG 4.2Å; K137-E456 IonicContact NZ-OE2 2.66Å
138	N	62.7	Low	63.1	Low	25 Å²	25	31.8 Å²	31.8	13%	0.134	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	17.1	176	-65.1	-53.8	0	0	0	111.7	R134 A135 L136 E140 G141 L142 Y401	R134-N138 WeakPolarHBondContact O-CB 3.26Å; R134-N138 PolarHBondContact O-N 2.94Å; R134-N138 PolarHBondContact O-ND2 3.34Å; R134-N138 VanDerWaalsContact O-ND2 3.17Å; A135-N138 CarbonylContact O-C 3.08Å; A135-N138 VanDerWaalsContact O-C 3.3Å; L136-N138 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.15Å; N138-E140 VanDerWaalsContact O-N 3.1Å; N138-G141 CarbonylContact O-C 3.53Å; N138-G141 WeakPolarHBondContact O-CA 3.37Å; N138-G141 PolarHBondContact O-N 3.26Å; N138-L142 HydrophobicContact CB-CD1 3.93Å; N138-L142 HydrophobicContact CB-CG 4.32Å; N138-L142 WeakPolarHBondContact O-CA 3.33Å; N138-L142 VanDerWaalsContact O-CB 3.22Å; N138-L142 WeakPolarHBondContact O-CB 3.47Å; N138-L142 PolarHBondContact O-N 3.32Å; N138-Y401 WeakPolarHBondContact CB-O 3.17Å; N138-Y401 WeakPolarHBondContact ND2-CA 3.02Å; N138-Y401 PolarHBondContact ND2-O 3.23Å
139	L	55.5	Low	62.1	Low	15 Å²	15	32.1 Å²	32.1	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-51.2	-32.5	164.2	-121.7	77.8	0	0	0	109.4	A135 L136 K137 L143 I163 T177	A135-L139 PolarHBondContact O-N 3.06Å; L136-L139 HydrophobicContact CD2-CD1 3.8Å; L136-L139 VanDerWaalsContact O-CB 3.23Å; L136-L139 WeakPolarHBondContact O-CB 3.24Å; L136-L139 PolarHBondContact O-N 2.99Å; L136-L139 VanDerWaalsContact O-N 3.13Å; K137-L139 PolarHBondContact O-N 2.96Å; K137-L139 VanDerWaalsContact O-N 3.07Å; L139-L143 HydrophobicContact CB-CD1 3.52Å; L139-L143 HydrophobicContact CB-CG 4.15Å; L139-L143 HydrophobicContact CD2-CD1 3.23Å; L139-L143 HydrophobicContact CD2-CG 4.23Å; L139-L143 HydrophobicContact CG-CD1 3.16Å; L139-L143 HydrophobicContact CG-CG 3.71Å; L139-L143 CarbonylContact O-C 3.44Å; L139-L143 WeakPolarHBondContact O-CA 3.15Å; L139-L143 WeakPolarHBondContact O-CB 3.29Å; L139-L143 VanDerWaalsContact O-CD1 3.22Å; L139-L143 WeakPolarHBondContact O-CD1 3.33Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.03Å; L139-I163 HydrophobicContact CD1-CD1 4.19Å; L139-I163 HydrophobicContact CD1-CG2 3.72Å; L139-T177 HydrophobicContact CD2-CG2 4Å
140	E	44.5	Very low	61.4	Low	135 Å²	135	32 Å²	32	63%	0.631	16%	0.163	S	C	*	.	H	α-helix	trans	-76.2	-25.4	175.5	-65.2	-172.2	162.4	0	0	114.3	N138 L143 K144 K180	N138-E140 PolarHBondContact O-N 3.15Å; N138-E140 VanDerWaalsContact O-N 3.1Å; E140-L143 CarbonylContact O-C 3.58Å; E140-K144 PolarHBondContact O-N 3.47Å; E140-K180 VanDerWaalsContact CG-NZ 3.3Å; E140-K180 IonicContact OE1-NZ 2.75Å; E140-K180 PolarHBondContact OE1-NZ 3.45Å
141	G	48.7	Very low	61	Low	37 Å²	37	31.7 Å²	31.7	38%	0.381	16%	0.161	S	C	.	.	H	α-helix	trans	-86.4	-30.7	174.7	0	0	0	0	0	114.4	N138 K144	N138-G141 CarbonylContact O-C 3.53Å; N138-G141 WeakPolarHBondContact O-CA 3.37Å; N138-G141 PolarHBondContact O-N 3.26Å; G141-K144 WeakPolarHBondContact O-CG 3.22Å
142	L	42.6	Very low	60.6	Low	30 Å²	30	31.5 Å²	31.5	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-95.7	-30	178.3	-69.5	160.2	0	0	0	111.7	A135 N138 K144 N160	A135-L142 HydrophobicContact CB-CD1 3.97Å; A135-L142 WeakPolarHBondContact O-CD1 3.02Å; N138-L142 HydrophobicContact CB-CD1 3.93Å; N138-L142 HydrophobicContact CB-CG 4.32Å; N138-L142 WeakPolarHBondContact O-CA 3.33Å; N138-L142 VanDerWaalsContact O-CB 3.22Å; N138-L142 WeakPolarHBondContact O-CB 3.47Å; N138-L142 PolarHBondContact O-N 3.32Å; L142-K144 VanDerWaalsContact C-N 3.28Å; L142-N160 PolarHBondContact O-ND2 3.43Å; L142-N160 VanDerWaalsContact O-ND2 3.1Å
143	L	40.4	Very low	60.6	Low	5 Å²	5	31.4 Å²	31.4	3%	0.026	16%	0.16	C	C	.	.	S	Bend	trans	-92	48.8	154.3	-43.6	150.4	0	0	0	109.7	L139 E140 M145 N160 F184	L139-L143 HydrophobicContact CB-CD1 3.52Å; L139-L143 HydrophobicContact CB-CG 4.15Å; L139-L143 HydrophobicContact CD2-CD1 3.23Å; L139-L143 HydrophobicContact CD2-CG 4.23Å; L139-L143 HydrophobicContact CG-CD1 3.16Å; L139-L143 HydrophobicContact CG-CG 3.71Å; L139-L143 CarbonylContact O-C 3.44Å; L139-L143 WeakPolarHBondContact O-CA 3.15Å; L139-L143 WeakPolarHBondContact O-CB 3.29Å; L139-L143 VanDerWaalsContact O-CD1 3.22Å; L139-L143 WeakPolarHBondContact O-CD1 3.33Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.03Å; E140-L143 CarbonylContact O-C 3.58Å; L143-M145 PolarHBondContact O-N 2.83Å; L143-N160 HydrophobicContact CD2-CB 3.63Å; L143-N160 VanDerWaalsContact CD2-ND2 3.26Å; L143-N160 WeakPolarHBondContact CD2-ND2 3.36Å; L143-N160 WeakPolarHBondContact CD2-OD1 3.37Å; L143-N160 VanDerWaalsContact CG-OD1 3.31Å; L143-N160 WeakPolarHBondContact CG-OD1 3.49Å; L143-F184 HydrophobicContact CB-CD2 3.56Å; L143-F184 HydrophobicContact CB-CE2 3.55Å; L143-F184 HydrophobicContact CB-CG 4.05Å; L143-F184 HydrophobicContact CB-CZ 4.11Å; L143-F184 HydrophobicContact CD1-CD2 3.56Å; L143-F184 HydrophobicContact CD1-CE2 3.6Å; L143-F184 HydrophobicContact CD2-CB 3.92Å; L143-F184 HydrophobicContact CD2-CD2 3.57Å; L143-F184 HydrophobicContact CD2-CE2 4.34Å; L143-F184 HydrophobicContact CD2-CG 4.03Å; L143-F184 HydrophobicContact CG-CD2 3.81Å; L143-F184 HydrophobicContact CG-CE2 4.07Å
144	K	39.9	Very low	60.9	Low	96 Å²	96	31.4 Å²	31.4	42%	0.417	16%	0.16	S	C	.	.	S	Bend	trans	-58.8	136.9	149.4	-81.8	177.6	-178.4	176.7	0	106.7	E140 G141 L142 P146 Y147 L156	E140-K144 PolarHBondContact O-N 3.47Å; G141-K144 WeakPolarHBondContact O-CG 3.22Å; L142-K144 VanDerWaalsContact C-N 3.28Å; K144-P146 WeakPolarHBondContact O-CD 3.3Å; K144-P146 VanDerWaalsContact O-N 3.08Å; K144-Y147 HydrophobicContact CB-CE1 4.06Å; K144-Y147 HydrophobicContact CD-CE1 4.14Å; K144-L156 HydrophobicContact CB-CD1 4.43Å; K144-L156 HydrophobicContact CB-CD2 4.41Å
145	M	29.8	Very low	60.8	Low	113 Å²	113	32.4 Å²	32.4	56%	0.557	17%	0.168	S	C	*	.			trans	-45.9	124.7	172.6	-92.3	-132.7	-68.1	0	0	108.1	L143 Y147 F184	L143-M145 PolarHBondContact O-N 2.83Å; M145-Y147 WeakPolarHBondContact O-CD1 3.49Å; M145-Y147 PolarHBondContact O-N 2.95Å; M145-F184 HydrophobicContact CG-CD1 4.1Å; M145-F184 HydrophobicContact CG-CE1 3.79Å
146	P	45.8	Very low	61	Low	2 Å²	2	33.8 Å²	33.8	1%	0.013	18%	0.175	C	C	.	.			trans	-53.3	116.4	179.9	-29.3	37.2	0	0	0	109.7	K144 N153 L156 R191	K144-P146 WeakPolarHBondContact O-CD 3.3Å; K144-P146 VanDerWaalsContact O-N 3.08Å; P146-N153 HydrophobicContact CB-CB 4.43Å; P146-N153 WeakPolarHBondContact CB-OD1 3.44Å; P146-L156 HydrophobicContact CB-CB 4.43Å; P146-L156 HydrophobicContact CG-CB 4.35Å; P146-R191 WeakPolarHBondContact O-CD 3.28Å; P146-R191 VanDerWaalsContact O-CZ 3.28Å; P146-R191 PolarHBondContact O-NE 3.11Å
147	Y	51	Low	61.6	Low	59 Å²	59	32.7 Å²	32.7	23%	0.231	17%	0.169	C	C	.	.			trans	-129.7	164.2	-178.8	64.5	-101.2	0	0	0	110.8	K144 M145 Q152 L156	K144-Y147 HydrophobicContact CB-CE1 4.06Å; K144-Y147 HydrophobicContact CD-CE1 4.14Å; M145-Y147 WeakPolarHBondContact O-CD1 3.49Å; M145-Y147 PolarHBondContact O-N 2.95Å; Y147-Q152 WeakPolarHBondContact O-CB 3.46Å; Y147-L156 HydrophobicContact CD1-CD1 4.36Å; Y147-L156 HydrophobicContact CE1-CD1 4.27Å
148	G	62.4	Low	62.5	Low	11 Å²	11	28.3 Å²	28.3	11%	0.113	15%	0.15	C	C	.	.	S	Bend	trans	76.1	-158.9	-178.5	0	0	0	0	0	113.6	Y195	G148-Y195 PolarHBondContact O-OH 3.41Å
149	C	69.4	Low	63.5	Low	6 Å²	6	27.3 Å²	27.3	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	-71.4	171.5	-168.4	74.8	0	0	0	0	112.6	E151 Q152 N153 T204 F205	C149-E151 PolarHBondContact O-N 3.14Å; C149-E151 VanDerWaalsContact O-N 3.13Å; C149-Q152 PolarHBondContact O-N 3.4Å; C149-N153 WeakPolarHBondContact O-CB 3.35Å; C149-N153 PolarHBondContact O-N 3.46Å; C149-T204 HydrophobicContact CB-CG2 4.19Å; C149-T204 VanDerWaalsContact CB-O 3.28Å; C149-T204 WeakPolarHBondContact CB-O 3.26Å; C149-F205 HydrophobicContact CB-CD1 3.86Å; C149-F205 HydrophobicContact CB-CE1 3.83Å
150	G	74.8	Confident	64.8	Low	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-26.7	-175.6	0	0	0	0	0	114.5	M154 Q192 T204	G150-M154 WeakPolarHBondContact O-CG 3.48Å; G150-M154 PolarHBondContact O-N 3.41Å; G150-Q192 PolarHBondContact O-NE2 3.23Å; G150-Q192 PolarHBondContact O-OE1 3.22Å; G150-T204 PolarHBondContact N-O 3.41Å
151	E	75	Confident	66.9	Low	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.5	-50.5	172.5	-76.7	172	-166.4	0	0	111.5	C149 N153 M154 A155 T204 L214 L259 F260 N261 M264 Y607	C149-E151 PolarHBondContact O-N 3.14Å; C149-E151 VanDerWaalsContact O-N 3.13Å; E151-N153 VanDerWaalsContact C-N 3.35Å; E151-N153 PolarHBondContact O-N 3.46Å; E151-M154 PolarHBondContact O-N 2.73Å; E151-A155 PolarHBondContact O-N 3.5Å; E151-T204 HydrophobicContact CB-CG2 4.21Å; E151-T204 HydrophobicContact CG-CG2 3.76Å; E151-T204 WeakPolarHBondContact OE1-CG2 3.28Å; E151-T204 PolarHBondContact OE1-OG1 2.89Å; E151-L214 HydrophobicContact CG-CD1 4.38Å; E151-L214 HydrophobicContact CG-CD2 4.34Å; E151-L259 HydrophobicContact CG-CD2 3.93Å; E151-L259 WeakPolarHBondContact OE1-CA 3.23Å; E151-L259 VanDerWaalsContact OE1-CD2 3.24Å; E151-L259 WeakPolarHBondContact OE1-CD2 3.21Å; E151-F260 PolarHBondContact OE1-N 2.78Å; E151-N261 VanDerWaalsContact OE2-CB 3.27Å; E151-N261 WeakPolarHBondContact OE2-CB 3.47Å; E151-N261 PolarHBondContact OE2-N 2.94Å; E151-M264 HydrophobicContact CB-CE 4.22Å; E151-M264 HydrophobicContact CB-SD 3.53Å; E151-M264 VanDerWaalsContact CB-SD 3.53Å; E151-M264 HydrophobicContact CG-SD 3.88Å; E151-M264 WeakPolarHBondContact O-CE 3.38Å; E151-Y607 PolarHBondContact OE2-OH 3.24Å
152	Q	73	Confident	68.8	Low	7 Å²	7	19 Å²	19	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-40	-179.4	-66.6	173.5	-40.1	0	0	112.4	Y147 C149 M154 A155 L156 Y606	Y147-Q152 WeakPolarHBondContact O-CB 3.46Å; C149-Q152 PolarHBondContact O-N 3.4Å; Q152-M154 VanDerWaalsContact C-N 3.33Å; Q152-M154 PolarHBondContact O-N 3.18Å; Q152-A155 WeakPolarHBondContact O-CB 3.17Å; Q152-A155 PolarHBondContact O-N 2.79Å; Q152-L156 PolarHBondContact O-N 2.96Å; Q152-Y606 HydrophobicContact CG-CE1 3.55Å; Q152-Y606 WeakPolarHBondContact CG-OH 3.47Å; Q152-Y606 PolarHBondContact NE2-OH 3.28Å
153	N	81.9	Confident	70.8	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-45.4	176.3	-175.8	82.5	0	0	0	111.1	P146 C149 E151 L156 L157 G188 R191 Q192	P146-N153 HydrophobicContact CB-CB 4.43Å; P146-N153 WeakPolarHBondContact CB-OD1 3.44Å; C149-N153 WeakPolarHBondContact O-CB 3.35Å; C149-N153 PolarHBondContact O-N 3.46Å; E151-N153 VanDerWaalsContact C-N 3.35Å; E151-N153 PolarHBondContact O-N 3.46Å; N153-L156 PolarHBondContact O-N 3.26Å; N153-L157 WeakPolarHBondContact O-CB 3.3Å; N153-L157 PolarHBondContact O-N 2.99Å; N153-G188 PolarHBondContact ND2-O 3.34Å; N153-R191 WeakPolarHBondContact OD1-CD 3.37Å; N153-R191 WeakPolarHBondContact OD1-CG 3.49Å; N153-Q192 WeakPolarHBondContact ND2-CB 3.28Å; N153-Q192 PolarHBondContact ND2-OE1 3.17Å
154	M	85.7	Confident	73.1	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70	-32.9	176.8	-72.1	-52.9	-51.5	0	0	113.5	G150 E151 Q152 L156 L157 A158 Q192 F217 V218 S221 F222 M264	G150-M154 WeakPolarHBondContact O-CG 3.48Å; G150-M154 PolarHBondContact O-N 3.41Å; E151-M154 PolarHBondContact O-N 2.73Å; Q152-M154 VanDerWaalsContact C-N 3.33Å; Q152-M154 PolarHBondContact O-N 3.18Å; M154-L156 PolarHBondContact O-N 3.21Å; M154-L157 HydrophobicContact CE-CB 4.48Å; M154-L157 HydrophobicContact CE-CD2 4.11Å; M154-L157 PolarHBondContact O-N 3.42Å; M154-L157 HydrophobicContact SD-CB 4.47Å; M154-L157 HydrophobicContact SD-CD2 3.84Å; M154-A158 WeakPolarHBondContact O-CB 3.24Å; M154-A158 PolarHBondContact O-N 2.65Å; M154-Q192 HydrophobicContact CG-CG 4.36Å; M154-Q192 HydrophobicContact SD-CG 3.86Å; M154-F217 HydrophobicContact CB-CD1 4Å; M154-F217 HydrophobicContact CB-CE1 3.62Å; M154-F217 HydrophobicContact CE-CD1 4.47Å; M154-F217 HydrophobicContact CE-CE1 4.29Å; M154-F217 HydrophobicContact CG-CD1 4.47Å; M154-F217 HydrophobicContact CG-CE1 4.5Å; M154-V218 HydrophobicContact CE-CG2 4.5Å; M154-V218 HydrophobicContact CG-CG2 3.66Å; M154-V218 HydrophobicContact SD-CB 4.48Å; M154-V218 HydrophobicContact SD-CG1 4.49Å; M154-V218 HydrophobicContact SD-CG2 3.86Å; M154-S221 WeakPolarHBondContact CE-OG 3.31Å; M154-F222 HydrophobicContact SD-CE1 4.24Å; M154-M264 HydrophobicContact CB-CE 3.97Å
155	A	77.6	Confident	75.4	Confident	20 Å²	20	14.6 Å²	14.6	17%	0.165	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-32.6	175.1	0	0	0	0	0	112.8	E151 Q152 P159 T407	E151-A155 PolarHBondContact O-N 3.5Å; Q152-A155 WeakPolarHBondContact O-CB 3.17Å; Q152-A155 PolarHBondContact O-N 2.79Å; A155-P159 WeakPolarHBondContact O-CD 3.31Å; A155-P159 WeakPolarHBondContact O-CG 3.45Å; A155-T407 VanDerWaalsContact CA-CG2 3.43Å; A155-T407 HydrophobicContact CB-CG2 3.3Å
156	L	78.2	Confident	78.3	Confident	30 Å²	30	9.4 Å²	9.4	16%	0.157	5%	0.05	C	C	.	.	H	α-helix	trans	-87.8	-36.7	175.2	-64.1	170.7	0	0	0	111.7	K144 P146 Y147 Q152 N153 M154 N160	K144-L156 HydrophobicContact CB-CD1 4.43Å; K144-L156 HydrophobicContact CB-CD2 4.41Å; P146-L156 HydrophobicContact CB-CB 4.43Å; P146-L156 HydrophobicContact CG-CB 4.35Å; Y147-L156 HydrophobicContact CD1-CD1 4.36Å; Y147-L156 HydrophobicContact CE1-CD1 4.27Å; Q152-L156 PolarHBondContact O-N 2.96Å; N153-L156 PolarHBondContact O-N 3.26Å; M154-L156 PolarHBondContact O-N 3.21Å; L156-N160 PolarHBondContact O-ND2 2.86Å
157	L	85.3	Confident	80.3	Confident	3 Å²	3	9.5 Å²	9.5	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-69.4	-47	-176.5	-173.6	68	0	0	0	113	N153 M154 N160 I161 L185 F222	N153-L157 WeakPolarHBondContact O-CB 3.3Å; N153-L157 PolarHBondContact O-N 2.99Å; M154-L157 HydrophobicContact CE-CB 4.48Å; M154-L157 HydrophobicContact CE-CD2 4.11Å; M154-L157 PolarHBondContact O-N 3.42Å; M154-L157 HydrophobicContact SD-CB 4.47Å; M154-L157 HydrophobicContact SD-CD2 3.84Å; L157-N160 PolarHBondContact O-N 3.22Å; L157-I161 HydrophobicContact CG-CD1 4.23Å; L157-L185 HydrophobicContact CD1-CB 4.44Å; L157-L185 HydrophobicContact CD1-CD2 3.5Å; L157-L185 HydrophobicContact CG-CD2 4.44Å; L157-F222 HydrophobicContact CD2-CD1 4.36Å; L157-F222 HydrophobicContact CD2-CE1 3.91Å
158	A	87.3	Confident	82.2	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64	-47.7	-170.1	0	0	0	0	0	114.4	M154 N160 I161 Y162 F217 V411	M154-A158 WeakPolarHBondContact O-CB 3.24Å; M154-A158 PolarHBondContact O-N 2.65Å; A158-N160 PolarHBondContact O-N 2.94Å; A158-I161 PolarHBondContact O-N 2.74Å; A158-I161 VanDerWaalsContact O-N 3.12Å; A158-Y162 WeakPolarHBondContact O-CD2 3.29Å; A158-F217 HydrophobicContact CB-CE1 4.48Å; A158-F217 HydrophobicContact CB-CE2 4.01Å; A158-F217 HydrophobicContact CB-CZ 3.54Å; A158-V411 HydrophobicContact CB-CG1 4.21Å; A158-V411 HydrophobicContact CB-CG2 3.81Å
159	P	83.5	Confident	83.5	Confident	4 Å²	4	15.4 Å²	15.4	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-53.7	-40.1	177.3	-30.1	38.9	0	0	0	113.3	A155 I161 Y162 I163 T410 V411 L414	A155-P159 WeakPolarHBondContact O-CD 3.31Å; A155-P159 WeakPolarHBondContact O-CG 3.45Å; P159-I161 VanDerWaalsContact C-N 3.29Å; P159-I161 PolarHBondContact O-N 3.35Å; P159-Y162 PolarHBondContact O-N 3.1Å; P159-I163 WeakPolarHBondContact O-CG1 3.18Å; P159-I163 PolarHBondContact O-N 3.33Å; P159-I163 VanDerWaalsContact O-N 3.09Å; P159-T410 HydrophobicContact CG-CG2 4.45Å; P159-V411 HydrophobicContact CG-CG2 3.88Å; P159-L414 HydrophobicContact CB-CD1 3.75Å
160	N	83.1	Confident	84.3	Confident	5 Å²	5	15.6 Å²	15.6	3%	0.027	8%	0.08	C	C	.	.	H	α-helix	trans	-66.1	-31.7	-176.8	-69.6	-41.6	0	0	0	112.6	L142 L143 L156 L157 A158 L164 L185	L142-N160 PolarHBondContact O-ND2 3.43Å; L142-N160 VanDerWaalsContact O-ND2 3.1Å; L143-N160 HydrophobicContact CD2-CB 3.63Å; L143-N160 VanDerWaalsContact CD2-ND2 3.26Å; L143-N160 WeakPolarHBondContact CD2-ND2 3.36Å; L143-N160 WeakPolarHBondContact CD2-OD1 3.37Å; L143-N160 VanDerWaalsContact CG-OD1 3.31Å; L143-N160 WeakPolarHBondContact CG-OD1 3.49Å; L156-N160 PolarHBondContact O-ND2 2.86Å; L157-N160 PolarHBondContact O-N 3.22Å; A158-N160 PolarHBondContact O-N 2.94Å; N160-L164 VanDerWaalsContact O-CG 3.29Å; N160-L164 WeakPolarHBondContact O-CG 3.41Å; N160-L164 PolarHBondContact O-N 3.4Å; N160-L164 VanDerWaalsContact O-N 3.1Å; N160-L185 HydrophobicContact CB-CD2 4.33Å
161	I	89.6	Confident	84.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.6	-44.7	176.5	-61.9	162.7	0	0	0	110.6	L157 A158 P159 L164 H165 L185 S221 Q224 A225 F228	L157-I161 HydrophobicContact CG-CD1 4.23Å; A158-I161 PolarHBondContact O-N 2.74Å; A158-I161 VanDerWaalsContact O-N 3.12Å; P159-I161 VanDerWaalsContact C-N 3.29Å; P159-I161 PolarHBondContact O-N 3.35Å; I161-L164 PolarHBondContact O-N 3.2Å; I161-H165 PolarHBondContact O-CD2 3.14Å; I161-H165 PolarHBondContact O-N 3.18Å; I161-L185 HydrophobicContact CD1-CD2 4.49Å; I161-L185 HydrophobicContact CG1-CD1 4.48Å; I161-L185 HydrophobicContact CG1-CD2 3.65Å; I161-S221 WeakPolarHBondContact CD1-O 3.43Å; I161-Q224 HydrophobicContact CG2-CB 3.65Å; I161-A225 HydrophobicContact CD1-CB 3.79Å; I161-A225 HydrophobicContact CG1-CB 4.15Å; I161-F228 HydrophobicContact CG2-CE2 4.46Å
162	Y	88	Confident	85.4	Confident	8 Å²	8	26.1 Å²	26.1	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-69.1	-37.2	-179.5	-62.6	-67.8	0	0	0	112.4	A158 P159 L164 H165 Y166 V411 Q415	A158-Y162 WeakPolarHBondContact O-CD2 3.29Å; P159-Y162 PolarHBondContact O-N 3.1Å; Y162-L164 VanDerWaalsContact C-N 3.31Å; Y162-L164 PolarHBondContact O-N 3.38Å; Y162-H165 PolarHBondContact O-N 3.09Å; Y162-Y166 PolarHBondContact O-N 2.99Å; Y162-V411 HydrophobicContact CD2-CG1 4.3Å; Y162-V411 HydrophobicContact CE2-CG1 3.65Å; Y162-Q415 HydrophobicContact CD1-CB 3.74Å; Y162-Q415 HydrophobicContact CD1-CG 3.71Å; Y162-Q415 HydrophobicContact CD2-CB 4.35Å; Y162-Q415 HydrophobicContact CE1-CB 3.82Å; Y162-Q415 HydrophobicContact CE1-CG 3.53Å; Y162-Q415 HydrophobicContact CE2-CB 4.45Å; Y162-Q415 HydrophobicContact CG-CB 4.01Å; Y162-Q415 HydrophobicContact CG-CG 4.48Å
163	I	84.8	Confident	86.1	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-38.9	173.5	-65.8	168.3	0	0	0	111.2	A135 L136 L139 P159 Y166 L167 L414	A135-I163 HydrophobicContact CB-CD1 4.01Å; L136-I163 HydrophobicContact CD2-CG2 3.23Å; L136-I163 HydrophobicContact CG-CG2 4.04Å; L139-I163 HydrophobicContact CD1-CD1 4.19Å; L139-I163 HydrophobicContact CD1-CG2 3.72Å; P159-I163 WeakPolarHBondContact O-CG1 3.18Å; P159-I163 PolarHBondContact O-N 3.33Å; P159-I163 VanDerWaalsContact O-N 3.09Å; I163-Y166 WeakPolarHBondContact O-CB 3.48Å; I163-Y166 PolarHBondContact O-N 3.44Å; I163-L167 HydrophobicContact CG2-CD1 4.46Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; I163-L167 PolarHBondContact O-N 2.9Å; I163-L414 HydrophobicContact CD1-CD1 4.45Å
164	L	88.4	Confident	86.3	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-69.3	-38.3	175.8	-72	174.9	0	0	0	113	N160 I161 Y162 Y166 L167 K168 L173 A181 L185 F228	N160-L164 VanDerWaalsContact O-CG 3.29Å; N160-L164 WeakPolarHBondContact O-CG 3.41Å; N160-L164 PolarHBondContact O-N 3.4Å; N160-L164 VanDerWaalsContact O-N 3.1Å; I161-L164 PolarHBondContact O-N 3.2Å; Y162-L164 VanDerWaalsContact C-N 3.31Å; Y162-L164 PolarHBondContact O-N 3.38Å; L164-Y166 VanDerWaalsContact C-N 3.29Å; L164-Y166 PolarHBondContact O-N 3.07Å; L164-L167 PolarHBondContact O-N 3.34Å; L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 PolarHBondContact O-N 2.9Å; L164-L173 HydrophobicContact CD2-CD1 3.81Å; L164-A181 HydrophobicContact CD1-CB 3.54Å; L164-A181 HydrophobicContact CD2-CB 3.56Å; L164-A181 HydrophobicContact CG-CB 4.02Å; L164-L185 HydrophobicContact CD1-CD1 3.53Å; L164-L185 HydrophobicContact CD1-CG 4.26Å; L164-F228 VanDerWaalsContact C-CZ 3.46Å; L164-F228 HydrophobicContact CB-CD1 4.16Å; L164-F228 HydrophobicContact CB-CD2 4.16Å; L164-F228 HydrophobicContact CB-CE1 3.71Å; L164-F228 HydrophobicContact CB-CE2 3.71Å; L164-F228 HydrophobicContact CB-CG 4.37Å; L164-F228 HydrophobicContact CB-CZ 3.49Å; L164-F228 VanDerWaalsContact CB-CZ 3.49Å; L164-F228 HydrophobicContact CD1-CB 4.45Å; L164-F228 HydrophobicContact CD1-CD1 4.25Å; L164-F228 HydrophobicContact CD1-CD2 4.16Å; L164-F228 HydrophobicContact CD1-CG 4.02Å
165	H	89.6	Confident	86.4	Confident	29 Å²	29	36.2 Å²	36.2	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-43.1	172.5	-85	-57.5	0	0	0	111.2	I161 Y162 K168 N169 Q224 S227 F228	I161-H165 PolarHBondContact O-CD2 3.14Å; I161-H165 PolarHBondContact O-N 3.18Å; Y162-H165 PolarHBondContact O-N 3.09Å; H165-K168 PolarHBondContact O-N 3.17Å; H165-N169 WeakPolarHBondContact O-CB 3.39Å; H165-N169 PolarHBondContact O-N 3.03Å; H165-N169 PolarHBondContact O-ND2 3.38Å; H165-N169 PolarHBondContact O-OD1 3.48Å; H165-Q224 PolarHBondContact NE2-O 2.62Å; H165-Q224 PolarHBondContact NE2-OE1 3.28Å; H165-S227 PolarHBondContact CE1-OG 3.09Å; H165-F228 HydrophobicContact CB-CZ 4.45Å; H165-F228 AromaticContact CD2-CE2 3.86Å; H165-F228 AromaticContact CE1-CE2 3.79Å; H165-F228 AromaticContact CG-CE2 3.86Å; H165-F228 AromaticContact CG-CZ 3.89Å; H165-F228 AromaticContact ND1-CE2 3.81Å; H165-F228 AromaticContact ND1-CZ 3.66Å; H165-F228 AromaticContact NE2-CE2 3.81Å
166	Y	89.1	Confident	86.8	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-55.6	-59.4	172.9	176.5	-114.2	0	0	0	112	D130 L132 Y162 I163 L164 K168 N169 T170	D130-Y166 PolarHBondContact OD1-OH 2.96Å; D130-Y166 WeakPolarHBondContact OD2-CE1 3.24Å; D130-Y166 PolarHBondContact OD2-OH 3.34Å; L132-Y166 HydrophobicContact CB-CD1 4.17Å; L132-Y166 HydrophobicContact CB-CE1 4.1Å; L132-Y166 HydrophobicContact CD1-CD1 3.49Å; L132-Y166 VanDerWaalsContact CD1-CD1 3.49Å; L132-Y166 HydrophobicContact CD1-CD2 3.75Å; L132-Y166 HydrophobicContact CD1-CE1 3.94Å; L132-Y166 HydrophobicContact CD1-CE2 4.2Å; L132-Y166 HydrophobicContact CD1-CG 3.37Å; L132-Y166 HydrophobicContact CG-CD1 4.41Å; L132-Y166 HydrophobicContact CG-CE1 4.48Å; Y162-Y166 PolarHBondContact O-N 2.99Å; I163-Y166 WeakPolarHBondContact O-CB 3.48Å; I163-Y166 PolarHBondContact O-N 3.44Å; L164-Y166 VanDerWaalsContact C-N 3.29Å; L164-Y166 PolarHBondContact O-N 3.07Å; Y166-K168 PolarHBondContact O-N 3.25Å; Y166-N169 PolarHBondContact O-N 3.43Å; Y166-T170 HydrophobicContact CD2-CG2 3.79Å; Y166-T170 HydrophobicContact CE1-CG2 4.46Å; Y166-T170 HydrophobicContact CE2-CG2 3.27Å; Y166-T170 PolarHBondContact O-N 3.05Å; Y166-T170 PolarHBondContact O-OG1 3.44Å; Y166-T170 VanDerWaalsContact O-OG1 3.12Å
167	L	89.1	Confident	87	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-37.1	-177.7	-70.4	176.8	0	0	0	112.3	L136 I163 L164 Q171 Q172 L173 T177 L452	L136-L167 HydrophobicContact CD1-CD2 3.88Å; L136-L167 HydrophobicContact CD2-CD1 3.62Å; L136-L167 HydrophobicContact CD2-CD2 3.82Å; L136-L167 HydrophobicContact CD2-CG 3.85Å; I163-L167 HydrophobicContact CG2-CD1 4.46Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; I163-L167 PolarHBondContact O-N 2.9Å; L164-L167 PolarHBondContact O-N 3.34Å; L167-Q171 PolarHBondContact O-N 2.97Å; L167-Q172 HydrophobicContact CD2-CB 4.01Å; L167-Q172 PolarHBondContact O-N 3.02Å; L167-L173 HydrophobicContact CB-CB 3.87Å; L167-L173 HydrophobicContact CB-CD1 4.08Å; L167-L173 HydrophobicContact CD1-CD1 3.92Å; L167-L173 PolarHBondContact O-N 3.3Å; L167-L173 VanDerWaalsContact O-N 3.11Å; L167-T177 HydrophobicContact CD1-CG2 4Å; L167-L452 HydrophobicContact CD2-CD1 4.09Å
168	K	90.6	Very high	87	Confident	99 Å²	99	44.9 Å²	44.9	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-66.1	-48.3	176	-177.5	-178.9	176	-176.6	0	111.1	L164 H165 Y166 Q171 L173 F228	L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 PolarHBondContact O-N 2.9Å; H165-K168 PolarHBondContact O-N 3.17Å; Y166-K168 PolarHBondContact O-N 3.25Å; K168-Q171 PolarHBondContact O-N 2.94Å; K168-L173 HydrophobicContact CB-CD2 4.43Å; K168-F228 HydrophobicContact CB-CE1 4.31Å; K168-F228 HydrophobicContact CD-CE1 3.85Å; K168-F228 HydrophobicContact CD-CZ 4.17Å
169	N	89.6	Confident	87.1	Confident	95 Å²	95	51.3 Å²	51.3	51%	0.508	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-34.3	-177	-69.3	-8.8	0	0	0	112.3	H165 Y166 Q171	H165-N169 WeakPolarHBondContact O-CB 3.39Å; H165-N169 PolarHBondContact O-N 3.03Å; H165-N169 PolarHBondContact O-ND2 3.38Å; H165-N169 PolarHBondContact O-OD1 3.48Å; Y166-N169 PolarHBondContact O-N 3.43Å; N169-Q171 VanDerWaalsContact C-N 3.29Å
170	T	86.8	Confident	87.1	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.055	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.2	174.7	64.2	0	0	0	0	113.7	Y166 Q172 F425	Y166-T170 HydrophobicContact CD2-CG2 3.79Å; Y166-T170 HydrophobicContact CE1-CG2 4.46Å; Y166-T170 HydrophobicContact CE2-CG2 3.27Å; Y166-T170 PolarHBondContact O-N 3.05Å; Y166-T170 PolarHBondContact O-OG1 3.44Å; Y166-T170 VanDerWaalsContact O-OG1 3.12Å; T170-Q172 PolarHBondContact O-N 3.37Å; T170-Q172 WeakPolarHBondContact OG1-CG 3.26Å; T170-Q172 PolarHBondContact OG1-NE2 3.21Å; T170-F425 HydrophobicContact CG2-CB 3.88Å; T170-F425 HydrophobicContact CG2-CD1 4.2Å; T170-F425 HydrophobicContact CG2-CD2 3.8Å; T170-F425 HydrophobicContact CG2-CE2 4.39Å; T170-F425 HydrophobicContact CG2-CG 3.69Å
171	Q	87.6	Confident	87.1	Confident	186 Å²	186	54.4 Å²	54.4	87%	0.869	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	27.7	-177.6	-51.4	177.3	13.3	0	0	114.4	L167 K168 N169	L167-Q171 PolarHBondContact O-N 2.97Å; K168-Q171 PolarHBondContact O-N 2.94Å; N169-Q171 VanDerWaalsContact C-N 3.29Å
172	Q	85.1	Confident	87.1	Confident	36 Å²	36	59 Å²	59	17%	0.168	30%	0.304	C	S	.	.			trans	-101.9	4.4	179.5	-61.6	-177.2	100.3	0	0	112.7	L167 T170 T174 F425 L452	L167-Q172 HydrophobicContact CD2-CB 4.01Å; L167-Q172 PolarHBondContact O-N 3.02Å; T170-Q172 PolarHBondContact O-N 3.37Å; T170-Q172 WeakPolarHBondContact OG1-CG 3.26Å; T170-Q172 PolarHBondContact OG1-NE2 3.21Å; Q172-T174 PolarHBondContact O-N 3.05Å; Q172-F425 HydrophobicContact CG-CE2 4.34Å; Q172-F425 HydrophobicContact CG-CZ 4.06Å; Q172-L452 HydrophobicContact CB-CD1 3.98Å
173	L	86.8	Confident	87.1	Confident	41 Å²	41	63.1 Å²	63.1	22%	0.215	33%	0.327	C	S	.	.			trans	-76.4	106.2	-179.1	-176.2	61.3	0	0	0	111.7	L164 L167 K168 T177 K178	L164-L173 HydrophobicContact CD2-CD1 3.81Å; L167-L173 HydrophobicContact CB-CB 3.87Å; L167-L173 HydrophobicContact CB-CD1 4.08Å; L167-L173 HydrophobicContact CD1-CD1 3.92Å; L167-L173 PolarHBondContact O-N 3.3Å; L167-L173 VanDerWaalsContact O-N 3.11Å; K168-L173 HydrophobicContact CB-CD2 4.43Å; L173-T177 HydrophobicContact CD1-CG2 4.16Å; L173-K178 HydrophobicContact CD1-CB 4.18Å; L173-K178 HydrophobicContact CD2-CB 4.26Å; L173-K178 HydrophobicContact CD2-CD 4.34Å; L173-K178 HydrophobicContact CD2-CG 4.25Å; L173-K178 HydrophobicContact CG-CB 4.14Å
174	T	85.8	Confident	87.1	Confident	66 Å²	66	64.7 Å²	64.7	41%	0.405	33%	0.334	S	S	.	.			trans	-77.6	154.5	175.9	72.9	0	0	0	0	112.1	Q172 A176 T177 K178	Q172-T174 PolarHBondContact O-N 3.05Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 3.39Å; T174-T177 PolarHBondContact O-N 3.29Å; T174-T177 WeakPolarHBondContact OG1-CB 3.44Å; T174-T177 PolarHBondContact OG1-N 3.48Å; T174-T177 PolarHBondContact OG1-OG1 2.9Å; T174-K178 WeakPolarHBondContact O-CB 3.32Å; T174-K178 PolarHBondContact O-N 3.21Å
175	P	88.3	Confident	87.1	Confident	111 Å²	111	64.5 Å²	64.5	72%	0.721	33%	0.332	S	S	*	.	H	α-helix	trans	-56.9	-41.9	175.6	-26.9	35.5	0	0	0	113.6	K178 E179	P175-K178 WeakPolarHBondContact O-CB 3.48Å; P175-K178 PolarHBondContact O-N 2.97Å; P175-E179 PolarHBondContact O-N 3.34Å
176	A	86.1	Confident	87.2	Confident	71 Å²	71	64.3 Å²	64.3	59%	0.587	33%	0.334	S	S	*	.	H	α-helix	trans	-63.7	-44.8	179.2	0	0	0	0	0	112.2	T174 K178 E179 K180	T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 3.39Å; A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 2.88Å; A176-E179 PolarHBondContact O-N 2.86Å; A176-K180 WeakPolarHBondContact O-CB 3.27Å; A176-K180 PolarHBondContact O-N 3.19Å; A176-K180 VanDerWaalsContact O-N 3.09Å
177	T	81.7	Confident	87.2	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.264	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-39.1	175.8	-59.5	0	0	0	0	111.2	L139 L167 L173 T174 A181	L139-T177 HydrophobicContact CD2-CG2 4Å; L167-T177 HydrophobicContact CD1-CG2 4Å; L173-T177 HydrophobicContact CD1-CG2 4.16Å; T174-T177 PolarHBondContact O-N 3.29Å; T174-T177 WeakPolarHBondContact OG1-CB 3.44Å; T174-T177 PolarHBondContact OG1-N 3.48Å; T174-T177 PolarHBondContact OG1-OG1 2.9Å; T177-A181 VanDerWaalsContact O-CB 3.24Å; T177-A181 WeakPolarHBondContact O-CB 3.28Å; T177-A181 PolarHBondContact O-N 2.97Å
178	K	86.4	Confident	87.2	Confident	122 Å²	122	65.6 Å²	65.6	53%	0.53	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-46.4	177.2	-174.9	-179.2	178.4	-176.7	0	112.3	L173 T174 P175 A176 A181 F182	L173-K178 HydrophobicContact CD1-CB 4.18Å; L173-K178 HydrophobicContact CD2-CB 4.26Å; L173-K178 HydrophobicContact CD2-CD 4.34Å; L173-K178 HydrophobicContact CD2-CG 4.25Å; L173-K178 HydrophobicContact CG-CB 4.14Å; T174-K178 WeakPolarHBondContact O-CB 3.32Å; T174-K178 PolarHBondContact O-N 3.21Å; P175-K178 WeakPolarHBondContact O-CB 3.48Å; P175-K178 PolarHBondContact O-N 2.97Å; A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 2.88Å; K178-A181 PolarHBondContact O-N 3.42Å; K178-F182 WeakPolarHBondContact O-CB 3.5Å; K178-F182 PolarHBondContact O-N 3.43Å
179	E	88.6	Confident	87.3	Confident	135 Å²	135	62 Å²	62	63%	0.631	33%	0.328	S	S	*	.	H	α-helix	trans	-63.8	-46.1	178.4	-176.3	-179.9	-178.9	0	0	111.6	P175 A176 A181 F182 N183	P175-E179 PolarHBondContact O-N 3.34Å; A176-E179 PolarHBondContact O-N 2.86Å; E179-A181 VanDerWaalsContact C-N 3.34Å; E179-A181 PolarHBondContact O-N 2.91Å; E179-F182 WeakPolarHBondContact O-CB 3.38Å; E179-F182 PolarHBondContact O-N 3.15Å; E179-N183 PolarHBondContact O-N 3.02Å; E179-N183 VanDerWaalsContact O-N 3.15Å; E179-N183 PolarHBondContact O-ND2 3.12Å
180	K	83.7	Confident	87.5	Confident	71 Å²	71	63.7 Å²	63.7	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-47.2	176.4	-174.1	175.6	-171.7	174.4	0	111.5	E140 A176 N183 F184	E140-K180 VanDerWaalsContact CG-NZ 3.3Å; E140-K180 IonicContact OE1-NZ 2.75Å; E140-K180 PolarHBondContact OE1-NZ 3.45Å; A176-K180 WeakPolarHBondContact O-CB 3.27Å; A176-K180 PolarHBondContact O-N 3.19Å; A176-K180 VanDerWaalsContact O-N 3.09Å; K180-N183 PolarHBondContact O-N 3.18Å; K180-F184 HydrophobicContact CD-CE2 4.16Å; K180-F184 HydrophobicContact CG-CD2 3.99Å; K180-F184 HydrophobicContact CG-CE2 3.53Å; K180-F184 HydrophobicContact CG-CZ 4.44Å; K180-F184 WeakPolarHBondContact O-CD2 3.4Å; K180-F184 PolarHBondContact O-N 3.18Å
181	A	84.1	Confident	87.6	Confident	2 Å²	2	67.3 Å²	67.3	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-37	178.5	0	0	0	0	0	112.6	L164 T177 K178 E179 N183 F184 L185	L164-A181 HydrophobicContact CD1-CB 3.54Å; L164-A181 HydrophobicContact CD2-CB 3.56Å; L164-A181 HydrophobicContact CG-CB 4.02Å; T177-A181 VanDerWaalsContact O-CB 3.24Å; T177-A181 WeakPolarHBondContact O-CB 3.28Å; T177-A181 PolarHBondContact O-N 2.97Å; K178-A181 PolarHBondContact O-N 3.42Å; E179-A181 VanDerWaalsContact C-N 3.34Å; E179-A181 PolarHBondContact O-N 2.91Å; A181-N183 VanDerWaalsContact C-N 3.31Å; A181-N183 PolarHBondContact O-N 3.47Å; A181-F184 PolarHBondContact O-N 3.01Å; A181-L185 WeakPolarHBondContact O-CB 3.07Å; A181-L185 WeakPolarHBondContact O-CG 2.98Å; A181-L185 PolarHBondContact O-N 3.21Å
182	F	89	Confident	87.9	Confident	98 Å²	98	58.4 Å²	58.4	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-55.8	-45.2	173.8	177.1	-87.6	0	0	0	111.7	K178 E179 S186 I229	K178-F182 WeakPolarHBondContact O-CB 3.5Å; K178-F182 PolarHBondContact O-N 3.43Å; E179-F182 WeakPolarHBondContact O-CB 3.38Å; E179-F182 PolarHBondContact O-N 3.15Å; F182-S186 WeakPolarHBondContact O-CB 3.29Å; F182-S186 PolarHBondContact O-N 3.24Å; F182-S186 PolarHBondContact O-OG 3.38Å; F182-I229 HydrophobicContact CD2-CG2 3.64Å; F182-I229 HydrophobicContact CE2-CB 4.47Å; F182-I229 HydrophobicContact CE2-CG2 3.92Å; F182-I229 HydrophobicContact CG-CG2 4.31Å
183	N	87.4	Confident	88.3	Confident	94 Å²	94	59 Å²	59	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-43.7	178.3	-70.2	-28.7	0	0	0	112	E179 K180 A181 S187	E179-N183 PolarHBondContact O-N 3.02Å; E179-N183 VanDerWaalsContact O-N 3.15Å; E179-N183 PolarHBondContact O-ND2 3.12Å; K180-N183 PolarHBondContact O-N 3.18Å; A181-N183 VanDerWaalsContact C-N 3.31Å; A181-N183 PolarHBondContact O-N 3.47Å; N183-S187 VanDerWaalsContact O-CB 3.25Å; N183-S187 WeakPolarHBondContact O-CB 3.45Å; N183-S187 PolarHBondContact O-N 3.47Å
184	F	84.7	Confident	88.5	Confident	36 Å²	36	62.9 Å²	62.9	16%	0.158	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-45.1	178.5	-69.6	-51.2	0	0	0	113.1	L143 M145 K180 A181 G188	L143-F184 HydrophobicContact CB-CD2 3.56Å; L143-F184 HydrophobicContact CB-CE2 3.55Å; L143-F184 HydrophobicContact CB-CG 4.05Å; L143-F184 HydrophobicContact CB-CZ 4.11Å; L143-F184 HydrophobicContact CD1-CD2 3.56Å; L143-F184 HydrophobicContact CD1-CE2 3.6Å; L143-F184 HydrophobicContact CD2-CB 3.92Å; L143-F184 HydrophobicContact CD2-CD2 3.57Å; L143-F184 HydrophobicContact CD2-CE2 4.34Å; L143-F184 HydrophobicContact CD2-CG 4.03Å; L143-F184 HydrophobicContact CG-CD2 3.81Å; L143-F184 HydrophobicContact CG-CE2 4.07Å; M145-F184 HydrophobicContact CG-CD1 4.1Å; M145-F184 HydrophobicContact CG-CE1 3.79Å; K180-F184 HydrophobicContact CD-CE2 4.16Å; K180-F184 HydrophobicContact CG-CD2 3.99Å; K180-F184 HydrophobicContact CG-CE2 3.53Å; K180-F184 HydrophobicContact CG-CZ 4.44Å; K180-F184 WeakPolarHBondContact O-CD2 3.4Å; K180-F184 PolarHBondContact O-N 3.18Å; A181-F184 PolarHBondContact O-N 3.01Å; F184-G188 PolarHBondContact O-N 3.43Å
185	L	89.8	Confident	88.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-43.3	177.1	-68.1	-173.4	0	0	0	111.3	L157 N160 I161 L164 A181 G188 Y189 F228 I229	L157-L185 HydrophobicContact CD1-CB 4.44Å; L157-L185 HydrophobicContact CD1-CD2 3.5Å; L157-L185 HydrophobicContact CG-CD2 4.44Å; N160-L185 HydrophobicContact CB-CD2 4.33Å; I161-L185 HydrophobicContact CD1-CD2 4.49Å; I161-L185 HydrophobicContact CG1-CD1 4.48Å; I161-L185 HydrophobicContact CG1-CD2 3.65Å; L164-L185 HydrophobicContact CD1-CD1 3.53Å; L164-L185 HydrophobicContact CD1-CG 4.26Å; A181-L185 WeakPolarHBondContact O-CB 3.07Å; A181-L185 WeakPolarHBondContact O-CG 2.98Å; A181-L185 PolarHBondContact O-N 3.21Å; L185-G188 PolarHBondContact O-N 3.37Å; L185-Y189 WeakPolarHBondContact O-CB 3.4Å; L185-Y189 PolarHBondContact O-N 2.97Å; L185-F228 HydrophobicContact CD1-CB 3.78Å; L185-F228 HydrophobicContact CD1-CD2 4.3Å; L185-F228 HydrophobicContact CD1-CG 4.33Å; L185-I229 HydrophobicContact CB-CD1 3.84Å; L185-I229 HydrophobicContact CB-CG1 4.26Å; L185-I229 HydrophobicContact CB-CG2 3.73Å; L185-I229 HydrophobicContact CD1-CG2 4.29Å
186	S	91.5	Very high	88.9	Confident	25 Å²	25	57.7 Å²	57.7	18%	0.175	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-44.6	179.6	-61.2	0	0	0	0	111.8	F182 Y189 Q190	F182-S186 WeakPolarHBondContact O-CB 3.29Å; F182-S186 PolarHBondContact O-N 3.24Å; F182-S186 PolarHBondContact O-OG 3.38Å; S186-Y189 PolarHBondContact O-N 3.49Å; S186-Q190 WeakPolarHBondContact O-CG 3.47Å; S186-Q190 PolarHBondContact O-N 2.84Å
187	S	88.3	Confident	89.2	Confident	37 Å²	37	56.5 Å²	56.5	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-45.6	175.6	-178.9	0	0	0	0	111.6	N183 Y189 Q190 R191	N183-S187 VanDerWaalsContact O-CB 3.25Å; N183-S187 WeakPolarHBondContact O-CB 3.45Å; N183-S187 PolarHBondContact O-N 3.47Å; S187-Y189 PolarHBondContact O-N 3.34Å; S187-Q190 PolarHBondContact O-N 2.94Å; S187-R191 VanDerWaalsContact O-CB 3.29Å; S187-R191 WeakPolarHBondContact O-CB 3.38Å; S187-R191 PolarHBondContact O-N 3.14Å
188	G	89.1	Confident	89.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-38.2	177.7	0	0	0	0	0	113.3	N153 F184 L185 Q192	N153-G188 PolarHBondContact ND2-O 3.34Å; F184-G188 PolarHBondContact O-N 3.43Å; L185-G188 PolarHBondContact O-N 3.37Å; G188-Q192 WeakPolarHBondContact O-CB 3.27Å; G188-Q192 PolarHBondContact O-N 2.87Å
189	Y	93.9	Very high	89.8	Confident	22 Å²	22	62.2 Å²	62.2	9%	0.086	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-54.9	172.4	170.3	-116.9	0	0	0	111.4	L185 S186 S187 R191 Q192 L193 F222 I229 I231 D232 N235	L185-Y189 WeakPolarHBondContact O-CB 3.4Å; L185-Y189 PolarHBondContact O-N 2.97Å; S186-Y189 PolarHBondContact O-N 3.49Å; S187-Y189 PolarHBondContact O-N 3.34Å; Y189-R191 VanDerWaalsContact C-N 3.29Å; Y189-R191 PolarHBondContact O-N 3.47Å; Y189-Q192 PolarHBondContact O-N 3.42Å; Y189-Q192 VanDerWaalsContact O-N 3.14Å; Y189-L193 HydrophobicContact CE1-CD1 3.99Å; Y189-L193 HydrophobicContact CE2-CD1 4.23Å; Y189-L193 HydrophobicContact CE2-CD2 4.01Å; Y189-L193 HydrophobicContact CE2-CG 4.19Å; Y189-L193 WeakPolarHBondContact O-CG 3.24Å; Y189-L193 PolarHBondContact O-N 3.16Å; Y189-F222 HydrophobicContact CD2-CD1 4.35Å; Y189-F222 HydrophobicContact CD2-CD2 4.01Å; Y189-F222 AromaticContact CD2-CE1 3.91Å; Y189-F222 HydrophobicContact CD2-CE1 3.91Å; Y189-F222 AromaticContact CD2-CE2 3.53Å; Y189-F222 HydrophobicContact CD2-CE2 3.53Å; Y189-F222 HydrophobicContact CD2-CG 4.39Å; Y189-F222 AromaticContact CD2-CZ 3.48Å; Y189-F222 HydrophobicContact CD2-CZ 3.48Å; Y189-F222 VanDerWaalsContact CD2-CZ 3.48Å; Y189-F222 AromaticContact CE2-CD2 3.85Å; Y189-F222 HydrophobicContact CE2-CD2 3.85Å; Y189-F222 AromaticContact CE2-CE2 3.49Å; Y189-F222 HydrophobicContact CE2-CE2 3.49Å; Y189-F222 VanDerWaalsContact CE2-CE2 3.49Å; Y189-F222 AromaticContact CE2-CZ 3.94Å; Y189-F222 HydrophobicContact CE2-CZ 3.94Å; Y189-I229 HydrophobicContact CG-CD1 4.47Å; Y189-I231 HydrophobicContact CD1-CD1 4.13Å; Y189-I231 HydrophobicContact CD2-CD1 3.43Å; Y189-I231 VanDerWaalsContact CD2-CD1 3.43Å; Y189-I231 HydrophobicContact CE1-CD1 4.34Å; Y189-I231 HydrophobicContact CE2-CD1 3.69Å; Y189-I231 HydrophobicContact CE2-CG2 3.83Å; Y189-I231 HydrophobicContact CG-CD1 3.66Å; Y189-D232 PolarHBondContact OH-N 2.88Å; Y189-N235 PolarHBondContact OH-ND2 2.74Å
190	Q	92.3	Very high	89.9	Confident	131 Å²	131	55.8 Å²	55.8	61%	0.612	26%	0.261	S	S	*	.	H	α-helix	trans	-59	-41.9	179.8	-72.8	179.7	1.6	0	0	111.9	S186 S187 L193	S186-Q190 WeakPolarHBondContact O-CG 3.47Å; S186-Q190 PolarHBondContact O-N 2.84Å; S187-Q190 PolarHBondContact O-N 2.94Å; Q190-L193 PolarHBondContact O-N 3.19Å
191	R	89.8	Confident	90.4	Very high	85 Å²	85	52.4 Å²	52.4	32%	0.321	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-41.8	177.1	-177.4	174.3	-76.8	-124.9	8.9	111.8	P146 N153 S187 Y189 L193 N194 Y195	P146-R191 WeakPolarHBondContact O-CD 3.28Å; P146-R191 VanDerWaalsContact O-CZ 3.28Å; P146-R191 PolarHBondContact O-NE 3.11Å; N153-R191 WeakPolarHBondContact OD1-CD 3.37Å; N153-R191 WeakPolarHBondContact OD1-CG 3.49Å; S187-R191 VanDerWaalsContact O-CB 3.29Å; S187-R191 WeakPolarHBondContact O-CB 3.38Å; S187-R191 PolarHBondContact O-N 3.14Å; Y189-R191 VanDerWaalsContact C-N 3.29Å; Y189-R191 PolarHBondContact O-N 3.47Å; R191-L193 PolarHBondContact O-N 3.33Å; R191-N194 WeakPolarHBondContact O-CB 3.05Å; R191-N194 PolarHBondContact O-N 3.36Å; R191-N194 VanDerWaalsContact O-N 3.16Å; R191-N194 PolarHBondContact O-ND2 3.02Å; R191-N194 VanDerWaalsContact O-ND2 3.14Å; R191-Y195 HydrophobicContact CG-CE2 4.33Å
192	Q	93.2	Very high	90.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-31.1	-179.8	-169.1	61.3	25.4	0	0	112.6	G150 N153 M154 G188 Y189 N194 Y195 Y202 V218 F222	G150-Q192 PolarHBondContact O-NE2 3.23Å; G150-Q192 PolarHBondContact O-OE1 3.22Å; N153-Q192 WeakPolarHBondContact ND2-CB 3.28Å; N153-Q192 PolarHBondContact ND2-OE1 3.17Å; M154-Q192 HydrophobicContact CG-CG 4.36Å; M154-Q192 HydrophobicContact SD-CG 3.86Å; G188-Q192 WeakPolarHBondContact O-CB 3.27Å; G188-Q192 PolarHBondContact O-N 2.87Å; Y189-Q192 PolarHBondContact O-N 3.42Å; Y189-Q192 VanDerWaalsContact O-N 3.14Å; Q192-N194 PolarHBondContact O-N 3.41Å; Q192-Y195 WeakPolarHBondContact O-CB 3.44Å; Q192-Y195 PolarHBondContact O-N 3.46Å; Q192-Y202 HydrophobicContact CG-CD1 4.12Å; Q192-Y202 HydrophobicContact CG-CE1 3.89Å; Q192-Y202 WeakPolarHBondContact O-CE1 3.34Å; Q192-V218 HydrophobicContact CG-CG1 4.03Å; Q192-V218 HydrophobicContact CG-CG2 4.18Å; Q192-F222 HydrophobicContact CB-CE1 4.23Å; Q192-F222 HydrophobicContact CB-CZ 3.75Å; Q192-F222 HydrophobicContact CG-CE1 4.13Å; Q192-F222 HydrophobicContact CG-CZ 3.67Å
193	L	93.6	Very high	90.7	Very high	49 Å²	49	48 Å²	48	26%	0.257	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-25	177	-66.5	177.7	0	0	0	113	Y189 Q190 R191 Y195 K196 F222	Y189-L193 HydrophobicContact CE1-CD1 3.99Å; Y189-L193 HydrophobicContact CE2-CD1 4.23Å; Y189-L193 HydrophobicContact CE2-CD2 4.01Å; Y189-L193 HydrophobicContact CE2-CG 4.19Å; Y189-L193 WeakPolarHBondContact O-CG 3.24Å; Y189-L193 PolarHBondContact O-N 3.16Å; Q190-L193 PolarHBondContact O-N 3.19Å; R191-L193 PolarHBondContact O-N 3.33Å; L193-Y195 PolarHBondContact O-N 3.41Å; L193-K196 HydrophobicContact CD2-CD 4.48Å; L193-K196 WeakPolarHBondContact O-CB 2.73Å; L193-K196 PolarHBondContact O-N 3.32Å; L193-F222 HydrophobicContact CD2-CE2 4.42Å
194	N	90.6	Very high	90.2	Very high	121 Å²	121	43.8 Å²	43.8	65%	0.647	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.7	174.3	-60.5	-50.2	0	0	0	113	R191 Q192	R191-N194 WeakPolarHBondContact O-CB 3.05Å; R191-N194 PolarHBondContact O-N 3.36Å; R191-N194 VanDerWaalsContact O-N 3.16Å; R191-N194 PolarHBondContact O-ND2 3.02Å; R191-N194 VanDerWaalsContact O-ND2 3.14Å; Q192-N194 PolarHBondContact O-N 3.41Å
195	Y	90.4	Very high	89.8	Confident	36 Å²	36	44.6 Å²	44.6	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5.7	-179.4	-55.6	-60.1	0	0	0	113.6	G148 R191 Q192 L193 Y202 S203	G148-Y195 PolarHBondContact O-OH 3.41Å; R191-Y195 HydrophobicContact CG-CE2 4.33Å; Q192-Y195 WeakPolarHBondContact O-CB 3.44Å; Q192-Y195 PolarHBondContact O-N 3.46Å; L193-Y195 PolarHBondContact O-N 3.41Å; Y195-Y202 WeakPolarHBondContact O-CA 3.33Å; Y195-S203 WeakPolarHBondContact CB-O 3.37Å; Y195-S203 PolarHBondContact O-N 3.34Å
196	K	93.1	Very high	89.2	Confident	33 Å²	33	46 Å²	46	14%	0.143	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-92.4	133.3	178.6	-167.8	-174.5	173.2	169.2	0	110.4	L193 G200 A201 Y202 N235	L193-K196 HydrophobicContact CD2-CD 4.48Å; L193-K196 WeakPolarHBondContact O-CB 2.73Å; L193-K196 PolarHBondContact O-N 3.32Å; K196-G200 VanDerWaalsContact CE-CA 3.42Å; K196-A201 CarbonylContact C-O 3.52Å; K196-A201 WeakPolarHBondContact CA-O 3.07Å; K196-Y202 HydrophobicContact CB-CD1 3.97Å; K196-Y202 HydrophobicContact CB-CE1 3.59Å; K196-Y202 HydrophobicContact CD-CE1 4.37Å; K196-Y202 HydrophobicContact CD-CE2 4.36Å; K196-Y202 HydrophobicContact CG-CD1 4.45Å; K196-Y202 HydrophobicContact CG-CE1 4Å; K196-Y202 HydrophobicContact CG-CE2 4.15Å; K196-N235 VanDerWaalsContact NZ-CA 3.33Å; K196-N235 PolarHBondContact NZ-O 3.32Å; K196-N235 PolarHBondContact NZ-OD1 2.96Å
197	D	91.8	Very high	88.3	Confident	45 Å²	45	49.2 Å²	49.2	24%	0.241	25%	0.247	C	C	.	.			trans	-83.6	179.5	172.8	72.5	21	0	0	0	112.8	E199 G200 A201	D197-E199 VanDerWaalsContact C-N 3.31Å; D197-E199 PolarHBondContact O-N 3.26Å; D197-E199 WeakPolarHBondContact OD1-CA 3.2Å; D197-E199 PolarHBondContact OD1-N 3.15Å; D197-G200 PolarHBondContact O-N 2.88Å; D197-G200 PolarHBondContact OD1-N 3.25Å; D197-A201 PolarHBondContact N-O 3.06Å; D197-A201 PolarHBondContact OD1-N 3.28Å; D197-A201 VanDerWaalsContact OD2-CB 3.26Å; D197-A201 WeakPolarHBondContact OD2-CB 3.26Å
198	Y	90.3	Very high	87.7	Confident	193 Å²	193	50.2 Å²	50.2	76%	0.757	26%	0.262	S	S	*	.	S	Bend	trans	-68.7	-27.8	-179	75.4	-89.9	0	0	0	113.4	G200	Y198-G200 VanDerWaalsContact C-N 3.35Å
199	E	90.1	Very high	87.4	Confident	92 Å²	92	54.7 Å²	54.7	43%	0.43	29%	0.292	S	S	.	.	S	Bend	trans	-81.7	-19.5	179.6	-57.2	-168.2	161.7	0	0	112.1	D197 W242	D197-E199 VanDerWaalsContact C-N 3.31Å; D197-E199 PolarHBondContact O-N 3.26Å; D197-E199 WeakPolarHBondContact OD1-CA 3.2Å; D197-E199 PolarHBondContact OD1-N 3.15Å; E199-W242 PolarHBondContact OE2-NE1 3.38Å
200	G	91.8	Very high	87.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	109.3	6.1	177.7	0	0	0	0	0	114.8	K196 D197 Y198 S239	K196-G200 VanDerWaalsContact CE-CA 3.42Å; D197-G200 PolarHBondContact O-N 2.88Å; D197-G200 PolarHBondContact OD1-N 3.25Å; Y198-G200 VanDerWaalsContact C-N 3.35Å; G200-S239 WeakPolarHBondContact O-CA 3.43Å; G200-S239 VanDerWaalsContact O-CB 3.31Å; G200-S239 WeakPolarHBondContact O-CB 3.36Å; G200-S239 PolarHBondContact O-OG 3.25Å; G200-S239 VanDerWaalsContact O-OG 3.11Å
201	A	94.3	Very high	87	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.			trans	-80.6	152	175.3	0	0	0	0	0	111.3	K196 D197 W242	K196-A201 CarbonylContact C-O 3.52Å; K196-A201 WeakPolarHBondContact CA-O 3.07Å; D197-A201 PolarHBondContact N-O 3.06Å; D197-A201 PolarHBondContact OD1-N 3.28Å; D197-A201 VanDerWaalsContact OD2-CB 3.26Å; D197-A201 WeakPolarHBondContact OD2-CB 3.26Å; A201-W242 HydrophobicContact CB-CD2 3.52Å; A201-W242 HydrophobicContact CB-CE3 3.86Å; A201-W242 HydrophobicContact CB-CG 4.08Å; A201-W242 HydrophobicContact CB-CH2 3.81Å; A201-W242 HydrophobicContact CB-CZ2 3.49Å; A201-W242 VanDerWaalsContact CB-CZ2 3.49Å; A201-W242 HydrophobicContact CB-CZ3 3.99Å
202	Y	92.5	Very high	87.1	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-103.1	141.4	170.9	-68.1	-93.6	0	0	0	110.5	Q192 Y195 K196 N211 T215 V218 F222	Q192-Y202 HydrophobicContact CG-CD1 4.12Å; Q192-Y202 HydrophobicContact CG-CE1 3.89Å; Q192-Y202 WeakPolarHBondContact O-CE1 3.34Å; Y195-Y202 WeakPolarHBondContact O-CA 3.33Å; K196-Y202 HydrophobicContact CB-CD1 3.97Å; K196-Y202 HydrophobicContact CB-CE1 3.59Å; K196-Y202 HydrophobicContact CD-CE1 4.37Å; K196-Y202 HydrophobicContact CD-CE2 4.36Å; K196-Y202 HydrophobicContact CG-CD1 4.45Å; K196-Y202 HydrophobicContact CG-CE1 4Å; K196-Y202 HydrophobicContact CG-CE2 4.15Å; Y202-N211 PolarHBondContact O-N 2.91Å; Y202-T215 HydrophobicContact CD2-CG2 4.17Å; Y202-T215 PolarHBondContact N-OG1 3.19Å; Y202-V218 HydrophobicContact CD1-CG1 4.14Å; Y202-V218 HydrophobicContact CD1-CG2 4.23Å; Y202-V218 HydrophobicContact CD2-CB 3.99Å; Y202-V218 HydrophobicContact CD2-CG1 3.87Å; Y202-V218 HydrophobicContact CD2-CG2 4.28Å; Y202-V218 HydrophobicContact CE1-CG1 3.83Å; Y202-V218 HydrophobicContact CE2-CB 4.16Å; Y202-V218 HydrophobicContact CE2-CG1 3.56Å; Y202-V218 HydrophobicContact CG-CB 4.22Å; Y202-V218 HydrophobicContact CG-CG1 4.15Å; Y202-V218 HydrophobicContact CG-CG2 3.99Å; Y202-F222 WeakPolarHBondContact OH-CE2 3.49Å
203	S	86.6	Confident	87	Confident	8 Å²	8	44 Å²	44	6%	0.056	25%	0.248	C	C	.	.			trans	-125.8	162.1	173.9	61.5	0	0	0	0	110.5	Y195 F205 G206 S207	Y195-S203 WeakPolarHBondContact CB-O 3.37Å; Y195-S203 PolarHBondContact O-N 3.34Å; S203-F205 VanDerWaalsContact C-N 3.31Å; S203-F205 PolarHBondContact O-N 2.81Å; S203-G206 WeakPolarHBondContact OG-CA 3.43Å; S203-G206 PolarHBondContact OG-N 3.21Å; S203-S207 PolarHBondContact OG-N 3.44Å
204	T	76.6	Confident	86.8	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.031	24%	0.236	C	C	.	.	S	Bend	trans	-60.7	-41	-177.1	-47.6	0	0	0	0	112	C149 G150 E151 F260	C149-T204 HydrophobicContact CB-CG2 4.19Å; C149-T204 VanDerWaalsContact CB-O 3.28Å; C149-T204 WeakPolarHBondContact CB-O 3.26Å; G150-T204 PolarHBondContact N-O 3.41Å; E151-T204 HydrophobicContact CB-CG2 4.21Å; E151-T204 HydrophobicContact CG-CG2 3.76Å; E151-T204 WeakPolarHBondContact OE1-CG2 3.28Å; E151-T204 PolarHBondContact OE1-OG1 2.89Å; T204-F260 HydrophobicContact CG2-CD2 3.96Å
205	F	75.6	Confident	87	Confident	53 Å²	53	35.9 Å²	35.9	23%	0.232	21%	0.205	C	C	.	.	S	Bend	trans	-115.1	7.9	-174.2	-59	-72.5	0	0	0	113.7	C149 S203 S207 F260	C149-F205 HydrophobicContact CB-CD1 3.86Å; C149-F205 HydrophobicContact CB-CE1 3.83Å; S203-F205 VanDerWaalsContact C-N 3.31Å; S203-F205 PolarHBondContact O-N 2.81Å; F205-S207 PolarHBondContact O-N 2.94Å; F205-F260 HydrophobicContact CD2-CD2 4.46Å; F205-F260 HydrophobicContact CD2-CE2 4.06Å; F205-F260 AromaticContact CE2-CD2 3.67Å; F205-F260 HydrophobicContact CE2-CD2 3.67Å; F205-F260 AromaticContact CE2-CE2 3.48Å; F205-F260 HydrophobicContact CE2-CE2 3.48Å; F205-F260 VanDerWaalsContact CE2-CE2 3.48Å; F205-F260 HydrophobicContact CE2-CG 4.28Å; F205-F260 AromaticContact CE2-CZ 3.93Å; F205-F260 HydrophobicContact CE2-CZ 3.93Å; F205-F260 HydrophobicContact CZ-CD2 4.41Å
206	G	77.4	Confident	87.2	Confident	31 Å²	31	34.1 Å²	34.1	32%	0.32	20%	0.198	S	C	.	.	S	Bend	trans	73.4	1.7	-176.6	0	0	0	0	0	114.2	S203	S203-G206 WeakPolarHBondContact OG-CA 3.43Å; S203-G206 PolarHBondContact OG-N 3.21Å
207	S	73.4	Confident	87.1	Confident	92 Å²	92	32.6 Å²	32.6	64%	0.643	19%	0.191	S	C	*	.	S	Bend	trans	-131.4	151.2	174.3	58.3	0	0	0	0	110.2	S203 F205	S203-S207 PolarHBondContact OG-N 3.44Å; F205-S207 PolarHBondContact O-N 2.94Å
208	G	76.3	Confident	87.2	Confident	57 Å²	57	30.4 Å²	30.4	59%	0.588	18%	0.18	S	C	*	.	S	Bend	trans	92.9	-172	-176.6	0	0	0	0	0	113.8
209	P	82.9	Confident	87.5	Confident	95 Å²	95	21.3 Å²	21.3	62%	0.617	14%	0.144	S	C	*	.	S	Bend	trans	-68.3	135.9	-174.7	27.2	-33.9	0	0	0	111.9
210	G	86.5	Confident	87.6	Confident	7 Å²	7	17.1 Å²	17.1	7%	0.072	12%	0.124	C	C	.	.			trans	-55.3	139.3	173	0	0	0	0	0	112.7	S256	G210-S256 CarbonylContact O-C 3.57Å; G210-S256 PolarHBondContact O-OG 3.02Å
211	N	90.2	Very high	87.7	Confident	3 Å²	3	17.2 Å²	17.2	2%	0.016	13%	0.125	C	C	.	.			trans	-104.5	121.2	-174.8	-172.7	-56.5	0	0	0	111.2	Y202 W213 L214 T215 S256 K258 L259	Y202-N211 PolarHBondContact O-N 2.91Å; N211-W213 PolarHBondContact O-N 3.04Å; N211-W213 PolarHBondContact OD1-N 3.19Å; N211-W213 VanDerWaalsContact OD1-N 3.1Å; N211-L214 HydrophobicContact CB-CB 3.98Å; N211-L214 PolarHBondContact OD1-N 3.45Å; N211-L214 VanDerWaalsContact OD1-N 3.07Å; N211-T215 VanDerWaalsContact O-CB 3.24Å; N211-T215 WeakPolarHBondContact O-CB 3.07Å; N211-T215 PolarHBondContact O-N 3.28Å; N211-T215 PolarHBondContact O-OG1 3.36Å; N211-S256 WeakPolarHBondContact CA-O 3.36Å; N211-K258 VanDerWaalsContact ND2-C 3.32Å; N211-K258 PolarHBondContact ND2-O 3.04Å; N211-K258 VanDerWaalsContact ND2-O 3.14Å; N211-L259 WeakPolarHBondContact ND2-CD1 3.42Å; N211-L259 VanDerWaalsContact ND2-CG 3.29Å; N211-L259 WeakPolarHBondContact ND2-CG 3.43Å; N211-L259 PolarHBondContact ND2-N 3.44Å; N211-L259 WeakPolarHBondContact OD1-CD1 3.47Å
212	T	91.9	Very high	87.8	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-42.4	-174.3	41.8	0	0	0	0	113.3	S216 W242 Q246 K254 S256	T212-S216 WeakPolarHBondContact O-CB 3.39Å; T212-S216 PolarHBondContact O-N 3.4Å; T212-S216 VanDerWaalsContact O-N 3.15Å; T212-W242 HydrophobicContact CG2-CH2 3.8Å; T212-W242 HydrophobicContact CG2-CZ3 3.84Å; T212-Q246 HydrophobicContact CG2-CB 3.85Å; T212-Q246 HydrophobicContact CG2-CG 3.69Å; T212-K254 WeakPolarHBondContact CG2-O 3.16Å; T212-K254 PolarHBondContact OG1-O 3.34Å; T212-S256 PolarHBondContact N-O 2.92Å; T212-S256 PolarHBondContact OG1-N 3.19Å; T212-S256 VanDerWaalsContact OG1-N 3.12Å
213	W	90.8	Very high	87.9	Confident	1 Å²	1	19.5 Å²	19.5	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-49	178.1	-179.6	91.1	0	0	0	111.3	N211 T215 S216 F217 L259 M264 K265 L274 Y277	N211-W213 PolarHBondContact O-N 3.04Å; N211-W213 PolarHBondContact OD1-N 3.19Å; N211-W213 VanDerWaalsContact OD1-N 3.1Å; W213-T215 VanDerWaalsContact C-N 3.32Å; W213-T215 PolarHBondContact O-N 2.96Å; W213-S216 PolarHBondContact O-N 2.93Å; W213-F217 HydrophobicContact CE3-CB 4.43Å; W213-F217 HydrophobicContact CH2-CB 3.92Å; W213-F217 AromaticContact CH2-CD1 3.57Å; W213-F217 HydrophobicContact CH2-CD1 3.57Å; W213-F217 HydrophobicContact CH2-CD2 4.49Å; W213-F217 HydrophobicContact CH2-CE1 4.17Å; W213-F217 AromaticContact CH2-CG 3.75Å; W213-F217 HydrophobicContact CH2-CG 3.75Å; W213-F217 HydrophobicContact CZ2-CB 4.13Å; W213-F217 HydrophobicContact CZ2-CD1 4.4Å; W213-F217 HydrophobicContact CZ2-CG 4.14Å; W213-F217 HydrophobicContact CZ3-CB 4.1Å; W213-F217 AromaticContact CZ3-CD1 3.93Å; W213-F217 HydrophobicContact CZ3-CD1 3.93Å; W213-F217 HydrophobicContact CZ3-CG 4.25Å; W213-F217 PolarHBondContact O-N 2.9Å; W213-L259 HydrophobicContact CB-CD1 3.72Å; W213-L259 HydrophobicContact CD2-CD1 3.93Å; W213-L259 HydrophobicContact CE3-CD1 3.41Å; W213-L259 VanDerWaalsContact CE3-CD1 3.41Å; W213-L259 HydrophobicContact CE3-CD2 3.72Å; W213-L259 HydrophobicContact CE3-CG 4.24Å; W213-L259 HydrophobicContact CG-CD1 4.07Å; W213-L259 HydrophobicContact CZ3-CD1 4.36Å; W213-L259 HydrophobicContact CZ3-CD2 3.87Å; W213-M264 VanDerWaalsContact CH2-C 3.46Å; W213-M264 HydrophobicContact CH2-CB 3.55Å; W213-M264 HydrophobicContact CH2-CE 4.05Å; W213-M264 HydrophobicContact CH2-CG 3.99Å; W213-M264 WeakPolarHBondContact CH2-O 3.03Å; W213-M264 VanDerWaalsContact CZ2-C 3.42Å; W213-M264 HydrophobicContact CZ2-CB 4.39Å; W213-M264 WeakPolarHBondContact CZ2-O 3.42Å; W213-M264 HydrophobicContact CZ3-CB 3.71Å; W213-M264 HydrophobicContact CZ3-CE 3.95Å; W213-M264 HydrophobicContact CZ3-CG 4.25Å; W213-M264 HydrophobicContact CZ3-SD 4.46Å; W213-K265 HydrophobicContact CB-CG 4.45Å; W213-K265 HydrophobicContact CD2-CG 3.85Å; W213-K265 HydrophobicContact CE3-CG 4.35Å; W213-K265 HydrophobicContact CG-CG 3.84Å; W213-L274 HydrophobicContact CB-CD1 3.88Å; W213-Y277 AromaticContact CD1-CD1 3.98Å; W213-Y277 AromaticContact NE1-CD1 3.93Å; W213-Y277 AromaticContact NE1-CE1 3.75Å; W213-Y277 AromaticContact NE1-CE2 3.85Å; W213-Y277 AromaticContact NE1-CZ 3.7Å
214	L	90.1	Very high	88.2	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-40.7	-178	-179.2	61.9	0	0	0	111.1	E151 N211 S216 F217 V218 L259 M264	E151-L214 HydrophobicContact CG-CD1 4.38Å; E151-L214 HydrophobicContact CG-CD2 4.34Å; N211-L214 HydrophobicContact CB-CB 3.98Å; N211-L214 PolarHBondContact OD1-N 3.45Å; N211-L214 VanDerWaalsContact OD1-N 3.07Å; L214-S216 VanDerWaalsContact C-N 3.34Å; L214-S216 PolarHBondContact O-N 3.11Å; L214-F217 PolarHBondContact O-N 3.07Å; L214-V218 HydrophobicContact CD1-CG2 4.16Å; L214-V218 HydrophobicContact CG-CG2 4.31Å; L214-V218 WeakPolarHBondContact O-CB 3.46Å; L214-V218 WeakPolarHBondContact O-CG2 3.17Å; L214-V218 PolarHBondContact O-N 3.22Å; L214-L259 HydrophobicContact CB-CD1 4.49Å; L214-M264 HydrophobicContact CD1-CE 4.34Å
215	T	94.4	Very high	89	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-43.8	177	-57	0	0	0	0	111.2	Y202 N211 W213 L219 W242 L243	Y202-T215 HydrophobicContact CD2-CG2 4.17Å; Y202-T215 PolarHBondContact N-OG1 3.19Å; N211-T215 VanDerWaalsContact O-CB 3.24Å; N211-T215 WeakPolarHBondContact O-CB 3.07Å; N211-T215 PolarHBondContact O-N 3.28Å; N211-T215 PolarHBondContact O-OG1 3.36Å; W213-T215 VanDerWaalsContact C-N 3.32Å; W213-T215 PolarHBondContact O-N 2.96Å; T215-L219 VanDerWaalsContact O-CB 3.24Å; T215-L219 WeakPolarHBondContact O-CB 3.41Å; T215-L219 PolarHBondContact O-N 2.88Å; T215-W242 HydrophobicContact CG2-CE3 3.94Å; T215-W242 HydrophobicContact CG2-CZ3 4.18Å; T215-L243 HydrophobicContact CG2-CD1 4.14Å; T215-L243 HydrophobicContact CG2-CD2 4.24Å; T215-L243 HydrophobicContact CG2-CG 3.94Å
216	S	94.3	Very high	89.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-42.8	175.7	177.1	0	0	0	0	112.2	T212 W213 L214 L219 R220 A281	T212-S216 WeakPolarHBondContact O-CB 3.39Å; T212-S216 PolarHBondContact O-N 3.4Å; T212-S216 VanDerWaalsContact O-N 3.15Å; W213-S216 PolarHBondContact O-N 2.93Å; L214-S216 VanDerWaalsContact C-N 3.34Å; L214-S216 PolarHBondContact O-N 3.11Å; S216-L219 PolarHBondContact O-N 3.29Å; S216-R220 VanDerWaalsContact O-CB 3.29Å; S216-R220 WeakPolarHBondContact O-CB 3.38Å; S216-R220 PolarHBondContact O-N 3.07Å; S216-A281 WeakPolarHBondContact OG-CB 3.37Å
217	F	91.8	Very high	90.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-46.6	177.5	-179.1	-132.9	0	0	0	112.3	M154 A158 W213 L214 L219 R220 S221 M264 Y277 V411	M154-F217 HydrophobicContact CB-CD1 4Å; M154-F217 HydrophobicContact CB-CE1 3.62Å; M154-F217 HydrophobicContact CE-CD1 4.47Å; M154-F217 HydrophobicContact CE-CE1 4.29Å; M154-F217 HydrophobicContact CG-CD1 4.47Å; M154-F217 HydrophobicContact CG-CE1 4.5Å; A158-F217 HydrophobicContact CB-CE1 4.48Å; A158-F217 HydrophobicContact CB-CE2 4.01Å; A158-F217 HydrophobicContact CB-CZ 3.54Å; W213-F217 HydrophobicContact CE3-CB 4.43Å; W213-F217 HydrophobicContact CH2-CB 3.92Å; W213-F217 AromaticContact CH2-CD1 3.57Å; W213-F217 HydrophobicContact CH2-CD1 3.57Å; W213-F217 HydrophobicContact CH2-CD2 4.49Å; W213-F217 HydrophobicContact CH2-CE1 4.17Å; W213-F217 AromaticContact CH2-CG 3.75Å; W213-F217 HydrophobicContact CH2-CG 3.75Å; W213-F217 HydrophobicContact CZ2-CB 4.13Å; W213-F217 HydrophobicContact CZ2-CD1 4.4Å; W213-F217 HydrophobicContact CZ2-CG 4.14Å; W213-F217 HydrophobicContact CZ3-CB 4.1Å; W213-F217 AromaticContact CZ3-CD1 3.93Å; W213-F217 HydrophobicContact CZ3-CD1 3.93Å; W213-F217 HydrophobicContact CZ3-CG 4.25Å; W213-F217 PolarHBondContact O-N 2.9Å; L214-F217 PolarHBondContact O-N 3.07Å; F217-L219 PolarHBondContact O-N 3Å; F217-R220 PolarHBondContact O-N 3.31Å; F217-S221 PolarHBondContact O-N 3.45Å; F217-S221 PolarHBondContact O-OG 3.28Å; F217-M264 HydrophobicContact CD1-CE 3.78Å; F217-M264 HydrophobicContact CE1-CE 3.54Å; F217-Y277 HydrophobicContact CB-CE1 4.33Å; F217-Y277 WeakPolarHBondContact CD2-OH 2.9Å; F217-V411 HydrophobicContact CE2-CG1 4.06Å; F217-V411 HydrophobicContact CZ-CG1 4.37Å; F217-V411 HydrophobicContact CZ-CG2 4.18Å
218	V	94.3	Very high	91.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-47.9	175.7	173	0	0	0	0	110.6	M154 Q192 Y202 L214 R220 S221 F222	M154-V218 HydrophobicContact CE-CG2 4.5Å; M154-V218 HydrophobicContact CG-CG2 3.66Å; M154-V218 HydrophobicContact SD-CB 4.48Å; M154-V218 HydrophobicContact SD-CG1 4.49Å; M154-V218 HydrophobicContact SD-CG2 3.86Å; Q192-V218 HydrophobicContact CG-CG1 4.03Å; Q192-V218 HydrophobicContact CG-CG2 4.18Å; Y202-V218 HydrophobicContact CD1-CG1 4.14Å; Y202-V218 HydrophobicContact CD1-CG2 4.23Å; Y202-V218 HydrophobicContact CD2-CB 3.99Å; Y202-V218 HydrophobicContact CD2-CG1 3.87Å; Y202-V218 HydrophobicContact CD2-CG2 4.28Å; Y202-V218 HydrophobicContact CE1-CG1 3.83Å; Y202-V218 HydrophobicContact CE2-CB 4.16Å; Y202-V218 HydrophobicContact CE2-CG1 3.56Å; Y202-V218 HydrophobicContact CG-CB 4.22Å; Y202-V218 HydrophobicContact CG-CG1 4.15Å; Y202-V218 HydrophobicContact CG-CG2 3.99Å; L214-V218 HydrophobicContact CD1-CG2 4.16Å; L214-V218 HydrophobicContact CG-CG2 4.31Å; L214-V218 WeakPolarHBondContact O-CB 3.46Å; L214-V218 WeakPolarHBondContact O-CG2 3.17Å; L214-V218 PolarHBondContact O-N 3.22Å; V218-R220 PolarHBondContact O-N 3.36Å; V218-S221 PolarHBondContact O-N 3.39Å; V218-F222 HydrophobicContact CG1-CD1 4.09Å; V218-F222 HydrophobicContact CG1-CD2 3.91Å; V218-F222 HydrophobicContact CG1-CE1 3.82Å; V218-F222 HydrophobicContact CG1-CE2 3.62Å; V218-F222 HydrophobicContact CG1-CG 4.13Å; V218-F222 HydrophobicContact CG1-CZ 3.57Å; V218-F222 VanDerWaalsContact O-CB 3.31Å; V218-F222 WeakPolarHBondContact O-CB 3.11Å; V218-F222 WeakPolarHBondContact O-CD1 3.41Å; V218-F222 VanDerWaalsContact O-CG 3.31Å; V218-F222 WeakPolarHBondContact O-CG 3.34Å; V218-F222 PolarHBondContact O-N 3.34Å
219	L	94.9	Very high	92.5	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-47.8	-179.1	-175.3	63.8	0	0	0	111.7	T215 S216 F217 F222 F223 I236 R240 L243 F282 M285	T215-L219 VanDerWaalsContact O-CB 3.24Å; T215-L219 WeakPolarHBondContact O-CB 3.41Å; T215-L219 PolarHBondContact O-N 2.88Å; S216-L219 PolarHBondContact O-N 3.29Å; F217-L219 PolarHBondContact O-N 3Å; L219-F222 PolarHBondContact O-N 3.28Å; L219-F223 PolarHBondContact O-N 2.93Å; L219-I236 HydrophobicContact CD1-CB 4.04Å; L219-I236 HydrophobicContact CD1-CG1 4.36Å; L219-I236 HydrophobicContact CD1-CG2 3.57Å; L219-I236 WeakPolarHBondContact CD1-O 3.31Å; L219-R240 HydrophobicContact CD2-CB 4.17Å; L219-L243 HydrophobicContact CD2-CD1 3.91Å; L219-F282 HydrophobicContact CD2-CE1 3.97Å; L219-M285 HydrophobicContact CD1-CE 3.93Å; L219-M285 HydrophobicContact CD2-CE 3.98Å; L219-M285 HydrophobicContact CD2-SD 3.89Å; L219-M285 HydrophobicContact CG-CE 3.71Å; L219-M285 HydrophobicContact CG-SD 3.66Å
220	R	93.5	Very high	93.1	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-56.9	-52	175.6	-179	-171.4	177.7	-151.3	-2.3	111.8	S216 F217 V218 F223 Q224 A281 E284 Q415	S216-R220 VanDerWaalsContact O-CB 3.29Å; S216-R220 WeakPolarHBondContact O-CB 3.38Å; S216-R220 PolarHBondContact O-N 3.07Å; F217-R220 PolarHBondContact O-N 3.31Å; V218-R220 PolarHBondContact O-N 3.36Å; R220-F223 PolarHBondContact O-N 3.49Å; R220-Q224 WeakPolarHBondContact O-CG 3.45Å; R220-Q224 PolarHBondContact O-N 3Å; R220-A281 HydrophobicContact CB-CB 3.93Å; R220-A281 HydrophobicContact CG-CB 4.2Å; R220-E284 WeakPolarHBondContact CG-OE2 3.43Å; R220-E284 IonicContact CZ-OE1 2.9Å; R220-E284 IonicContact CZ-OE2 3.69Å; R220-E284 VanDerWaalsContact NE-CD 3.35Å; R220-E284 IonicContact NE-OE1 3.45Å; R220-E284 PolarHBondContact NE-OE1 3.08Å; R220-E284 IonicContact NE-OE2 3.61Å; R220-E284 PolarHBondContact NE-OE2 3.28Å; R220-E284 IonicContact NH2-OE1 2.74Å; R220-E284 PolarHBondContact NH2-OE1 3.01Å; R220-E284 IonicContact NH2-OE2 3.68Å; R220-E284 PolarHBondContact NH2-OE2 3.01Å; R220-Q415 VanDerWaalsContact NH2-CD 3.27Å
221	S	93.8	Very high	93.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-64.6	-41.3	-180	-63.4	0	0	0	0	112.3	M154 I161 F217 V218 F223 Q224 A225	M154-S221 WeakPolarHBondContact CE-OG 3.31Å; I161-S221 WeakPolarHBondContact CD1-O 3.43Å; F217-S221 PolarHBondContact O-N 3.45Å; F217-S221 PolarHBondContact O-OG 3.28Å; V218-S221 PolarHBondContact O-N 3.39Å; S221-F223 VanDerWaalsContact C-N 3.34Å; S221-F223 PolarHBondContact O-N 3.4Å; S221-Q224 PolarHBondContact O-N 2.97Å; S221-A225 WeakPolarHBondContact O-CB 3.29Å; S221-A225 PolarHBondContact O-N 2.94Å
222	F	95.3	Very high	93.7	Very high	3 Å²	3	24 Å²	24	1%	0.013	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-41.2	178.4	-80.4	11.3	0	0	0	112.1	M154 L157 Y189 Q192 L193 Y202 V218 L219 Q224 A225 Q226 I231	M154-F222 HydrophobicContact SD-CE1 4.24Å; L157-F222 HydrophobicContact CD2-CD1 4.36Å; L157-F222 HydrophobicContact CD2-CE1 3.91Å; Y189-F222 HydrophobicContact CD2-CD1 4.35Å; Y189-F222 HydrophobicContact CD2-CD2 4.01Å; Y189-F222 AromaticContact CD2-CE1 3.91Å; Y189-F222 HydrophobicContact CD2-CE1 3.91Å; Y189-F222 AromaticContact CD2-CE2 3.53Å; Y189-F222 HydrophobicContact CD2-CE2 3.53Å; Y189-F222 HydrophobicContact CD2-CG 4.39Å; Y189-F222 AromaticContact CD2-CZ 3.48Å; Y189-F222 HydrophobicContact CD2-CZ 3.48Å; Y189-F222 VanDerWaalsContact CD2-CZ 3.48Å; Y189-F222 AromaticContact CE2-CD2 3.85Å; Y189-F222 HydrophobicContact CE2-CD2 3.85Å; Y189-F222 AromaticContact CE2-CE2 3.49Å; Y189-F222 HydrophobicContact CE2-CE2 3.49Å; Y189-F222 VanDerWaalsContact CE2-CE2 3.49Å; Y189-F222 AromaticContact CE2-CZ 3.94Å; Y189-F222 HydrophobicContact CE2-CZ 3.94Å; Q192-F222 HydrophobicContact CB-CE1 4.23Å; Q192-F222 HydrophobicContact CB-CZ 3.75Å; Q192-F222 HydrophobicContact CG-CE1 4.13Å; Q192-F222 HydrophobicContact CG-CZ 3.67Å; L193-F222 HydrophobicContact CD2-CE2 4.42Å; Y202-F222 WeakPolarHBondContact OH-CE2 3.49Å; V218-F222 HydrophobicContact CG1-CD1 4.09Å; V218-F222 HydrophobicContact CG1-CD2 3.91Å; V218-F222 HydrophobicContact CG1-CE1 3.82Å; V218-F222 HydrophobicContact CG1-CE2 3.62Å; V218-F222 HydrophobicContact CG1-CG 4.13Å; V218-F222 HydrophobicContact CG1-CZ 3.57Å; V218-F222 VanDerWaalsContact O-CB 3.31Å; V218-F222 WeakPolarHBondContact O-CB 3.11Å; V218-F222 WeakPolarHBondContact O-CD1 3.41Å; V218-F222 VanDerWaalsContact O-CG 3.31Å; V218-F222 WeakPolarHBondContact O-CG 3.34Å; V218-F222 PolarHBondContact O-N 3.34Å; L219-F222 PolarHBondContact O-N 3.28Å; F222-Q224 VanDerWaalsContact C-N 3.35Å; F222-Q224 PolarHBondContact O-N 3.44Å; F222-A225 WeakPolarHBondContact O-CB 3.32Å; F222-A225 PolarHBondContact O-N 3.46Å; F222-Q226 PolarHBondContact O-N 2.98Å; F222-I231 HydrophobicContact CB-CG2 4.26Å; F222-I231 HydrophobicContact CD2-CG2 4.32Å
223	F	94.6	Very high	93.9	Very high	47 Å²	47	27.6 Å²	27.6	21%	0.206	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-47.6	173.8	-177	-93.1	0	0	0	111.5	L219 R220 S221 A225 Q226 E284 M285	L219-F223 PolarHBondContact O-N 2.93Å; R220-F223 PolarHBondContact O-N 3.49Å; S221-F223 VanDerWaalsContact C-N 3.34Å; S221-F223 PolarHBondContact O-N 3.4Å; F223-A225 VanDerWaalsContact C-N 3.28Å; F223-A225 PolarHBondContact O-N 3.29Å; F223-Q226 WeakPolarHBondContact O-CB 3.39Å; F223-Q226 PolarHBondContact O-N 3.46Å; F223-E284 WeakPolarHBondContact CE1-O 3.39Å; F223-M285 HydrophobicContact CB-CE 4.4Å; F223-M285 HydrophobicContact CB-CG 3.71Å; F223-M285 HydrophobicContact CB-SD 4.49Å; F223-M285 HydrophobicContact CD1-CB 4.17Å; F223-M285 HydrophobicContact CD1-CG 3.93Å; F223-M285 HydrophobicContact CD2-CB 4Å; F223-M285 HydrophobicContact CD2-CE 4.23Å; F223-M285 HydrophobicContact CD2-CG 3.96Å; F223-M285 VanDerWaalsContact CE1-CA 3.47Å; F223-M285 HydrophobicContact CE1-CB 4.33Å; F223-M285 HydrophobicContact CE2-CB 4.14Å; F223-M285 WeakPolarHBondContact CE2-O 3.31Å; F223-M285 HydrophobicContact CG-CB 4Å; F223-M285 HydrophobicContact CG-CG 3.59Å; F223-M285 HydrophobicContact CZ-CB 4.3Å; F223-M285 VanDerWaalsContact CZ-O 3.24Å; F223-M285 WeakPolarHBondContact CZ-O 3.44Å
224	Q	92.9	Very high	94	Very high	37 Å²	37	31.3 Å²	31.3	17%	0.173	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-35	177.1	-63.9	-60.3	-24.4	0	0	112.5	I161 H165 R220 S221 F222 Q226	I161-Q224 HydrophobicContact CG2-CB 3.65Å; H165-Q224 PolarHBondContact NE2-O 2.62Å; H165-Q224 PolarHBondContact NE2-OE1 3.28Å; R220-Q224 WeakPolarHBondContact O-CG 3.45Å; R220-Q224 PolarHBondContact O-N 3Å; S221-Q224 PolarHBondContact O-N 2.97Å; F222-Q224 VanDerWaalsContact C-N 3.35Å; F222-Q224 PolarHBondContact O-N 3.44Å; Q224-Q226 VanDerWaalsContact C-N 3.26Å; Q224-Q226 PolarHBondContact O-N 2.89Å
225	A	94.2	Very high	94.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-20.1	178.4	0	0	0	0	0	114.1	I161 S221 F222 F223 S227 F228 I229 I231	I161-A225 HydrophobicContact CD1-CB 3.79Å; I161-A225 HydrophobicContact CG1-CB 4.15Å; S221-A225 WeakPolarHBondContact O-CB 3.29Å; S221-A225 PolarHBondContact O-N 2.94Å; F222-A225 WeakPolarHBondContact O-CB 3.32Å; F222-A225 PolarHBondContact O-N 3.46Å; F223-A225 VanDerWaalsContact C-N 3.28Å; F223-A225 PolarHBondContact O-N 3.29Å; A225-S227 PolarHBondContact O-N 3.49Å; A225-F228 PolarHBondContact O-N 3.24Å; A225-I229 HydrophobicContact CB-CD1 4.38Å; A225-I229 HydrophobicContact CB-CG1 4.12Å; A225-I229 WeakPolarHBondContact O-CG1 3.49Å; A225-I229 PolarHBondContact O-N 3.49Å; A225-I231 HydrophobicContact CB-CD1 4.45Å
226	Q	94.5	Very high	94.2	Very high	78 Å²	78	33.5 Å²	33.5	36%	0.364	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.7	178.2	-70.1	-177	-54.2	0	0	113.3	F222 F223 Q224 F228 I229 I231 I236	F222-Q226 PolarHBondContact O-N 2.98Å; F223-Q226 WeakPolarHBondContact O-CB 3.39Å; F223-Q226 PolarHBondContact O-N 3.46Å; Q224-Q226 VanDerWaalsContact C-N 3.26Å; Q224-Q226 PolarHBondContact O-N 2.89Å; Q226-F228 PolarHBondContact O-N 3.18Å; Q226-I229 WeakPolarHBondContact CA-O 3.44Å; Q226-I231 HydrophobicContact CG-CB 3.84Å; Q226-I231 HydrophobicContact CG-CG1 3.83Å; Q226-I236 HydrophobicContact CG-CD1 4.47Å; Q226-I236 VanDerWaalsContact NE2-CD1 3.3Å
227	S	92.4	Very high	94.2	Very high	59 Å²	59	37.7 Å²	37.7	41%	0.413	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.8	174.5	-74.1	0	0	0	0	114.3	H165 A225	H165-S227 PolarHBondContact CE1-OG 3.09Å; A225-S227 PolarHBondContact O-N 3.49Å
228	F	93.3	Very high	94.4	Very high	29 Å²	29	42.6 Å²	42.6	13%	0.127	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-33	-172	-53.8	-70.5	0	0	0	113.6	I161 L164 H165 K168 L185 A225 Q226	I161-F228 HydrophobicContact CG2-CE2 4.46Å; L164-F228 VanDerWaalsContact C-CZ 3.46Å; L164-F228 HydrophobicContact CB-CD1 4.16Å; L164-F228 HydrophobicContact CB-CD2 4.16Å; L164-F228 HydrophobicContact CB-CE1 3.71Å; L164-F228 HydrophobicContact CB-CE2 3.71Å; L164-F228 HydrophobicContact CB-CG 4.37Å; L164-F228 HydrophobicContact CB-CZ 3.49Å; L164-F228 VanDerWaalsContact CB-CZ 3.49Å; L164-F228 HydrophobicContact CD1-CB 4.45Å; L164-F228 HydrophobicContact CD1-CD1 4.25Å; L164-F228 HydrophobicContact CD1-CD2 4.16Å; L164-F228 HydrophobicContact CD1-CG 4.02Å; H165-F228 HydrophobicContact CB-CZ 4.45Å; H165-F228 AromaticContact CD2-CE2 3.86Å; H165-F228 AromaticContact CE1-CE2 3.79Å; H165-F228 AromaticContact CG-CE2 3.86Å; H165-F228 AromaticContact CG-CZ 3.89Å; H165-F228 AromaticContact ND1-CE2 3.81Å; H165-F228 AromaticContact ND1-CZ 3.66Å; H165-F228 AromaticContact NE2-CE2 3.81Å; K168-F228 HydrophobicContact CB-CE1 4.31Å; K168-F228 HydrophobicContact CD-CE1 3.85Å; K168-F228 HydrophobicContact CD-CZ 4.17Å; L185-F228 HydrophobicContact CD1-CB 3.78Å; L185-F228 HydrophobicContact CD1-CD2 4.3Å; L185-F228 HydrophobicContact CD1-CG 4.33Å; A225-F228 PolarHBondContact O-N 3.24Å; Q226-F228 PolarHBondContact O-N 3.18Å
229	I	95.2	Very high	94.5	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.051	21%	0.213	C	C	.	.	S	Bend	trans	-132.7	159.5	-179.6	59.8	162.1	0	0	0	111.5	F182 L185 Y189 A225 Q226 I231	F182-I229 HydrophobicContact CD2-CG2 3.64Å; F182-I229 HydrophobicContact CE2-CB 4.47Å; F182-I229 HydrophobicContact CE2-CG2 3.92Å; F182-I229 HydrophobicContact CG-CG2 4.31Å; L185-I229 HydrophobicContact CB-CD1 3.84Å; L185-I229 HydrophobicContact CB-CG1 4.26Å; L185-I229 HydrophobicContact CB-CG2 3.73Å; L185-I229 HydrophobicContact CD1-CG2 4.29Å; Y189-I229 HydrophobicContact CG-CD1 4.47Å; A225-I229 HydrophobicContact CB-CD1 4.38Å; A225-I229 HydrophobicContact CB-CG1 4.12Å; A225-I229 WeakPolarHBondContact O-CG1 3.49Å; A225-I229 PolarHBondContact O-N 3.49Å; Q226-I229 WeakPolarHBondContact CA-O 3.44Å; I229-I231 HydrophobicContact CD1-CD1 3.54Å; I229-I231 HydrophobicContact CD1-CG1 4.47Å; I229-I231 HydrophobicContact CG1-CD1 3.89Å; I229-I231 HydrophobicContact CG1-CG1 4.31Å
230	Y	95.6	Very high	94.5	Very high	176 Å²	176	44.9 Å²	44.9	69%	0.69	22%	0.221	S	C	*	.			trans	-74.3	126.4	171.5	177.7	-98.6	0	0	0	110.4	D232	Y230-D232 HydrophobicContact CE1-CB 4.35Å
231	I	95.9	Very high	94.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.236	C	C	.	.			trans	-120.8	126	171.7	-54.5	-68	0	0	0	107.4	Y189 F222 A225 Q226 I229 P233 I236	Y189-I231 HydrophobicContact CD1-CD1 4.13Å; Y189-I231 HydrophobicContact CD2-CD1 3.43Å; Y189-I231 VanDerWaalsContact CD2-CD1 3.43Å; Y189-I231 HydrophobicContact CE1-CD1 4.34Å; Y189-I231 HydrophobicContact CE2-CD1 3.69Å; Y189-I231 HydrophobicContact CE2-CG2 3.83Å; Y189-I231 HydrophobicContact CG-CD1 3.66Å; F222-I231 HydrophobicContact CB-CG2 4.26Å; F222-I231 HydrophobicContact CD2-CG2 4.32Å; A225-I231 HydrophobicContact CB-CD1 4.45Å; Q226-I231 HydrophobicContact CG-CB 3.84Å; Q226-I231 HydrophobicContact CG-CG1 3.83Å; I229-I231 HydrophobicContact CD1-CD1 3.54Å; I229-I231 HydrophobicContact CD1-CG1 4.47Å; I229-I231 HydrophobicContact CG1-CD1 3.89Å; I229-I231 HydrophobicContact CG1-CG1 4.31Å; I231-P233 VanDerWaalsContact O-CD 3.28Å; I231-P233 WeakPolarHBondContact O-CD 3.34Å; I231-I236 HydrophobicContact CG2-CD1 3.83Å; I231-I236 HydrophobicContact CG2-CG1 3.98Å
232	D	95	Very high	94.7	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	24%	0.238	S	C	.	.			trans	-61.5	117.9	178.3	-178.5	-9.1	0	0	0	110.8	Y189 Y230 V234 N235 I236	Y189-D232 PolarHBondContact OH-N 2.88Å; Y230-D232 HydrophobicContact CE1-CB 4.35Å; D232-V234 PolarHBondContact O-N 2.66Å; D232-V234 VanDerWaalsContact OD1-CB 3.29Å; D232-V234 WeakPolarHBondContact OD1-CB 3.33Å; D232-V234 WeakPolarHBondContact OD1-CG2 3.44Å; D232-V234 PolarHBondContact OD1-N 3.32Å; D232-N235 HydrophobicContact CB-CB 4.41Å; D232-N235 WeakPolarHBondContact O-CB 3.45Å; D232-N235 PolarHBondContact O-N 3.31Å; D232-I236 PolarHBondContact O-N 3.11Å
233	P	94.3	Very high	94.7	Very high	77 Å²	77	47.8 Å²	47.8	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-58.4	-29.8	178.6	-24.2	34.7	0	0	0	113.7	I231 N235 I236 E237	I231-P233 VanDerWaalsContact O-CD 3.28Å; I231-P233 WeakPolarHBondContact O-CD 3.34Å; P233-N235 PolarHBondContact O-N 3.2Å; P233-I236 PolarHBondContact O-N 2.77Å; P233-E237 PolarHBondContact O-N 3.13Å
234	V	94.7	Very high	94.7	Very high	79 Å²	79	47.4 Å²	47.4	48%	0.479	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-35.2	176.8	179.5	0	0	0	0	110.4	D232 K238	D232-V234 PolarHBondContact O-N 2.66Å; D232-V234 VanDerWaalsContact OD1-CB 3.29Å; D232-V234 WeakPolarHBondContact OD1-CB 3.33Å; D232-V234 WeakPolarHBondContact OD1-CG2 3.44Å; D232-V234 PolarHBondContact OD1-N 3.32Å; V234-K238 HydrophobicContact CG1-CD 4.25Å; V234-K238 HydrophobicContact CG1-CG 4.42Å; V234-K238 WeakPolarHBondContact O-CB 3.37Å; V234-K238 WeakPolarHBondContact O-CG 3.42Å; V234-K238 PolarHBondContact O-N 3.15Å
235	N	93.6	Very high	94.8	Very high	28 Å²	28	52.1 Å²	52.1	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-69.4	-38.4	178.7	-78.4	-41.9	0	0	0	112.4	Y189 K196 D232 P233 S239	Y189-N235 PolarHBondContact OH-ND2 2.74Å; K196-N235 VanDerWaalsContact NZ-CA 3.33Å; K196-N235 PolarHBondContact NZ-O 3.32Å; K196-N235 PolarHBondContact NZ-OD1 2.96Å; D232-N235 HydrophobicContact CB-CB 4.41Å; D232-N235 WeakPolarHBondContact O-CB 3.45Å; D232-N235 PolarHBondContact O-N 3.31Å; P233-N235 PolarHBondContact O-N 3.2Å; N235-S239 PolarHBondContact O-N 3.4Å; N235-S239 PolarHBondContact O-OG 2.65Å
236	I	94	Very high	94.8	Very high	17 Å²	17	53 Å²	53	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-51.2	174.9	-65.8	177.7	0	0	0	109.6	L219 Q226 I231 D232 P233 K238 S239 R240 M285	L219-I236 HydrophobicContact CD1-CB 4.04Å; L219-I236 HydrophobicContact CD1-CG1 4.36Å; L219-I236 HydrophobicContact CD1-CG2 3.57Å; L219-I236 WeakPolarHBondContact CD1-O 3.31Å; Q226-I236 HydrophobicContact CG-CD1 4.47Å; Q226-I236 VanDerWaalsContact NE2-CD1 3.3Å; I231-I236 HydrophobicContact CG2-CD1 3.83Å; I231-I236 HydrophobicContact CG2-CG1 3.98Å; D232-I236 PolarHBondContact O-N 3.11Å; P233-I236 PolarHBondContact O-N 2.77Å; I236-K238 PolarHBondContact O-N 3.33Å; I236-S239 PolarHBondContact O-N 2.91Å; I236-R240 WeakPolarHBondContact O-CB 3.22Å; I236-R240 PolarHBondContact O-N 2.83Å; I236-M285 HydrophobicContact CG2-CE 3.84Å
237	E	94.6	Very high	94.8	Very high	88 Å²	88	50.8 Å²	50.8	41%	0.411	25%	0.253	S	S	.	.	H	α-helix	trans	-66.9	-37.8	-174.3	-170.2	55.5	-146.5	0	0	113	P233 S239 R240 T241	P233-E237 PolarHBondContact O-N 3.13Å; E237-S239 PolarHBondContact O-N 3.06Å; E237-R240 PolarHBondContact O-N 3.02Å; E237-R240 IonicContact OE2-NH1 3.57Å; E237-T241 WeakPolarHBondContact O-CB 3.21Å; E237-T241 PolarHBondContact O-N 2.62Å; E237-T241 PolarHBondContact O-OG1 3.15Å
238	K	95.8	Very high	94.9	Very high	104 Å²	104	51.6 Å²	51.6	45%	0.452	25%	0.249	S	C	.	.	H	α-helix	trans	-59.3	-47.9	173.1	-78.8	-177.4	177.2	-174.3	0	111.9	V234 I236 R240 T241 W242	V234-K238 HydrophobicContact CG1-CD 4.25Å; V234-K238 HydrophobicContact CG1-CG 4.42Å; V234-K238 WeakPolarHBondContact O-CB 3.37Å; V234-K238 WeakPolarHBondContact O-CG 3.42Å; V234-K238 PolarHBondContact O-N 3.15Å; I236-K238 PolarHBondContact O-N 3.33Å; K238-R240 VanDerWaalsContact C-N 3.32Å; K238-R240 PolarHBondContact O-N 3.22Å; K238-T241 PolarHBondContact O-N 2.8Å; K238-W242 PolarHBondContact O-N 2.97Å
239	S	95.9	Very high	94.8	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-36.7	-178.2	-43	0	0	0	0	111.3	G200 N235 I236 E237 W242 L243	G200-S239 WeakPolarHBondContact O-CA 3.43Å; G200-S239 VanDerWaalsContact O-CB 3.31Å; G200-S239 WeakPolarHBondContact O-CB 3.36Å; G200-S239 PolarHBondContact O-OG 3.25Å; G200-S239 VanDerWaalsContact O-OG 3.11Å; N235-S239 PolarHBondContact O-N 3.4Å; N235-S239 PolarHBondContact O-OG 2.65Å; I236-S239 PolarHBondContact O-N 2.91Å; E237-S239 PolarHBondContact O-N 3.06Å; S239-W242 PolarHBondContact O-N 3.27Å; S239-L243 PolarHBondContact O-N 3.34Å
240	R	95.3	Very high	94.6	Very high	47 Å²	47	63.8 Å²	63.8	18%	0.177	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-49.9	171.9	-176.7	-172.6	-179.4	-168.5	-1.1	111.7	L219 I236 E237 K238 W242 L243 N244 F282 D291	L219-R240 HydrophobicContact CD2-CB 4.17Å; I236-R240 WeakPolarHBondContact O-CB 3.22Å; I236-R240 PolarHBondContact O-N 2.83Å; E237-R240 PolarHBondContact O-N 3.02Å; E237-R240 IonicContact OE2-NH1 3.57Å; K238-R240 VanDerWaalsContact C-N 3.32Å; K238-R240 PolarHBondContact O-N 3.22Å; R240-W242 VanDerWaalsContact C-N 3.26Å; R240-W242 PolarHBondContact O-N 2.7Å; R240-L243 PolarHBondContact O-N 2.85Å; R240-L243 VanDerWaalsContact O-N 3.13Å; R240-N244 VanDerWaalsContact O-CG 3.24Å; R240-N244 PolarHBondContact O-N 3.17Å; R240-N244 PolarHBondContact O-OD1 3.09Å; R240-F282 HydrophobicContact CG-CE1 4.32Å; R240-F282 HydrophobicContact CG-CZ 4.5Å; R240-D291 IonicContact NH2-OD2 2.72Å; R240-D291 PolarHBondContact NH2-OD2 3.11Å
241	T	95.6	Very high	94.5	Very high	56 Å²	56	55.4 Å²	55.4	34%	0.344	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-42.5	178.4	-60.5	0	0	0	0	110.9	E237 K238 N244 H245	E237-T241 WeakPolarHBondContact O-CB 3.21Å; E237-T241 PolarHBondContact O-N 2.62Å; E237-T241 PolarHBondContact O-OG1 3.15Å; K238-T241 PolarHBondContact O-N 2.8Å; T241-N244 WeakPolarHBondContact O-CB 3.31Å; T241-N244 PolarHBondContact O-N 2.98Å; T241-H245 PolarHBondContact O-N 3.28Å
242	W	95.9	Very high	94.4	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-45.8	175.5	-175.2	86.8	0	0	0	112.5	E199 A201 T212 T215 K238 S239 R240 N244 H245 Q246	E199-W242 PolarHBondContact OE2-NE1 3.38Å; A201-W242 HydrophobicContact CB-CD2 3.52Å; A201-W242 HydrophobicContact CB-CE3 3.86Å; A201-W242 HydrophobicContact CB-CG 4.08Å; A201-W242 HydrophobicContact CB-CH2 3.81Å; A201-W242 HydrophobicContact CB-CZ2 3.49Å; A201-W242 VanDerWaalsContact CB-CZ2 3.49Å; A201-W242 HydrophobicContact CB-CZ3 3.99Å; T212-W242 HydrophobicContact CG2-CH2 3.8Å; T212-W242 HydrophobicContact CG2-CZ3 3.84Å; T215-W242 HydrophobicContact CG2-CE3 3.94Å; T215-W242 HydrophobicContact CG2-CZ3 4.18Å; K238-W242 PolarHBondContact O-N 2.97Å; S239-W242 PolarHBondContact O-N 3.27Å; R240-W242 VanDerWaalsContact C-N 3.26Å; R240-W242 PolarHBondContact O-N 2.7Å; W242-N244 VanDerWaalsContact C-N 3.33Å; W242-N244 PolarHBondContact O-N 2.69Å; W242-H245 WeakPolarHBondContact O-CB 3.43Å; W242-H245 PolarHBondContact O-N 3.14Å; W242-Q246 HydrophobicContact CD2-CG 4.3Å; W242-Q246 HydrophobicContact CE3-CG 4.01Å; W242-Q246 HydrophobicContact CH2-CG 3.94Å; W242-Q246 HydrophobicContact CZ2-CG 4.19Å; W242-Q246 HydrophobicContact CZ3-CG 3.84Å; W242-Q246 WeakPolarHBondContact O-CG 3.23Å; W242-Q246 PolarHBondContact O-N 2.95Å; W242-Q246 PolarHBondContact O-NE2 3.48Å
243	L	95.4	Very high	94.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-40.2	175.9	-77.4	170	0	0	0	112.1	T215 L219 S239 R240 H245 Q246 F253 I278 F282	T215-L243 HydrophobicContact CG2-CD1 4.14Å; T215-L243 HydrophobicContact CG2-CD2 4.24Å; T215-L243 HydrophobicContact CG2-CG 3.94Å; L219-L243 HydrophobicContact CD2-CD1 3.91Å; S239-L243 PolarHBondContact O-N 3.34Å; R240-L243 PolarHBondContact O-N 2.85Å; R240-L243 VanDerWaalsContact O-N 3.13Å; L243-H245 PolarHBondContact O-N 3.14Å; L243-Q246 WeakPolarHBondContact O-CA 3.37Å; L243-Q246 WeakPolarHBondContact O-CB 3.49Å; L243-Q246 PolarHBondContact O-N 3.35Å; L243-F253 WeakPolarHBondContact O-CE1 3.35Å; L243-I278 HydrophobicContact CD2-CD1 4.42Å; L243-F282 HydrophobicContact CB-CZ 4Å; L243-F282 HydrophobicContact CD1-CE1 4.03Å; L243-F282 HydrophobicContact CD1-CZ 4.17Å
244	N	95.1	Very high	94.1	Very high	39 Å²	39	53.7 Å²	53.7	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-38	176.5	-64.7	-10.4	0	0	0	111.5	R240 T241 W242 Q246 Q247 V293	R240-N244 VanDerWaalsContact O-CG 3.24Å; R240-N244 PolarHBondContact O-N 3.17Å; R240-N244 PolarHBondContact O-OD1 3.09Å; T241-N244 WeakPolarHBondContact O-CB 3.31Å; T241-N244 PolarHBondContact O-N 2.98Å; W242-N244 VanDerWaalsContact C-N 3.33Å; W242-N244 PolarHBondContact O-N 2.69Å; N244-Q246 PolarHBondContact O-N 2.89Å; N244-Q247 WeakPolarHBondContact O-CB 3.21Å; N244-Q247 PolarHBondContact O-N 3.45Å; N244-V293 HydrophobicContact CB-CG2 4.17Å
245	H	94.6	Very high	93.7	Very high	136 Å²	136	55.2 Å²	55.2	63%	0.63	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-10.8	175.1	-64.6	160.8	0	0	0	114.2	T241 W242 L243	T241-H245 PolarHBondContact O-N 3.28Å; W242-H245 WeakPolarHBondContact O-CB 3.43Å; W242-H245 PolarHBondContact O-N 3.14Å; L243-H245 PolarHBondContact O-N 3.14Å
246	Q	94.3	Very high	93.3	Very high	19 Å²	19	55.3 Å²	55.3	9%	0.089	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.6	173.9	-47.7	-53.3	-46	0	0	112.8	T212 W242 L243 N244 F253 K254	T212-Q246 HydrophobicContact CG2-CB 3.85Å; T212-Q246 HydrophobicContact CG2-CG 3.69Å; W242-Q246 HydrophobicContact CD2-CG 4.3Å; W242-Q246 HydrophobicContact CE3-CG 4.01Å; W242-Q246 HydrophobicContact CH2-CG 3.94Å; W242-Q246 HydrophobicContact CZ2-CG 4.19Å; W242-Q246 HydrophobicContact CZ3-CG 3.84Å; W242-Q246 WeakPolarHBondContact O-CG 3.23Å; W242-Q246 PolarHBondContact O-N 2.95Å; W242-Q246 PolarHBondContact O-NE2 3.48Å; L243-Q246 WeakPolarHBondContact O-CA 3.37Å; L243-Q246 WeakPolarHBondContact O-CB 3.49Å; L243-Q246 PolarHBondContact O-N 3.35Å; N244-Q246 PolarHBondContact O-N 2.89Å; Q246-F253 HydrophobicContact CB-CD1 4.48Å; Q246-K254 HydrophobicContact CB-CG 4.32Å; Q246-K254 WeakPolarHBondContact O-CG 3.43Å; Q246-K254 PolarHBondContact O-N 3.02Å
247	Q	95.3	Very high	92.2	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.154	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-74.3	135	175.1	-163.4	175	38	0	0	111.2	N244 G251 F253 V293	N244-Q247 WeakPolarHBondContact O-CB 3.21Å; N244-Q247 PolarHBondContact O-N 3.45Å; Q247-G251 VanDerWaalsContact CG-O 3.3Å; Q247-G251 WeakPolarHBondContact CG-O 3.2Å; Q247-G251 PolarHBondContact NE2-O 3.32Å; Q247-F253 HydrophobicContact CB-CD1 4.13Å; Q247-F253 HydrophobicContact CB-CE1 3.89Å; Q247-F253 HydrophobicContact CB-CZ 4.37Å; Q247-F253 HydrophobicContact CG-CE1 4.35Å; Q247-F253 HydrophobicContact CG-CZ 4.38Å; Q247-V293 PolarHBondContact NE2-O 3.45Å
248	K	94.4	Very high	91	Very high	75 Å²	75	56.3 Å²	56.3	33%	0.326	27%	0.271	S	S	.	.			trans	-84.2	169.5	175.1	-65.4	-177.9	-178.5	-175.3	0	111	N250 G251 C252 K254 E271	K248-N250 WeakPolarHBondContact CB-OD1 3.34Å; K248-N250 PolarHBondContact O-N 3.21Å; K248-G251 PolarHBondContact O-N 2.9Å; K248-C252 WeakPolarHBondContact CB-O 3.41Å; K248-C252 PolarHBondContact N-O 2.86Å; K248-K254 HydrophobicContact CG-CB 4.28Å; K248-E271 WeakPolarHBondContact CE-OE1 3.45Å; K248-E271 IonicContact NZ-OE1 3.11Å; K248-E271 PolarHBondContact NZ-OE1 3.47Å; K248-E271 IonicContact NZ-OE2 2.65Å; K248-E271 PolarHBondContact NZ-OE2 3.34Å
249	Q	91.3	Very high	89.4	Confident	208 Å²	208	51.6 Å²	51.6	97%	0.972	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.8	177.3	-67.9	-176	-6.3	0	0	113.7	G251	Q249-G251 PolarHBondContact O-N 3.27Å
250	N	90.8	Very high	87.6	Confident	87 Å²	87	53 Å²	53	47%	0.465	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.1	175.4	70.1	-17.3	0	0	0	113.4	K248 C252 C300	K248-N250 WeakPolarHBondContact CB-OD1 3.34Å; K248-N250 PolarHBondContact O-N 3.21Å; N250-C252 PolarHBondContact O-N 3.48Å; N250-C252 PolarHBondContact OD1-N 3.22Å; N250-C300 WeakPolarHBondContact O-CB 3.48Å
251	G	92.6	Very high	85.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	90	-16	179.2	0	0	0	0	0	115.2	Q247 K248 Q249 S297	Q247-G251 VanDerWaalsContact CG-O 3.3Å; Q247-G251 WeakPolarHBondContact CG-O 3.2Å; Q247-G251 PolarHBondContact NE2-O 3.32Å; K248-G251 PolarHBondContact O-N 2.9Å; Q249-G251 PolarHBondContact O-N 3.27Å; G251-S297 WeakPolarHBondContact O-CA 3.47Å
252	C	93.7	Very high	84.2	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.047	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-76.8	155.3	174.1	-80.9	0	0	0	0	112.2	K248 N250 S275 C300	K248-C252 WeakPolarHBondContact CB-O 3.41Å; K248-C252 PolarHBondContact N-O 2.86Å; N250-C252 PolarHBondContact O-N 3.48Å; N250-C252 PolarHBondContact OD1-N 3.22Å; C252-S275 WeakPolarHBondContact CA-OG 3.3Å; C252-S275 WeakPolarHBondContact CB-OG 3.26Å; C252-C300 HydrophobicContact CB-CB 4.1Å; C252-C300 WeakPolarHBondContact CB-SG 3.26Å; C252-C300 PolarHBondContact N-SG 2.83Å; C252-C300 VanDerWaalsContact N-SG 3.45Å; C252-C300 WeakPolarHBondContact SG-CB 3.49Å; C252-C300 CovalentContact SG-SG 2.03Å; C252-C300 PolarHBondContact SG-SG 2.7Å
253	F	93.8	Very high	82.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-90.4	137.4	177.6	-68.9	-88.9	0	0	0	111.7	L243 Q246 Q247 S275 I278 F282 V293	L243-F253 WeakPolarHBondContact O-CE1 3.35Å; Q246-F253 HydrophobicContact CB-CD1 4.48Å; Q247-F253 HydrophobicContact CB-CD1 4.13Å; Q247-F253 HydrophobicContact CB-CE1 3.89Å; Q247-F253 HydrophobicContact CB-CZ 4.37Å; Q247-F253 HydrophobicContact CG-CE1 4.35Å; Q247-F253 HydrophobicContact CG-CZ 4.38Å; F253-S275 PolarHBondContact N-OG 3.2Å; F253-I278 HydrophobicContact CB-CD1 3.6Å; F253-I278 HydrophobicContact CD1-CD1 3.99Å; F253-I278 HydrophobicContact CD1-CG2 4.27Å; F253-I278 HydrophobicContact CD2-CB 4.1Å; F253-I278 HydrophobicContact CD2-CD1 4.1Å; F253-I278 HydrophobicContact CD2-CG2 4Å; F253-I278 HydrophobicContact CE1-CG2 4.01Å; F253-I278 HydrophobicContact CE2-CB 4.21Å; F253-I278 HydrophobicContact CE2-CG2 3.7Å; F253-I278 HydrophobicContact CG-CB 4.45Å; F253-I278 HydrophobicContact CG-CD1 3.62Å; F253-I278 HydrophobicContact CG-CG2 4.27Å; F253-I278 HydrophobicContact CZ-CG2 3.71Å; F253-F282 AromaticContact CZ-CE2 3.9Å; F253-F282 HydrophobicContact CZ-CE2 3.9Å; F253-V293 HydrophobicContact CE1-CG1 4.36Å; F253-V293 HydrophobicContact CZ-CG1 3.73Å
254	K	90.6	Very high	80.6	Confident	89 Å²	89	53.4 Å²	53.4	39%	0.387	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-79.8	146.6	175.2	75.1	-167	177.5	-172.4	0	111.3	T212 Q246 K248	T212-K254 WeakPolarHBondContact CG2-O 3.16Å; T212-K254 PolarHBondContact OG1-O 3.34Å; Q246-K254 HydrophobicContact CB-CG 4.32Å; Q246-K254 WeakPolarHBondContact O-CG 3.43Å; Q246-K254 PolarHBondContact O-N 3.02Å; K248-K254 HydrophobicContact CG-CB 4.28Å
255	K	85.9	Confident	78.8	Confident	111 Å²	111	52.2 Å²	52.2	48%	0.483	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-75.6	125.1	171.9	-169.9	174.6	-176.9	172.3	0	109.7	S269 L274	K255-S269 PolarHBondContact NZ-O 2.62Å; K255-S269 VanDerWaalsContact NZ-O 3.1Å; K255-L274 HydrophobicContact CB-CD2 4.02Å; K255-L274 HydrophobicContact CG-CD2 4.45Å
256	S	84.5	Confident	77.4	Confident	30 Å²	30	47 Å²	47	21%	0.21	24%	0.235	C	C	.	.			trans	-130.7	147.9	173.9	-178.5	0	0	0	0	110.2	G210 N211 T212	G210-S256 CarbonylContact O-C 3.57Å; G210-S256 PolarHBondContact O-OG 3.02Å; N211-S256 WeakPolarHBondContact CA-O 3.36Å; T212-S256 PolarHBondContact N-O 2.92Å; T212-S256 PolarHBondContact OG1-N 3.19Å; T212-S256 VanDerWaalsContact OG1-N 3.12Å
257	G	71.7	Confident	75.8	Confident	23 Å²	23	46.6 Å²	46.6	24%	0.237	24%	0.236	C	C	.	.	S	Bend	trans	77.9	158.3	-179.5	0	0	0	0	0	114.3
258	K	68.1	Low	74.6	Confident	102 Å²	102	45.3 Å²	45.3	44%	0.443	23%	0.23	S	C	.	.			trans	-92.3	132.8	165.9	-167.3	177.7	179.7	-176.6	0	107	N211 F260 T528 E574	N211-K258 VanDerWaalsContact ND2-C 3.32Å; N211-K258 PolarHBondContact ND2-O 3.04Å; N211-K258 VanDerWaalsContact ND2-O 3.14Å; K258-F260 HydrophobicContact CD-CE1 4.29Å; K258-F260 HydrophobicContact CD-CZ 4.23Å; K258-T528 PolarHBondContact NZ-OG1 2.84Å; K258-E574 IonicContact NZ-OE2 2.98Å; K258-E574 PolarHBondContact NZ-OE2 3.22Å
259	L	63.3	Low	73.7	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.239	C	C	.	.			trans	-99.9	132.5	164.6	-111.2	131.5	0	0	0	105.4	E151 N211 W213 L214 N261 M264 K265	E151-L259 HydrophobicContact CG-CD2 3.93Å; E151-L259 WeakPolarHBondContact OE1-CA 3.23Å; E151-L259 VanDerWaalsContact OE1-CD2 3.24Å; E151-L259 WeakPolarHBondContact OE1-CD2 3.21Å; N211-L259 WeakPolarHBondContact ND2-CD1 3.42Å; N211-L259 VanDerWaalsContact ND2-CG 3.29Å; N211-L259 WeakPolarHBondContact ND2-CG 3.43Å; N211-L259 PolarHBondContact ND2-N 3.44Å; N211-L259 WeakPolarHBondContact OD1-CD1 3.47Å; W213-L259 HydrophobicContact CB-CD1 3.72Å; W213-L259 HydrophobicContact CD2-CD1 3.93Å; W213-L259 HydrophobicContact CE3-CD1 3.41Å; W213-L259 VanDerWaalsContact CE3-CD1 3.41Å; W213-L259 HydrophobicContact CE3-CD2 3.72Å; W213-L259 HydrophobicContact CE3-CG 4.24Å; W213-L259 HydrophobicContact CG-CD1 4.07Å; W213-L259 HydrophobicContact CZ3-CD1 4.36Å; W213-L259 HydrophobicContact CZ3-CD2 3.87Å; L214-L259 HydrophobicContact CB-CD1 4.49Å; L259-N261 HydrophobicContact CD2-CB 4.46Å; L259-M264 HydrophobicContact CD2-CB 4.28Å; L259-K265 HydrophobicContact CB-CD 4.5Å; L259-K265 HydrophobicContact CD1-CD 4.15Å; L259-K265 HydrophobicContact CD1-CG 3.91Å
260	F	57.8	Low	73.2	Confident	33 Å²	33	38.3 Å²	38.3	15%	0.145	21%	0.209	C	C	.	.	S	Bend	trans	-82.4	-33	175.7	-68.1	-93.5	0	0	0	108.9	E151 T204 F205 K258 N262 N530 Y607	E151-F260 PolarHBondContact OE1-N 2.78Å; T204-F260 HydrophobicContact CG2-CD2 3.96Å; F205-F260 HydrophobicContact CD2-CD2 4.46Å; F205-F260 HydrophobicContact CD2-CE2 4.06Å; F205-F260 AromaticContact CE2-CD2 3.67Å; F205-F260 HydrophobicContact CE2-CD2 3.67Å; F205-F260 AromaticContact CE2-CE2 3.48Å; F205-F260 HydrophobicContact CE2-CE2 3.48Å; F205-F260 VanDerWaalsContact CE2-CE2 3.48Å; F205-F260 HydrophobicContact CE2-CG 4.28Å; F205-F260 AromaticContact CE2-CZ 3.93Å; F205-F260 HydrophobicContact CE2-CZ 3.93Å; F205-F260 HydrophobicContact CZ-CD2 4.41Å; K258-F260 HydrophobicContact CD-CE1 4.29Å; K258-F260 HydrophobicContact CD-CZ 4.23Å; F260-N262 PolarHBondContact O-N 2.86Å; F260-N530 WeakPolarHBondContact O-CB 3.45Å; F260-N530 PolarHBondContact O-OD1 3.41Å; F260-Y607 HydrophobicContact CB-CE2 4.23Å
261	N	59.8	Low	72.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.203	C	C	.	.			trans	-84.6	93.8	170.4	-165.7	-13.9	0	0	0	113.2	E151 L259 R263 M264 Y607	E151-N261 VanDerWaalsContact OE2-CB 3.27Å; E151-N261 WeakPolarHBondContact OE2-CB 3.47Å; E151-N261 PolarHBondContact OE2-N 2.94Å; L259-N261 HydrophobicContact CD2-CB 4.46Å; N261-R263 VanDerWaalsContact C-N 3.27Å; N261-R263 PolarHBondContact O-N 3.18Å; N261-R263 WeakPolarHBondContact OD1-CA 3.43Å; N261-R263 WeakPolarHBondContact OD1-CB 3.07Å; N261-R263 PolarHBondContact OD1-N 2.88Å; N261-M264 HydrophobicContact CB-CB 3.74Å; N261-M264 HydrophobicContact CB-CG 4.07Å; N261-M264 HydrophobicContact CB-SD 3.87Å; N261-M264 VanDerWaalsContact CG-CB 3.47Å; N261-M264 VanDerWaalsContact CG-N 3.28Å; N261-M264 WeakPolarHBondContact ND2-CB 2.84Å; N261-M264 WeakPolarHBondContact ND2-CG 3.48Å; N261-M264 PolarHBondContact ND2-SD 3.17Å; N261-M264 PolarHBondContact O-N 2.85Å; N261-M264 PolarHBondContact OD1-N 2.94Å; N261-Y607 VanDerWaalsContact CA-CE2 3.48Å; N261-Y607 HydrophobicContact CB-CD1 3.53Å; N261-Y607 HydrophobicContact CB-CD2 3.62Å; N261-Y607 HydrophobicContact CB-CE1 3.38Å; N261-Y607 HydrophobicContact CB-CE2 3.5Å; N261-Y607 HydrophobicContact CB-CG 3.6Å; N261-Y607 WeakPolarHBondContact ND2-CD1 3.39Å; N261-Y607 WeakPolarHBondContact ND2-CE1 3.42Å; N261-Y607 VanDerWaalsContact OD1-CB 3.26Å; N261-Y607 WeakPolarHBondContact OD1-CB 3.28Å; N261-Y607 WeakPolarHBondContact OD1-CD1 3.49Å; N261-Y607 VanDerWaalsContact OD1-CG 3.29Å
262	N	59.8	Low	72.7	Confident	91 Å²	91	39.4 Å²	39.4	49%	0.487	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-26.8	172	-73.9	-44.6	0	0	0	113.1	F260 K265 N530	F260-N262 PolarHBondContact O-N 2.86Å; N262-K265 PolarHBondContact O-N 2.86Å; N262-N530 PolarHBondContact ND2-OD1 3.25Å
263	R	57.2	Low	72.5	Confident	31 Å²	31	39 Å²	39	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-75.5	-21.8	175	-64.2	-154	-178.8	163.1	-20.3	113.9	N261 K265 G266 S405 Q408 Y607 S610	N261-R263 VanDerWaalsContact C-N 3.27Å; N261-R263 PolarHBondContact O-N 3.18Å; N261-R263 WeakPolarHBondContact OD1-CA 3.43Å; N261-R263 WeakPolarHBondContact OD1-CB 3.07Å; N261-R263 PolarHBondContact OD1-N 2.88Å; R263-K265 VanDerWaalsContact C-N 3.29Å; R263-G266 PolarHBondContact O-N 2.88Å; R263-G266 VanDerWaalsContact O-N 3.07Å; R263-S405 PolarHBondContact NH1-O 3.11Å; R263-S405 VanDerWaalsContact NH1-O 3.11Å; R263-Q408 WeakPolarHBondContact O-CB 3.01Å; R263-Y607 WeakPolarHBondContact CD-O 3.45Å; R263-Y607 PolarHBondContact NE-O 2.78Å; R263-Y607 PolarHBondContact NH1-O 3.37Å; R263-S610 PolarHBondContact NH2-OG 2.79Å
264	M	57.6	Low	72.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-36.7	170.6	-105.3	171.4	110.4	0	0	111	E151 M154 W213 L214 F217 L259 N261 G266 T407 Q408	E151-M264 HydrophobicContact CB-CE 4.22Å; E151-M264 HydrophobicContact CB-SD 3.53Å; E151-M264 VanDerWaalsContact CB-SD 3.53Å; E151-M264 HydrophobicContact CG-SD 3.88Å; E151-M264 WeakPolarHBondContact O-CE 3.38Å; M154-M264 HydrophobicContact CB-CE 3.97Å; W213-M264 VanDerWaalsContact CH2-C 3.46Å; W213-M264 HydrophobicContact CH2-CB 3.55Å; W213-M264 HydrophobicContact CH2-CE 4.05Å; W213-M264 HydrophobicContact CH2-CG 3.99Å; W213-M264 WeakPolarHBondContact CH2-O 3.03Å; W213-M264 VanDerWaalsContact CZ2-C 3.42Å; W213-M264 HydrophobicContact CZ2-CB 4.39Å; W213-M264 WeakPolarHBondContact CZ2-O 3.42Å; W213-M264 HydrophobicContact CZ3-CB 3.71Å; W213-M264 HydrophobicContact CZ3-CE 3.95Å; W213-M264 HydrophobicContact CZ3-CG 4.25Å; W213-M264 HydrophobicContact CZ3-SD 4.46Å; L214-M264 HydrophobicContact CD1-CE 4.34Å; F217-M264 HydrophobicContact CD1-CE 3.78Å; F217-M264 HydrophobicContact CE1-CE 3.54Å; L259-M264 HydrophobicContact CD2-CB 4.28Å; N261-M264 HydrophobicContact CB-CB 3.74Å; N261-M264 HydrophobicContact CB-CG 4.07Å; N261-M264 HydrophobicContact CB-SD 3.87Å; N261-M264 VanDerWaalsContact CG-CB 3.47Å; N261-M264 VanDerWaalsContact CG-N 3.28Å; N261-M264 WeakPolarHBondContact ND2-CB 2.84Å; N261-M264 WeakPolarHBondContact ND2-CG 3.48Å; N261-M264 PolarHBondContact ND2-SD 3.17Å; N261-M264 PolarHBondContact O-N 2.85Å; N261-M264 PolarHBondContact OD1-N 2.94Å; M264-G266 PolarHBondContact O-N 2.9Å; M264-T407 HydrophobicContact CE-CG2 4.4Å; M264-T407 HydrophobicContact CG-CG2 3.62Å; M264-T407 HydrophobicContact SD-CG2 4.4Å; M264-Q408 WeakPolarHBondContact O-CB 3.31Å; M264-Q408 VanDerWaalsContact O-CD 3.3Å; M264-Q408 VanDerWaalsContact O-CG 3.26Å; M264-Q408 WeakPolarHBondContact O-CG 3.43Å; M264-Q408 PolarHBondContact O-OE1 2.88Å
265	K	56.9	Low	72.6	Confident	15 Å²	15	35 Å²	35	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-23.1	171.2	-71.3	-177.2	-178.6	162.8	0	113.2	W213 L259 N262 R263 G267 V268	W213-K265 HydrophobicContact CB-CG 4.45Å; W213-K265 HydrophobicContact CD2-CG 3.85Å; W213-K265 HydrophobicContact CE3-CG 4.35Å; W213-K265 HydrophobicContact CG-CG 3.84Å; L259-K265 HydrophobicContact CB-CD 4.5Å; L259-K265 HydrophobicContact CD1-CD 4.15Å; L259-K265 HydrophobicContact CD1-CG 3.91Å; N262-K265 PolarHBondContact O-N 2.86Å; R263-K265 VanDerWaalsContact C-N 3.29Å; K265-G267 PolarHBondContact O-N 3.27Å; K265-V268 HydrophobicContact CB-CB 4.15Å; K265-V268 WeakPolarHBondContact CD-O 3.41Å; K265-V268 VanDerWaalsContact O-CB 3.26Å; K265-V268 WeakPolarHBondContact O-CB 3.46Å; K265-V268 VanDerWaalsContact O-CG2 3.3Å; K265-V268 WeakPolarHBondContact O-CG2 3.38Å; K265-V268 PolarHBondContact O-N 3.15Å; K265-V268 VanDerWaalsContact O-N 3.08Å
266	G	65.6	Low	73	Confident	25 Å²	25	29.8 Å²	29.8	26%	0.258	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-133.3	-172.1	0	0	0	0	0	110.7	R263 M264 V268 E365	R263-G266 PolarHBondContact O-N 2.88Å; R263-G266 VanDerWaalsContact O-N 3.07Å; M264-G266 PolarHBondContact O-N 2.9Å; G266-V268 PolarHBondContact O-N 2.88Å; G266-E365 WeakPolarHBondContact CA-OE2 3.32Å
267	G	61.2	Low	73.4	Confident	11 Å²	11	28.5 Å²	28.5	11%	0.113	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.4	173.3	0	0	0	0	0	115.8	K265 S269 Y312 E365	K265-G267 PolarHBondContact O-N 3.27Å; G267-S269 PolarHBondContact O-N 3.36Å; G267-S269 PolarHBondContact O-OG 3Å; G267-Y312 VanDerWaalsContact CA-CE1 3.4Å; G267-Y312 VanDerWaalsContact CA-CZ 3.43Å; G267-Y312 WeakPolarHBondContact O-CE1 3.4Å; G267-E365 PolarHBondContact N-OE2 3.28Å
268	V	70.7	Confident	74.6	Confident	7 Å²	7	27.4 Å²	27.4	4%	0.042	15%	0.15	C	C	.	.			trans	-70.3	98.2	-179.4	-179	0	0	0	0	111.3	K265 G266 L274 Y277 Y312	K265-V268 HydrophobicContact CB-CB 4.15Å; K265-V268 WeakPolarHBondContact CD-O 3.41Å; K265-V268 VanDerWaalsContact O-CB 3.26Å; K265-V268 WeakPolarHBondContact O-CB 3.46Å; K265-V268 VanDerWaalsContact O-CG2 3.3Å; K265-V268 WeakPolarHBondContact O-CG2 3.38Å; K265-V268 PolarHBondContact O-N 3.15Å; K265-V268 VanDerWaalsContact O-N 3.08Å; G266-V268 PolarHBondContact O-N 2.88Å; V268-L274 HydrophobicContact CG1-CB 3.84Å; V268-L274 HydrophobicContact CG1-CD1 4.18Å; V268-Y277 HydrophobicContact CG2-CD2 4.18Å; V268-Y277 HydrophobicContact CG2-CG 4.36Å; V268-Y312 HydrophobicContact CG2-CE1 4.19Å; V268-Y312 WeakPolarHBondContact CG2-OH 3.27Å
269	S	73.9	Confident	75.9	Confident	73 Å²	73	22.5 Å²	22.5	51%	0.51	13%	0.129	S	C	.	.			trans	-120.4	-35.8	-172.9	52	0	0	0	0	113	K255 G267 T273	K255-S269 PolarHBondContact NZ-O 2.62Å; K255-S269 VanDerWaalsContact NZ-O 3.1Å; G267-S269 PolarHBondContact O-N 3.36Å; G267-S269 PolarHBondContact O-OG 3Å; S269-T273 PolarHBondContact N-OG1 2.93Å
270	D	81.1	Confident	77.5	Confident	62 Å²	62	22.5 Å²	22.5	33%	0.332	13%	0.13	S	C	.	.	S	Bend	trans	-110.7	-179	-177.4	60.8	48.2	0	0	0	112.8	V272 T273 L274	D270-V272 WeakPolarHBondContact OD1-CA 3.37Å; D270-V272 WeakPolarHBondContact OD1-CB 3.49Å; D270-V272 PolarHBondContact OD1-N 2.87Å; D270-T273 PolarHBondContact N-OG1 2.92Å; D270-T273 PolarHBondContact O-OG1 3.21Å; D270-T273 VanDerWaalsContact O-OG1 3.12Å; D270-T273 WeakPolarHBondContact OD1-CB 3.37Å; D270-T273 PolarHBondContact OD1-N 3.24Å; D270-T273 PolarHBondContact OD1-OG1 3.29Å; D270-L274 VanDerWaalsContact O-CB 3.31Å; D270-L274 WeakPolarHBondContact O-CB 3.41Å; D270-L274 PolarHBondContact O-N 3.41Å
271	E	85.4	Confident	79.2	Confident	75 Å²	75	21 Å²	21	35%	0.35	12%	0.123	S	C	.	.	H	α-helix	trans	-72.9	-28	-179.4	-62.8	-169.1	156.4	0	0	113.4	K248 S275	K248-E271 WeakPolarHBondContact CE-OE1 3.45Å; K248-E271 IonicContact NZ-OE1 3.11Å; K248-E271 PolarHBondContact NZ-OE1 3.47Å; K248-E271 IonicContact NZ-OE2 2.65Å; K248-E271 PolarHBondContact NZ-OE2 3.34Å; E271-S275 VanDerWaalsContact O-CB 3.25Å; E271-S275 WeakPolarHBondContact O-CB 3.49Å; E271-S275 PolarHBondContact O-N 2.79Å; E271-S275 PolarHBondContact O-OG 2.87Å
272	V	88.1	Confident	81	Confident	36 Å²	36	21 Å²	21	22%	0.218	12%	0.123	C	C	.	.	H	α-helix	trans	-70.7	-52.4	-179.8	176.8	0	0	0	0	109.5	D270 L274 S275 A276 L301 T313	D270-V272 WeakPolarHBondContact OD1-CA 3.37Å; D270-V272 WeakPolarHBondContact OD1-CB 3.49Å; D270-V272 PolarHBondContact OD1-N 2.87Å; V272-L274 VanDerWaalsContact C-N 3.3Å; V272-L274 PolarHBondContact O-N 3.19Å; V272-S275 PolarHBondContact O-N 2.9Å; V272-S275 VanDerWaalsContact O-N 3.16Å; V272-A276 WeakPolarHBondContact O-CB 3.24Å; V272-A276 PolarHBondContact O-N 3.14Å; V272-L301 HydrophobicContact CG1-CD2 4.17Å; V272-L301 WeakPolarHBondContact O-CD2 3.33Å; V272-T313 HydrophobicContact CG1-CG2 3.97Å
273	T	89.4	Confident	82.7	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-38.8	176.2	50.6	0	0	0	0	112.1	S269 D270 A276 Y277 Y312 T313	S269-T273 PolarHBondContact N-OG1 2.93Å; D270-T273 PolarHBondContact N-OG1 2.92Å; D270-T273 PolarHBondContact O-OG1 3.21Å; D270-T273 VanDerWaalsContact O-OG1 3.12Å; D270-T273 WeakPolarHBondContact OD1-CB 3.37Å; D270-T273 PolarHBondContact OD1-N 3.24Å; D270-T273 PolarHBondContact OD1-OG1 3.29Å; T273-A276 PolarHBondContact O-N 2.84Å; T273-Y277 WeakPolarHBondContact O-CB 3.2Å; T273-Y277 PolarHBondContact O-N 2.78Å; T273-Y312 HydrophobicContact CG2-CD1 3.91Å; T273-Y312 HydrophobicContact CG2-CE1 3.96Å; T273-T313 HydrophobicContact CG2-CG2 4.25Å; T273-T313 WeakPolarHBondContact CG2-OG1 3.48Å
274	L	91.6	Very high	84.4	Confident	4 Å²	4	16.7 Å²	16.7	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-44.3	174.5	178.4	64.7	0	0	0	111.6	W213 K255 V268 D270 V272 A276 Y277 I278	W213-L274 HydrophobicContact CB-CD1 3.88Å; K255-L274 HydrophobicContact CB-CD2 4.02Å; K255-L274 HydrophobicContact CG-CD2 4.45Å; V268-L274 HydrophobicContact CG1-CB 3.84Å; V268-L274 HydrophobicContact CG1-CD1 4.18Å; D270-L274 VanDerWaalsContact O-CB 3.31Å; D270-L274 WeakPolarHBondContact O-CB 3.41Å; D270-L274 PolarHBondContact O-N 3.41Å; V272-L274 VanDerWaalsContact C-N 3.3Å; V272-L274 PolarHBondContact O-N 3.19Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-Y277 PolarHBondContact O-N 3.39Å; L274-I278 HydrophobicContact CD1-CD1 3.98Å; L274-I278 HydrophobicContact CD1-CG1 4.37Å; L274-I278 HydrophobicContact CG-CD1 3.92Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 2.93Å
275	S	94.4	Very high	86.1	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-41.5	178.1	-58.6	0	0	0	0	111.2	C252 F253 E271 V272 Y277 I278 T279	C252-S275 WeakPolarHBondContact CA-OG 3.3Å; C252-S275 WeakPolarHBondContact CB-OG 3.26Å; F253-S275 PolarHBondContact N-OG 3.2Å; E271-S275 VanDerWaalsContact O-CB 3.25Å; E271-S275 WeakPolarHBondContact O-CB 3.49Å; E271-S275 PolarHBondContact O-N 2.79Å; E271-S275 PolarHBondContact O-OG 2.87Å; V272-S275 PolarHBondContact O-N 2.9Å; V272-S275 VanDerWaalsContact O-N 3.16Å; S275-Y277 PolarHBondContact O-N 3.02Å; S275-I278 PolarHBondContact O-N 3.47Å; S275-T279 WeakPolarHBondContact O-CB 3.13Å; S275-T279 PolarHBondContact O-N 2.78Å; S275-T279 PolarHBondContact O-OG1 2.65Å
276	A	94.7	Very high	87.8	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.9	0	0	0	0	0	111.1	V272 T273 L274 T279 A280 L301 L316 L317 V320	V272-A276 WeakPolarHBondContact O-CB 3.24Å; V272-A276 PolarHBondContact O-N 3.14Å; T273-A276 PolarHBondContact O-N 2.84Å; L274-A276 VanDerWaalsContact C-N 3.34Å; A276-T279 PolarHBondContact O-N 3.02Å; A276-A280 WeakPolarHBondContact O-CB 3.15Å; A276-A280 PolarHBondContact O-N 2.93Å; A276-L301 HydrophobicContact CB-CD1 4.15Å; A276-L301 HydrophobicContact CB-CD2 3.91Å; A276-L316 HydrophobicContact CB-CD2 3.73Å; A276-L316 HydrophobicContact CB-CG 3.8Å; A276-L317 HydrophobicContact CB-CD2 4.05Å; A276-V320 HydrophobicContact CB-CG2 4.16Å; A276-V320 WeakPolarHBondContact O-CG2 3.48Å
277	Y	93.8	Very high	89.1	Confident	3 Å²	3	22.9 Å²	22.9	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-48.4	176.6	-172.6	-87.9	0	0	0	112.7	W213 F217 V268 T273 L274 S275 T279 A280 A281	W213-Y277 AromaticContact CD1-CD1 3.98Å; W213-Y277 AromaticContact NE1-CD1 3.93Å; W213-Y277 AromaticContact NE1-CE1 3.75Å; W213-Y277 AromaticContact NE1-CE2 3.85Å; W213-Y277 AromaticContact NE1-CZ 3.7Å; F217-Y277 HydrophobicContact CB-CE1 4.33Å; F217-Y277 WeakPolarHBondContact CD2-OH 2.9Å; V268-Y277 HydrophobicContact CG2-CD2 4.18Å; V268-Y277 HydrophobicContact CG2-CG 4.36Å; T273-Y277 WeakPolarHBondContact O-CB 3.2Å; T273-Y277 PolarHBondContact O-N 2.78Å; L274-Y277 PolarHBondContact O-N 3.39Å; S275-Y277 PolarHBondContact O-N 3.02Å; Y277-T279 VanDerWaalsContact C-N 3.29Å; Y277-T279 PolarHBondContact O-N 3.35Å; Y277-A280 PolarHBondContact O-N 3.08Å; Y277-A281 PolarHBondContact O-N 2.89Å
278	I	95.4	Very high	90.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-39.8	178.5	-66.2	167.4	0	0	0	110.6	L243 F253 L274 S275 A281 F282	L243-I278 HydrophobicContact CD2-CD1 4.42Å; F253-I278 HydrophobicContact CB-CD1 3.6Å; F253-I278 HydrophobicContact CD1-CD1 3.99Å; F253-I278 HydrophobicContact CD1-CG2 4.27Å; F253-I278 HydrophobicContact CD2-CB 4.1Å; F253-I278 HydrophobicContact CD2-CD1 4.1Å; F253-I278 HydrophobicContact CD2-CG2 4Å; F253-I278 HydrophobicContact CE1-CG2 4.01Å; F253-I278 HydrophobicContact CE2-CB 4.21Å; F253-I278 HydrophobicContact CE2-CG2 3.7Å; F253-I278 HydrophobicContact CG-CB 4.45Å; F253-I278 HydrophobicContact CG-CD1 3.62Å; F253-I278 HydrophobicContact CG-CG2 4.27Å; F253-I278 HydrophobicContact CZ-CG2 3.71Å; L274-I278 HydrophobicContact CD1-CD1 3.98Å; L274-I278 HydrophobicContact CD1-CG1 4.37Å; L274-I278 HydrophobicContact CG-CD1 3.92Å; L274-I278 WeakPolarHBondContact O-CG1 3.44Å; L274-I278 PolarHBondContact O-N 2.93Å; S275-I278 PolarHBondContact O-N 3.47Å; I278-A281 WeakPolarHBondContact O-CB 3.49Å; I278-A281 PolarHBondContact O-N 3.23Å; I278-F282 HydrophobicContact CG2-CD2 4.21Å; I278-F282 HydrophobicContact CG2-CE1 4.41Å; I278-F282 HydrophobicContact CG2-CE2 3.82Å; I278-F282 HydrophobicContact CG2-CZ 3.94Å; I278-F282 WeakPolarHBondContact O-CG 3.35Å; I278-F282 PolarHBondContact O-N 3.24Å
279	T	96.6	Very high	91.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-44	178.2	-51.2	0	0	0	0	111.4	S275 A276 Y277 A281 F282 L283 V294 S297 L298 L301 V320	S275-T279 WeakPolarHBondContact O-CB 3.13Å; S275-T279 PolarHBondContact O-N 2.78Å; S275-T279 PolarHBondContact O-OG1 2.65Å; A276-T279 PolarHBondContact O-N 3.02Å; Y277-T279 VanDerWaalsContact C-N 3.29Å; Y277-T279 PolarHBondContact O-N 3.35Å; T279-A281 VanDerWaalsContact C-N 3.33Å; T279-A281 PolarHBondContact O-N 3.38Å; T279-F282 PolarHBondContact O-N 3.17Å; T279-L283 HydrophobicContact CG2-CD1 4.03Å; T279-L283 VanDerWaalsContact O-CG 3.31Å; T279-L283 WeakPolarHBondContact O-CG 3.45Å; T279-L283 PolarHBondContact O-N 3.42Å; T279-V294 HydrophobicContact CG2-CG1 4.44Å; T279-S297 WeakPolarHBondContact OG1-CB 3.31Å; T279-S297 PolarHBondContact OG1-OG 3.22Å; T279-L298 HydrophobicContact CG2-CD2 3.87Å; T279-L298 HydrophobicContact CG2-CG 4.11Å; T279-L301 HydrophobicContact CG2-CD1 4.3Å; T279-V320 HydrophobicContact CG2-CG1 3.84Å
280	A	95.8	Very high	92.7	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-46.4	173.3	0	0	0	0	0	111.1	A276 Y277 F282 L283 E284 Y319 V320 L323	A276-A280 WeakPolarHBondContact O-CB 3.15Å; A276-A280 PolarHBondContact O-N 2.93Å; Y277-A280 PolarHBondContact O-N 3.08Å; A280-F282 VanDerWaalsContact C-N 3.35Å; A280-F282 PolarHBondContact O-N 2.85Å; A280-L283 PolarHBondContact O-N 3.24Å; A280-E284 WeakPolarHBondContact O-CG 3.38Å; A280-E284 PolarHBondContact O-N 3.14Å; A280-Y319 HydrophobicContact CB-CD1 4.29Å; A280-Y319 HydrophobicContact CB-CE1 4.31Å; A280-V320 HydrophobicContact CB-CG2 3.82Å; A280-L323 HydrophobicContact CB-CD1 4.21Å
281	A	95	Very high	93.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-44.9	177	0	0	0	0	0	112.1	S216 R220 Y277 I278 T279 E284 M285	S216-A281 WeakPolarHBondContact OG-CB 3.37Å; R220-A281 HydrophobicContact CB-CB 3.93Å; R220-A281 HydrophobicContact CG-CB 4.2Å; Y277-A281 PolarHBondContact O-N 2.89Å; I278-A281 WeakPolarHBondContact O-CB 3.49Å; I278-A281 PolarHBondContact O-N 3.23Å; T279-A281 VanDerWaalsContact C-N 3.33Å; T279-A281 PolarHBondContact O-N 3.38Å; A281-E284 PolarHBondContact O-N 2.84Å; A281-M285 WeakPolarHBondContact O-CG 3.49Å; A281-M285 PolarHBondContact O-N 3.24Å; A281-M285 VanDerWaalsContact O-N 3.14Å
282	F	96.4	Very high	93.8	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-40.9	176.8	-72.4	-14.8	0	0	0	113	L219 R240 L243 F253 I278 T279 A280 M285 I287 V293 V294	L219-F282 HydrophobicContact CD2-CE1 3.97Å; R240-F282 HydrophobicContact CG-CE1 4.32Å; R240-F282 HydrophobicContact CG-CZ 4.5Å; L243-F282 HydrophobicContact CB-CZ 4Å; L243-F282 HydrophobicContact CD1-CE1 4.03Å; L243-F282 HydrophobicContact CD1-CZ 4.17Å; F253-F282 AromaticContact CZ-CE2 3.9Å; F253-F282 HydrophobicContact CZ-CE2 3.9Å; I278-F282 HydrophobicContact CG2-CD2 4.21Å; I278-F282 HydrophobicContact CG2-CE1 4.41Å; I278-F282 HydrophobicContact CG2-CE2 3.82Å; I278-F282 HydrophobicContact CG2-CZ 3.94Å; I278-F282 WeakPolarHBondContact O-CG 3.35Å; I278-F282 PolarHBondContact O-N 3.24Å; T279-F282 PolarHBondContact O-N 3.17Å; A280-F282 VanDerWaalsContact C-N 3.35Å; A280-F282 PolarHBondContact O-N 2.85Å; F282-M285 HydrophobicContact CD1-SD 4.4Å; F282-M285 WeakPolarHBondContact O-CB 3.25Å; F282-M285 PolarHBondContact O-N 2.97Å; F282-I287 HydrophobicContact CB-CB 4.43Å; F282-I287 HydrophobicContact CB-CD1 3.83Å; F282-I287 HydrophobicContact CD1-CD1 3.83Å; F282-I287 HydrophobicContact CG-CD1 3.91Å; F282-I287 VanDerWaalsContact O-CB 3.28Å; F282-I287 WeakPolarHBondContact O-CB 3.21Å; F282-I287 WeakPolarHBondContact O-CG1 3.33Å; F282-I287 PolarHBondContact O-N 3.4Å; F282-I287 VanDerWaalsContact O-N 3.14Å; F282-V293 HydrophobicContact CE2-CG1 3.95Å; F282-V294 HydrophobicContact CB-CG2 4.02Å; F282-V294 HydrophobicContact CD2-CG2 4.12Å
283	L	96.1	Very high	94.2	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-68.4	-39.3	178	-67.5	167.4	0	0	0	112	T279 A280 M285 N286 V289 V294 V320 L323 A324	T279-L283 HydrophobicContact CG2-CD1 4.03Å; T279-L283 VanDerWaalsContact O-CG 3.31Å; T279-L283 WeakPolarHBondContact O-CG 3.45Å; T279-L283 PolarHBondContact O-N 3.42Å; A280-L283 PolarHBondContact O-N 3.24Å; L283-M285 PolarHBondContact O-N 3.25Å; L283-N286 WeakPolarHBondContact O-CA 3.29Å; L283-N286 PolarHBondContact O-N 2.98Å; L283-V289 HydrophobicContact CD2-CG1 3.81Å; L283-V294 HydrophobicContact CD2-CG1 3.86Å; L283-V294 HydrophobicContact CG-CG1 4.36Å; L283-V320 HydrophobicContact CD1-CG1 4.16Å; L283-L323 HydrophobicContact CB-CB 3.79Å; L283-L323 HydrophobicContact CB-CD1 4.11Å; L283-L323 HydrophobicContact CD1-CB 3.87Å; L283-L323 HydrophobicContact CG-CB 4.43Å; L283-A324 HydrophobicContact CD1-CB 3.96Å
284	E	92.9	Very high	94.5	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-25.9	172.7	-75.3	-174.4	-170.2	0	0	113	R220 F223 A280 A281 N286 Y319 L323 Q415	R220-E284 WeakPolarHBondContact CG-OE2 3.43Å; R220-E284 IonicContact CZ-OE1 2.9Å; R220-E284 IonicContact CZ-OE2 3.69Å; R220-E284 VanDerWaalsContact NE-CD 3.35Å; R220-E284 IonicContact NE-OE1 3.45Å; R220-E284 PolarHBondContact NE-OE1 3.08Å; R220-E284 IonicContact NE-OE2 3.61Å; R220-E284 PolarHBondContact NE-OE2 3.28Å; R220-E284 IonicContact NH2-OE1 2.74Å; R220-E284 PolarHBondContact NH2-OE1 3.01Å; R220-E284 IonicContact NH2-OE2 3.68Å; R220-E284 PolarHBondContact NH2-OE2 3.01Å; F223-E284 WeakPolarHBondContact CE1-O 3.39Å; A280-E284 WeakPolarHBondContact O-CG 3.38Å; A280-E284 PolarHBondContact O-N 3.14Å; A281-E284 PolarHBondContact O-N 2.84Å; E284-N286 PolarHBondContact O-N 3.38Å; E284-Y319 PolarHBondContact OE1-OH 2.82Å; E284-L323 HydrophobicContact CG-CD1 3.86Å; E284-Q415 PolarHBondContact OE1-NE2 3Å; E284-Q415 VanDerWaalsContact OE1-NE2 3.17Å
285	M	93.4	Very high	94.7	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.079	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	8.2	172.7	-65.7	169.6	64.1	0	0	113.3	L219 F223 I236 A281 F282 L283 I287	L219-M285 HydrophobicContact CD1-CE 3.93Å; L219-M285 HydrophobicContact CD2-CE 3.98Å; L219-M285 HydrophobicContact CD2-SD 3.89Å; L219-M285 HydrophobicContact CG-CE 3.71Å; L219-M285 HydrophobicContact CG-SD 3.66Å; F223-M285 HydrophobicContact CB-CE 4.4Å; F223-M285 HydrophobicContact CB-CG 3.71Å; F223-M285 HydrophobicContact CB-SD 4.49Å; F223-M285 HydrophobicContact CD1-CB 4.17Å; F223-M285 HydrophobicContact CD1-CG 3.93Å; F223-M285 HydrophobicContact CD2-CB 4Å; F223-M285 HydrophobicContact CD2-CE 4.23Å; F223-M285 HydrophobicContact CD2-CG 3.96Å; F223-M285 VanDerWaalsContact CE1-CA 3.47Å; F223-M285 HydrophobicContact CE1-CB 4.33Å; F223-M285 HydrophobicContact CE2-CB 4.14Å; F223-M285 WeakPolarHBondContact CE2-O 3.31Å; F223-M285 HydrophobicContact CG-CB 4Å; F223-M285 HydrophobicContact CG-CG 3.59Å; F223-M285 HydrophobicContact CZ-CB 4.3Å; F223-M285 VanDerWaalsContact CZ-O 3.24Å; F223-M285 WeakPolarHBondContact CZ-O 3.44Å; I236-M285 HydrophobicContact CG2-CE 3.84Å; A281-M285 WeakPolarHBondContact O-CG 3.49Å; A281-M285 PolarHBondContact O-N 3.24Å; A281-M285 VanDerWaalsContact O-N 3.14Å; F282-M285 HydrophobicContact CD1-SD 4.4Å; F282-M285 WeakPolarHBondContact O-CB 3.25Å; F282-M285 PolarHBondContact O-N 2.97Å; L283-M285 PolarHBondContact O-N 3.25Å; M285-I287 HydrophobicContact CB-CD1 4.39Å; M285-I287 HydrophobicContact CB-CG1 4.25Å; M285-I287 PolarHBondContact O-N 3.48Å
286	N	92.4	Very high	94.8	Very high	135 Å²	135	39.4 Å²	39.4	72%	0.722	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.8	-174.6	-58.8	-46.8	0	0	0	113.6	L283 E284 S288	L283-N286 WeakPolarHBondContact O-CA 3.29Å; L283-N286 PolarHBondContact O-N 2.98Å; E284-N286 PolarHBondContact O-N 3.38Å; N286-S288 PolarHBondContact O-N 3.32Å
287	I	93.4	Very high	94.9	Very high	20 Å²	20	39.4 Å²	39.4	10%	0.103	21%	0.206	C	C	.	.			trans	-70.3	130	169.8	-61.6	172	0	0	0	107.9	F282 M285 D291 V294	F282-I287 HydrophobicContact CB-CB 4.43Å; F282-I287 HydrophobicContact CB-CD1 3.83Å; F282-I287 HydrophobicContact CD1-CD1 3.83Å; F282-I287 HydrophobicContact CG-CD1 3.91Å; F282-I287 VanDerWaalsContact O-CB 3.28Å; F282-I287 WeakPolarHBondContact O-CB 3.21Å; F282-I287 WeakPolarHBondContact O-CG1 3.33Å; F282-I287 PolarHBondContact O-N 3.4Å; F282-I287 VanDerWaalsContact O-N 3.14Å; M285-I287 HydrophobicContact CB-CD1 4.39Å; M285-I287 HydrophobicContact CB-CG1 4.25Å; M285-I287 PolarHBondContact O-N 3.48Å; I287-D291 HydrophobicContact CG2-CB 3.7Å; I287-V294 HydrophobicContact CB-CG2 4.42Å; I287-V294 HydrophobicContact CG2-CG2 3.72Å
288	S	93.7	Very high	95.1	Very high	66 Å²	66	40.2 Å²	40.2	46%	0.462	21%	0.211	S	C	.	.			trans	-58.7	140.4	-177.5	-175.9	0	0	0	0	111.7	N286 N290 D291	N286-S288 PolarHBondContact O-N 3.32Å; S288-N290 PolarHBondContact O-N 2.93Å; S288-N290 VanDerWaalsContact O-N 3.12Å; S288-N290 PolarHBondContact OG-N 3.46Å; S288-D291 WeakPolarHBondContact O-CB 2.96Å; S288-D291 PolarHBondContact O-N 2.85Å
289	V	93.5	Very high	95.1	Very high	56 Å²	56	45.9 Å²	45.9	34%	0.339	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.4	170.3	-63.5	0	0	0	0	113.2	L283 D291 A324	L283-V289 HydrophobicContact CD2-CG1 3.81Å; V289-D291 VanDerWaalsContact C-N 3.33Å; V289-A324 HydrophobicContact CG1-CB 4.17Å
290	N	92.8	Very high	95	Very high	141 Å²	141	46.1 Å²	46.1	75%	0.754	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.8	176.1	-64.6	-33.3	0	0	0	113.2	S288 R292	S288-N290 PolarHBondContact O-N 2.93Å; S288-N290 VanDerWaalsContact O-N 3.12Å; S288-N290 PolarHBondContact OG-N 3.46Å; N290-R292 PolarHBondContact O-N 3.37Å
291	D	95.9	Very high	95	Very high	46 Å²	46	45.9 Å²	45.9	25%	0.246	24%	0.24	C	C	.	.	S	Bend	trans	-59.8	132.1	170.7	-177.8	-76.2	0	0	0	109.2	R240 I287 S288 V289 V293 V294 A295	R240-D291 IonicContact NH2-OD2 2.72Å; R240-D291 PolarHBondContact NH2-OD2 3.11Å; I287-D291 HydrophobicContact CG2-CB 3.7Å; S288-D291 WeakPolarHBondContact O-CB 2.96Å; S288-D291 PolarHBondContact O-N 2.85Å; V289-D291 VanDerWaalsContact C-N 3.33Å; D291-V293 PolarHBondContact O-N 2.66Å; D291-V293 WeakPolarHBondContact OD1-CB 3.28Å; D291-V293 PolarHBondContact OD1-N 3.42Å; D291-V294 HydrophobicContact CB-CB 4.24Å; D291-V294 HydrophobicContact CB-CG2 4.12Å; D291-V294 PolarHBondContact O-N 3.22Å; D291-A295 WeakPolarHBondContact O-CB 3.33Å; D291-A295 PolarHBondContact O-N 3.25Å
292	R	95.3	Very high	95.1	Very high	189 Å²	189	49.9 Å²	49.9	71%	0.713	26%	0.257	S	S	*	.	H	α-helix	trans	-55.1	-40.2	-173.8	178.9	-179.7	169.9	-179.1	-2.3	112.4	N290 Q296	N290-R292 PolarHBondContact O-N 3.37Å; R292-Q296 WeakPolarHBondContact O-CB 3.45Å; R292-Q296 VanDerWaalsContact O-CG 3.25Å; R292-Q296 WeakPolarHBondContact O-CG 3.41Å; R292-Q296 PolarHBondContact O-N 3.26Å; R292-Q296 VanDerWaalsContact O-N 3.1Å
293	V	95.5	Very high	94.9	Very high	17 Å²	17	57.1 Å²	57.1	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-45	-177	174.6	0	0	0	0	110	N244 Q247 F253 F282 D291 S297	N244-V293 HydrophobicContact CB-CG2 4.17Å; Q247-V293 PolarHBondContact NE2-O 3.45Å; F253-V293 HydrophobicContact CE1-CG1 4.36Å; F253-V293 HydrophobicContact CZ-CG1 3.73Å; F282-V293 HydrophobicContact CE2-CG1 3.95Å; D291-V293 PolarHBondContact O-N 2.66Å; D291-V293 WeakPolarHBondContact OD1-CB 3.28Å; D291-V293 PolarHBondContact OD1-N 3.42Å; V293-S297 WeakPolarHBondContact O-CB 3.49Å; V293-S297 PolarHBondContact O-N 2.87Å
294	V	96.3	Very high	94.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-47.5	178.1	177.7	0	0	0	0	110.9	T279 F282 L283 I287 D291 Q296 S297 L298	T279-V294 HydrophobicContact CG2-CG1 4.44Å; F282-V294 HydrophobicContact CB-CG2 4.02Å; F282-V294 HydrophobicContact CD2-CG2 4.12Å; L283-V294 HydrophobicContact CD2-CG1 3.86Å; L283-V294 HydrophobicContact CG-CG1 4.36Å; I287-V294 HydrophobicContact CB-CG2 4.42Å; I287-V294 HydrophobicContact CG2-CG2 3.72Å; D291-V294 HydrophobicContact CB-CB 4.24Å; D291-V294 HydrophobicContact CB-CG2 4.12Å; D291-V294 PolarHBondContact O-N 3.22Å; V294-Q296 PolarHBondContact O-N 2.94Å; V294-S297 PolarHBondContact O-N 3.35Å; V294-L298 HydrophobicContact CG1-CD1 3.96Å; V294-L298 HydrophobicContact CG1-CG 4.34Å; V294-L298 WeakPolarHBondContact O-CG 3.33Å; V294-L298 PolarHBondContact O-N 3.45Å
295	A	96.6	Very high	94.8	Very high	34 Å²	34	58.1 Å²	58.1	28%	0.281	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-44.6	179.2	0	0	0	0	0	112.2	D291 L298 L299	D291-A295 WeakPolarHBondContact O-CB 3.33Å; D291-A295 PolarHBondContact O-N 3.25Å; A295-L298 PolarHBondContact O-N 3.32Å; A295-L299 WeakPolarHBondContact O-CG 3.38Å; A295-L299 PolarHBondContact O-N 3.06Å
296	Q	96.3	Very high	94.7	Very high	66 Å²	66	62.7 Å²	62.7	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-38.3	176.5	-74.6	-177.2	-9.5	0	0	112.4	R292 V294 L299 C300	R292-Q296 WeakPolarHBondContact O-CB 3.45Å; R292-Q296 VanDerWaalsContact O-CG 3.25Å; R292-Q296 WeakPolarHBondContact O-CG 3.41Å; R292-Q296 PolarHBondContact O-N 3.26Å; R292-Q296 VanDerWaalsContact O-N 3.1Å; V294-Q296 PolarHBondContact O-N 2.94Å; Q296-L299 PolarHBondContact O-N 2.97Å; Q296-C300 PolarHBondContact O-N 2.97Å; Q296-C300 VanDerWaalsContact O-N 3.08Å
297	S	96.6	Very high	94.6	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.007	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-45.1	176.1	-166.8	0	0	0	0	111.6	G251 T279 V293 V294 L299 C300 L301	G251-S297 WeakPolarHBondContact O-CA 3.47Å; T279-S297 WeakPolarHBondContact OG1-CB 3.31Å; T279-S297 PolarHBondContact OG1-OG 3.22Å; V293-S297 WeakPolarHBondContact O-CB 3.49Å; V293-S297 PolarHBondContact O-N 2.87Å; V294-S297 PolarHBondContact O-N 3.35Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 2.97Å; S297-C300 WeakPolarHBondContact O-CB 3.48Å; S297-C300 PolarHBondContact O-N 2.96Å; S297-C300 VanDerWaalsContact O-N 3.1Å; S297-L301 VanDerWaalsContact O-CG 3.3Å; S297-L301 WeakPolarHBondContact O-CG 3.3Å; S297-L301 PolarHBondContact O-N 2.85Å
298	L	97	Very high	94.4	Very high	20 Å²	20	62 Å²	62	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-39.1	175.3	-71.7	171.4	0	0	0	112.1	T279 V294 A295 L301 K302 V320 F321 A324	T279-L298 HydrophobicContact CG2-CD2 3.87Å; T279-L298 HydrophobicContact CG2-CG 4.11Å; V294-L298 HydrophobicContact CG1-CD1 3.96Å; V294-L298 HydrophobicContact CG1-CG 4.34Å; V294-L298 WeakPolarHBondContact O-CG 3.33Å; V294-L298 PolarHBondContact O-N 3.45Å; A295-L298 PolarHBondContact O-N 3.32Å; L298-L301 PolarHBondContact O-N 2.97Å; L298-K302 WeakPolarHBondContact O-CG 3.44Å; L298-K302 PolarHBondContact O-N 2.92Å; L298-V320 HydrophobicContact CD2-CG1 3.74Å; L298-F321 HydrophobicContact CD2-CD1 4.31Å; L298-F321 HydrophobicContact CD2-CE1 4.01Å; L298-A324 HydrophobicContact CD1-CB 3.98Å; L298-A324 HydrophobicContact CD2-CB 4.01Å
299	L	95.8	Very high	94.1	Very high	118 Å²	118	62.4 Å²	62.4	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-62	-44.6	173.6	-72.7	172.8	0	0	0	112.1	A295 Q296 S297 L301 K302	A295-L299 WeakPolarHBondContact O-CG 3.38Å; A295-L299 PolarHBondContact O-N 3.06Å; Q296-L299 PolarHBondContact O-N 2.97Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 2.97Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 3.07Å; L299-K302 PolarHBondContact O-N 3.37Å
300	C	95.4	Very high	93.7	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.034	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-44.1	176.1	-162.4	0	0	0	0	111.5	N250 C252 Q296 S297 K302 E303	N250-C300 WeakPolarHBondContact O-CB 3.48Å; C252-C300 HydrophobicContact CB-CB 4.1Å; C252-C300 WeakPolarHBondContact CB-SG 3.26Å; C252-C300 PolarHBondContact N-SG 2.83Å; C252-C300 VanDerWaalsContact N-SG 3.45Å; C252-C300 WeakPolarHBondContact SG-CB 3.49Å; C252-C300 CovalentContact SG-SG 2.03Å; C252-C300 PolarHBondContact SG-SG 2.7Å; Q296-C300 PolarHBondContact O-N 2.97Å; Q296-C300 VanDerWaalsContact O-N 3.08Å; S297-C300 WeakPolarHBondContact O-CB 3.48Å; S297-C300 PolarHBondContact O-N 2.96Å; S297-C300 VanDerWaalsContact O-N 3.1Å; C300-K302 VanDerWaalsContact C-N 3.28Å; C300-K302 PolarHBondContact O-N 3.39Å; C300-E303 WeakPolarHBondContact O-CB 3.44Å; C300-E303 PolarHBondContact O-N 3.3Å
301	L	95.8	Very high	93.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-28.2	180	-64.8	175.8	0	0	0	113	V272 A276 T279 S297 L298 L299 E303 S304 L317 V320 F321	V272-L301 HydrophobicContact CG1-CD2 4.17Å; V272-L301 WeakPolarHBondContact O-CD2 3.33Å; A276-L301 HydrophobicContact CB-CD1 4.15Å; A276-L301 HydrophobicContact CB-CD2 3.91Å; T279-L301 HydrophobicContact CG2-CD1 4.3Å; S297-L301 VanDerWaalsContact O-CG 3.3Å; S297-L301 WeakPolarHBondContact O-CG 3.3Å; S297-L301 PolarHBondContact O-N 2.85Å; L298-L301 PolarHBondContact O-N 2.97Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 3.07Å; L301-E303 PolarHBondContact O-N 3.2Å; L301-S304 PolarHBondContact O-N 3.12Å; L301-S304 VanDerWaalsContact O-N 3.15Å; L301-L317 HydrophobicContact CB-CD2 3.85Å; L301-L317 HydrophobicContact CD1-CD2 4.26Å; L301-L317 HydrophobicContact CD2-CD2 3.92Å; L301-L317 HydrophobicContact CG-CD2 4.21Å; L301-V320 HydrophobicContact CD1-CG1 4.05Å; L301-F321 HydrophobicContact CB-CE2 4.48Å; L301-F321 HydrophobicContact CB-CZ 4.22Å
302	K	95.4	Very high	93.4	Very high	86 Å²	86	52.7 Å²	52.7	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-24.8	174.5	-81.3	-170.6	178.6	-163.1	0	113	L298 L299 C300 S304 I305 F321 D326	L298-K302 WeakPolarHBondContact O-CG 3.44Å; L298-K302 PolarHBondContact O-N 2.92Å; L299-K302 PolarHBondContact O-N 3.37Å; C300-K302 VanDerWaalsContact C-N 3.28Å; C300-K302 PolarHBondContact O-N 3.39Å; K302-S304 PolarHBondContact O-N 2.99Å; K302-I305 VanDerWaalsContact O-CG1 3.32Å; K302-I305 WeakPolarHBondContact O-CG1 3.14Å; K302-F321 HydrophobicContact CD-CE1 4.49Å; K302-F321 HydrophobicContact CG-CE1 3.84Å; K302-F321 HydrophobicContact CG-CZ 3.62Å; K302-D326 WeakPolarHBondContact CE-OD2 3.4Å; K302-D326 IonicContact NZ-OD2 2.63Å; K302-D326 PolarHBondContact NZ-OD2 3.26Å
303	E	93.5	Very high	93.2	Very high	153 Å²	153	44.3 Å²	44.3	72%	0.715	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.6	176.7	-60.3	-175.6	168.8	0	0	112.3	C300 L301	C300-E303 WeakPolarHBondContact O-CB 3.44Å; C300-E303 PolarHBondContact O-N 3.3Å; L301-E303 PolarHBondContact O-N 3.2Å
304	S	92.2	Very high	93.1	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	2	-176.1	-52.7	0	0	0	0	114.6	L301 K302 N306 D307	L301-S304 PolarHBondContact O-N 3.12Å; L301-S304 VanDerWaalsContact O-N 3.15Å; K302-S304 PolarHBondContact O-N 2.99Å; S304-N306 PolarHBondContact O-N 3.38Å; S304-D307 PolarHBondContact O-N 3.4Å; S304-D307 VanDerWaalsContact O-N 3.12Å
305	I	93.6	Very high	93.1	Very high	27 Å²	27	43.6 Å²	43.6	14%	0.138	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21	-173.5	67.2	-175.6	0	0	0	114.1	K302 F308 F321 T329 L333	K302-I305 VanDerWaalsContact O-CG1 3.32Å; K302-I305 WeakPolarHBondContact O-CG1 3.14Å; I305-F308 WeakPolarHBondContact O-CE1 3.17Å; I305-F321 HydrophobicContact CG2-CE2 3.76Å; I305-F321 HydrophobicContact CG2-CZ 4.19Å; I305-T329 HydrophobicContact CB-CG2 4.38Å; I305-T329 HydrophobicContact CD1-CG2 4.2Å; I305-T329 HydrophobicContact CG2-CG2 3.77Å; I305-L333 HydrophobicContact CB-CD2 4.27Å
306	N	92.8	Very high	93	Very high	113 Å²	113	42 Å²	42	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-3.3	177.8	-65	-58.9	0	0	0	112.7	S304 F308 H332	S304-N306 PolarHBondContact O-N 3.38Å; N306-F308 PolarHBondContact O-N 2.9Å; N306-H332 PolarHBondContact OD1-NE2 3.41Å
307	D	90.4	Very high	93	Very high	89 Å²	89	38.9 Å²	38.9	48%	0.476	20%	0.204	S	C	.	.			trans	-90.2	102.7	175.6	-174.7	-2	0	0	0	110.3	S304 S309	S304-D307 PolarHBondContact O-N 3.4Å; S304-D307 VanDerWaalsContact O-N 3.12Å; D307-S309 WeakPolarHBondContact OD1-CB 3.39Å; D307-S309 PolarHBondContact OD1-N 3.43Å; D307-S309 PolarHBondContact OD1-OG 3Å; D307-S309 PolarHBondContact OD2-OG 3.28Å
308	F	88.8	Confident	93	Very high	52 Å²	52	38.8 Å²	38.8	23%	0.228	20%	0.204	C	C	.	.			trans	-99.5	17.3	179.1	-58.5	-55.1	0	0	0	113.5	I305 N306 N310 T314 H332 L333 H336	I305-F308 WeakPolarHBondContact O-CE1 3.17Å; N306-F308 PolarHBondContact O-N 2.9Å; F308-N310 PolarHBondContact O-N 3.23Å; F308-T314 HydrophobicContact CD1-CG2 3.99Å; F308-T314 HydrophobicContact CE1-CG2 4.11Å; F308-H332 AromaticContact CZ-CE1 3.99Å; F308-H332 AromaticContact CZ-NE2 3.48Å; F308-H332 WeakPolarHBondContact CZ-NE2 3.23Å; F308-L333 HydrophobicContact CE1-CD2 4.26Å; F308-H336 WeakPolarHBondContact CB-NE2 3.26Å; F308-H336 HydrophobicContact CD1-CB 3.95Å; F308-H336 AromaticContact CD1-CD2 3.36Å; F308-H336 WeakPolarHBondContact CD1-CD2 3.27Å; F308-H336 AromaticContact CD1-CG 3.39Å; F308-H336 AromaticContact CD1-ND1 3.88Å; F308-H336 AromaticContact CD1-NE2 3.86Å; F308-H336 AromaticContact CD2-ND1 3.81Å; F308-H336 HydrophobicContact CE1-CB 3.62Å; F308-H336 AromaticContact CE1-CD2 3.98Å; F308-H336 AromaticContact CE1-CG 3.62Å; F308-H336 AromaticContact CG-CD2 3.72Å; F308-H336 AromaticContact CG-CE1 3.65Å; F308-H336 AromaticContact CG-CG 3.67Å; F308-H336 AromaticContact CG-ND1 3.64Å; F308-H336 AromaticContact CG-NE2 3.73Å; F308-H336 HydrophobicContact CZ-CB 3.94Å
309	S	86.1	Confident	93	Very high	73 Å²	73	38.1 Å²	38.1	51%	0.51	20%	0.2	S	C	.	.	S	Bend	trans	-66.5	-27.3	177.5	63.4	0	0	0	0	112.8	D307 Q353	D307-S309 WeakPolarHBondContact OD1-CB 3.39Å; D307-S309 PolarHBondContact OD1-N 3.43Å; D307-S309 PolarHBondContact OD1-OG 3Å; D307-S309 PolarHBondContact OD2-OG 3.28Å; S309-Q353 PolarHBondContact O-NE2 3.3Å
310	N	86.6	Confident	93.1	Very high	33 Å²	33	32.5 Å²	32.5	18%	0.176	17%	0.17	C	C	.	.			trans	-124.6	103.2	-176.2	-173.1	-17.4	0	0	0	111.4	F308 Y312 T313 T314 Q353	F308-N310 PolarHBondContact O-N 3.23Å; N310-Y312 PolarHBondContact O-N 2.98Å; N310-Y312 VanDerWaalsContact OD1-CB 3.28Å; N310-Y312 WeakPolarHBondContact OD1-CB 3.44Å; N310-Y312 PolarHBondContact OD1-N 3.3Å; N310-T313 PolarHBondContact ND2-OG1 2.77Å; N310-T313 WeakPolarHBondContact O-CB 3.43Å; N310-T313 PolarHBondContact O-N 2.91Å; N310-T313 PolarHBondContact OD1-N 3.04Å; N310-T314 PolarHBondContact O-N 2.86Å; N310-T314 VanDerWaalsContact O-N 3.11Å; N310-T314 PolarHBondContact O-OG1 2.82Å; N310-Q353 PolarHBondContact OD1-OE1 2.68Å
311	T	90.8	Very high	93.2	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-35.9	179.7	-46.3	0	0	0	0	111.8	T314 A315 L337 V340 W351 S352 Q353 I366	T311-T314 PolarHBondContact O-N 2.77Å; T311-A315 PolarHBondContact O-N 2.94Å; T311-L337 HydrophobicContact CG2-CD2 3.98Å; T311-V340 HydrophobicContact CG2-CG2 4.48Å; T311-W351 HydrophobicContact CG2-CB 4.3Å; T311-S352 PolarHBondContact OG1-O 3.42Å; T311-Q353 PolarHBondContact OG1-OE1 3.38Å; T311-I366 HydrophobicContact CG2-CG2 4.03Å
312	Y	89.9	Confident	93.2	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-46.3	176.8	174.8	-95	0	0	0	112.3	G267 V268 T273 N310 T314 A315 L316 L362 E365 I366 Y369	G267-Y312 VanDerWaalsContact CA-CE1 3.4Å; G267-Y312 VanDerWaalsContact CA-CZ 3.43Å; G267-Y312 WeakPolarHBondContact O-CE1 3.4Å; V268-Y312 HydrophobicContact CG2-CE1 4.19Å; V268-Y312 WeakPolarHBondContact CG2-OH 3.27Å; T273-Y312 HydrophobicContact CG2-CD1 3.91Å; T273-Y312 HydrophobicContact CG2-CE1 3.96Å; N310-Y312 PolarHBondContact O-N 2.98Å; N310-Y312 VanDerWaalsContact OD1-CB 3.28Å; N310-Y312 WeakPolarHBondContact OD1-CB 3.44Å; N310-Y312 PolarHBondContact OD1-N 3.3Å; Y312-T314 VanDerWaalsContact C-N 3.31Å; Y312-T314 PolarHBondContact O-N 3.01Å; Y312-A315 PolarHBondContact O-N 2.98Å; Y312-L316 HydrophobicContact CE1-CD2 4.09Å; Y312-L316 PolarHBondContact O-N 2.86Å; Y312-L362 HydrophobicContact CD2-CD1 3.75Å; Y312-L362 HydrophobicContact CE2-CD1 4.31Å; Y312-L362 HydrophobicContact CG-CD1 4.22Å; Y312-E365 HydrophobicContact CE2-CG 3.9Å; Y312-E365 VanDerWaalsContact CE2-OE1 3.29Å; Y312-E365 WeakPolarHBondContact CE2-OE1 3.33Å; Y312-E365 PolarHBondContact OH-OE1 2.92Å; Y312-I366 HydrophobicContact CD2-CG1 3.81Å; Y312-I366 HydrophobicContact CG-CG1 4.4Å; Y312-Y369 HydrophobicContact CE2-CD2 4.2Å; Y312-Y369 AromaticContact CE2-CE2 3.99Å; Y312-Y369 HydrophobicContact CE2-CE2 3.99Å
313	T	91.4	Very high	93.2	Very high	13 Å²	13	31 Å²	31	8%	0.08	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-44.4	178.1	-57.9	0	0	0	0	110.2	V272 T273 N310 A315 L316 L317	V272-T313 HydrophobicContact CG1-CG2 3.97Å; T273-T313 HydrophobicContact CG2-CG2 4.25Å; T273-T313 WeakPolarHBondContact CG2-OG1 3.48Å; N310-T313 PolarHBondContact ND2-OG1 2.77Å; N310-T313 WeakPolarHBondContact O-CB 3.43Å; N310-T313 PolarHBondContact O-N 2.91Å; N310-T313 PolarHBondContact OD1-N 3.04Å; T313-A315 PolarHBondContact O-N 2.88Å; T313-L316 PolarHBondContact O-N 2.51Å; T313-L317 HydrophobicContact CG2-CD1 3.97Å; T313-L317 HydrophobicContact CG2-CG 4.26Å; T313-L317 WeakPolarHBondContact O-CB 3.42Å; T313-L317 VanDerWaalsContact O-CG 3.24Å; T313-L317 WeakPolarHBondContact O-CG 3.18Å; T313-L317 PolarHBondContact O-N 2.89Å
314	T	94.7	Very high	93.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-44.4	176.9	-46.5	0	0	0	0	112.3	F308 N310 T311 Y312 L317 A318 L333 L337	F308-T314 HydrophobicContact CD1-CG2 3.99Å; F308-T314 HydrophobicContact CE1-CG2 4.11Å; N310-T314 PolarHBondContact O-N 2.86Å; N310-T314 VanDerWaalsContact O-N 3.11Å; N310-T314 PolarHBondContact O-OG1 2.82Å; T311-T314 PolarHBondContact O-N 2.77Å; Y312-T314 VanDerWaalsContact C-N 3.31Å; Y312-T314 PolarHBondContact O-N 3.01Å; T314-L317 PolarHBondContact O-N 2.96Å; T314-A318 WeakPolarHBondContact O-CB 3.48Å; T314-A318 PolarHBondContact O-N 3.02Å; T314-L333 HydrophobicContact CG2-CB 4.28Å; T314-L333 HydrophobicContact CG2-CD2 3.83Å; T314-L337 HydrophobicContact CG2-CD1 4.09Å; T314-L337 HydrophobicContact CG2-CD2 4.16Å; T314-L337 HydrophobicContact CG2-CG 3.85Å
315	A	95.4	Very high	93.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-44.1	178.5	0	0	0	0	0	112.7	T311 Y312 T313 A318 Y319 L337 I366 V370	T311-A315 PolarHBondContact O-N 2.94Å; Y312-A315 PolarHBondContact O-N 2.98Å; T313-A315 PolarHBondContact O-N 2.88Å; A315-A318 PolarHBondContact O-N 2.83Å; A315-Y319 PolarHBondContact O-N 2.88Å; A315-Y319 VanDerWaalsContact O-N 3.11Å; A315-L337 HydrophobicContact CB-CD1 4.41Å; A315-L337 HydrophobicContact CB-CD2 4.19Å; A315-I366 HydrophobicContact CB-CG2 3.74Å; A315-V370 HydrophobicContact CB-CG2 3.8Å
316	L	94.8	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-41.6	177.6	-178.5	58	0	0	0	111.8	A276 Y312 T313 Y319 V320 Y369	A276-L316 HydrophobicContact CB-CD2 3.73Å; A276-L316 HydrophobicContact CB-CG 3.8Å; Y312-L316 HydrophobicContact CE1-CD2 4.09Å; Y312-L316 PolarHBondContact O-N 2.86Å; T313-L316 PolarHBondContact O-N 2.51Å; L316-Y319 WeakPolarHBondContact O-CB 3.4Å; L316-Y319 PolarHBondContact O-N 3.47Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 3.46Å; L316-Y369 HydrophobicContact CD1-CD1 4.01Å; L316-Y369 HydrophobicContact CD1-CD2 4.43Å; L316-Y369 HydrophobicContact CD1-CE1 3.59Å; L316-Y369 HydrophobicContact CD1-CE2 4.03Å; L316-Y369 HydrophobicContact CD1-CG 4.42Å
317	L	96.3	Very high	93.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-42.5	174	-71.9	178.3	0	0	0	111.5	A276 L301 T313 T314 Y319 V320 F321 L333	A276-L317 HydrophobicContact CB-CD2 4.05Å; L301-L317 HydrophobicContact CB-CD2 3.85Å; L301-L317 HydrophobicContact CD1-CD2 4.26Å; L301-L317 HydrophobicContact CD2-CD2 3.92Å; L301-L317 HydrophobicContact CG-CD2 4.21Å; T313-L317 HydrophobicContact CG2-CD1 3.97Å; T313-L317 HydrophobicContact CG2-CG 4.26Å; T313-L317 WeakPolarHBondContact O-CB 3.42Å; T313-L317 VanDerWaalsContact O-CG 3.24Å; T313-L317 WeakPolarHBondContact O-CG 3.18Å; T313-L317 PolarHBondContact O-N 2.89Å; T314-L317 PolarHBondContact O-N 2.96Å; L317-Y319 PolarHBondContact O-N 2.93Å; L317-V320 PolarHBondContact O-N 2.95Å; L317-V320 VanDerWaalsContact O-N 3.17Å; L317-F321 HydrophobicContact CB-CD2 4.36Å; L317-F321 HydrophobicContact CB-CE2 4.43Å; L317-F321 HydrophobicContact CD2-CE2 4.19Å; L317-F321 WeakPolarHBondContact O-CD2 3.49Å; L317-F321 PolarHBondContact O-N 3.45Å; L317-L333 HydrophobicContact CB-CD1 3.73Å
318	A	97.1	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-40.7	176.9	0	0	0	0	0	110.8	T314 A315 T322 L333 L334 L337 A373	T314-A318 WeakPolarHBondContact O-CB 3.48Å; T314-A318 PolarHBondContact O-N 3.02Å; A315-A318 PolarHBondContact O-N 2.83Å; A318-T322 WeakPolarHBondContact O-CB 3.2Å; A318-T322 PolarHBondContact O-N 3.32Å; A318-T322 PolarHBondContact O-OG1 3.04Å; A318-L333 HydrophobicContact CB-CB 3.89Å; A318-L333 HydrophobicContact CB-CD1 4.39Å; A318-L334 HydrophobicContact CB-CD2 3.94Å; A318-L334 HydrophobicContact CB-CG 4.29Å; A318-L337 HydrophobicContact CB-CD1 3.95Å; A318-A373 HydrophobicContact CB-CB 4.08Å
319	Y	97.1	Very high	94.2	Very high	6 Å²	6	26.8 Å²	26.8	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-47.6	174.7	-178	-126.7	0	0	0	112.7	A280 E284 A315 L316 L317 F321 T322 L323 Y369 L372	A280-Y319 HydrophobicContact CB-CD1 4.29Å; A280-Y319 HydrophobicContact CB-CE1 4.31Å; E284-Y319 PolarHBondContact OE1-OH 2.82Å; A315-Y319 PolarHBondContact O-N 2.88Å; A315-Y319 VanDerWaalsContact O-N 3.11Å; L316-Y319 WeakPolarHBondContact O-CB 3.4Å; L316-Y319 PolarHBondContact O-N 3.47Å; L317-Y319 PolarHBondContact O-N 2.93Å; Y319-F321 PolarHBondContact O-N 3.19Å; Y319-T322 VanDerWaalsContact O-CB 3.3Å; Y319-T322 WeakPolarHBondContact O-CB 2.98Å; Y319-T322 PolarHBondContact O-N 2.84Å; Y319-T322 VanDerWaalsContact O-N 3.15Å; Y319-L323 HydrophobicContact CD1-CD1 4.18Å; Y319-L323 HydrophobicContact CD2-CG 4.3Å; Y319-L323 HydrophobicContact CE1-CD1 3.66Å; Y319-L323 HydrophobicContact CE1-CG 4.39Å; Y319-L323 HydrophobicContact CE2-CD1 4.03Å; Y319-L323 HydrophobicContact CE2-CD2 3.94Å; Y319-L323 HydrophobicContact CE2-CG 3.85Å; Y319-L323 PolarHBondContact O-N 3.41Å; Y319-Y369 AromaticContact CD1-CD1 3.7Å; Y319-Y369 HydrophobicContact CD1-CD1 3.7Å; Y319-Y369 AromaticContact CD1-CE1 3.84Å; Y319-Y369 HydrophobicContact CD1-CE1 3.84Å; Y319-Y369 HydrophobicContact CE1-CD1 4.42Å; Y319-Y369 HydrophobicContact CE1-CE1 4.3Å; Y319-Y369 HydrophobicContact CG-CD1 4.06Å; Y319-L372 HydrophobicContact CD2-CB 3.65Å; Y319-L372 HydrophobicContact CE2-CB 3.58Å; Y319-L372 HydrophobicContact CE2-CD1 4.38Å; Y319-L372 HydrophobicContact CE2-CG 4.43Å; Y319-L372 HydrophobicContact CG-CB 4.4Å
320	V	97.2	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-49.7	177.5	170.9	0	0	0	0	111.7	A276 T279 A280 L283 L298 L301 L316 L317 T322 L323 A324	A276-V320 HydrophobicContact CB-CG2 4.16Å; A276-V320 WeakPolarHBondContact O-CG2 3.48Å; T279-V320 HydrophobicContact CG2-CG1 3.84Å; A280-V320 HydrophobicContact CB-CG2 3.82Å; L283-V320 HydrophobicContact CD1-CG1 4.16Å; L298-V320 HydrophobicContact CD2-CG1 3.74Å; L301-V320 HydrophobicContact CD1-CG1 4.05Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 3.46Å; L317-V320 PolarHBondContact O-N 2.95Å; L317-V320 VanDerWaalsContact O-N 3.17Å; V320-T322 VanDerWaalsContact C-N 3.29Å; V320-T322 PolarHBondContact O-N 3.31Å; V320-L323 PolarHBondContact O-N 3.21Å; V320-A324 WeakPolarHBondContact O-CB 3.31Å; V320-A324 PolarHBondContact O-N 3.16Å
321	F	97.4	Very high	95	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-26.1	-179.4	-73.6	-68.6	0	0	0	112.5	L298 L301 K302 I305 L317 Y319 A324 G325 D326 T329 L333	L298-F321 HydrophobicContact CD2-CD1 4.31Å; L298-F321 HydrophobicContact CD2-CE1 4.01Å; L301-F321 HydrophobicContact CB-CE2 4.48Å; L301-F321 HydrophobicContact CB-CZ 4.22Å; K302-F321 HydrophobicContact CD-CE1 4.49Å; K302-F321 HydrophobicContact CG-CE1 3.84Å; K302-F321 HydrophobicContact CG-CZ 3.62Å; I305-F321 HydrophobicContact CG2-CE2 3.76Å; I305-F321 HydrophobicContact CG2-CZ 4.19Å; L317-F321 HydrophobicContact CB-CD2 4.36Å; L317-F321 HydrophobicContact CB-CE2 4.43Å; L317-F321 HydrophobicContact CD2-CE2 4.19Å; L317-F321 WeakPolarHBondContact O-CD2 3.49Å; L317-F321 PolarHBondContact O-N 3.45Å; Y319-F321 PolarHBondContact O-N 3.19Å; F321-A324 PolarHBondContact O-N 3.48Å; F321-G325 PolarHBondContact O-N 3.11Å; F321-D326 HydrophobicContact CB-CB 4.35Å; F321-D326 HydrophobicContact CD1-CB 3.87Å; F321-D326 PolarHBondContact O-N 3.06Å; F321-T329 HydrophobicContact CB-CG2 4.3Å; F321-T329 HydrophobicContact CD1-CG2 3.96Å; F321-T329 HydrophobicContact CD2-CG2 3.5Å; F321-T329 HydrophobicContact CE1-CG2 4.14Å; F321-T329 HydrophobicContact CE2-CG2 3.71Å; F321-T329 HydrophobicContact CG-CG2 3.65Å; F321-T329 HydrophobicContact CZ-CG2 4.03Å; F321-L333 HydrophobicContact CD2-CD1 3.81Å; F321-L333 HydrophobicContact CE2-CD1 4.43Å
322	T	96	Very high	95.3	Very high	7 Å²	7	29 Å²	29	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-49.7	167.4	-58.5	0	0	0	0	110.9	A318 Y319 V320 A324 G325 R330 A373 A377	A318-T322 WeakPolarHBondContact O-CB 3.2Å; A318-T322 PolarHBondContact O-N 3.32Å; A318-T322 PolarHBondContact O-OG1 3.04Å; Y319-T322 VanDerWaalsContact O-CB 3.3Å; Y319-T322 WeakPolarHBondContact O-CB 2.98Å; Y319-T322 PolarHBondContact O-N 2.84Å; Y319-T322 VanDerWaalsContact O-N 3.15Å; V320-T322 VanDerWaalsContact C-N 3.29Å; V320-T322 PolarHBondContact O-N 3.31Å; T322-A324 VanDerWaalsContact C-N 3.3Å; T322-A324 PolarHBondContact O-N 3.07Å; T322-G325 PolarHBondContact O-N 2.73Å; T322-R330 WeakPolarHBondContact OG1-CD 3.18Å; T322-R330 WeakPolarHBondContact OG1-CG 3.32Å; T322-R330 PolarHBondContact OG1-NE 2.68Å; T322-R330 VanDerWaalsContact OG1-NE 3.11Å; T322-A373 WeakPolarHBondContact CG2-O 3.26Å; T322-A373 PolarHBondContact OG1-O 3.03Å; T322-A377 HydrophobicContact CG2-CB 4.03Å
323	L	95.8	Very high	95.6	Very high	51 Å²	51	29 Å²	29	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-64.6	-34.2	178.1	-66.9	175.6	0	0	0	112.6	A280 L283 E284 Y319 V320 G325	A280-L323 HydrophobicContact CB-CD1 4.21Å; L283-L323 HydrophobicContact CB-CB 3.79Å; L283-L323 HydrophobicContact CB-CD1 4.11Å; L283-L323 HydrophobicContact CD1-CB 3.87Å; L283-L323 HydrophobicContact CG-CB 4.43Å; E284-L323 HydrophobicContact CG-CD1 3.86Å; Y319-L323 HydrophobicContact CD1-CD1 4.18Å; Y319-L323 HydrophobicContact CD2-CG 4.3Å; Y319-L323 HydrophobicContact CE1-CD1 3.66Å; Y319-L323 HydrophobicContact CE1-CG 4.39Å; Y319-L323 HydrophobicContact CE2-CD1 4.03Å; Y319-L323 HydrophobicContact CE2-CD2 3.94Å; Y319-L323 HydrophobicContact CE2-CG 3.85Å; Y319-L323 PolarHBondContact O-N 3.41Å; V320-L323 PolarHBondContact O-N 3.21Å; L323-G325 PolarHBondContact O-N 3.4Å
324	A	95.8	Very high	95.8	Very high	19 Å²	19	28.6 Å²	28.6	16%	0.157	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.9	177.6	0	0	0	0	0	113.6	L283 V289 L298 V320 F321 T322 D326	L283-A324 HydrophobicContact CD1-CB 3.96Å; V289-A324 HydrophobicContact CG1-CB 4.17Å; L298-A324 HydrophobicContact CD1-CB 3.98Å; L298-A324 HydrophobicContact CD2-CB 4.01Å; V320-A324 WeakPolarHBondContact O-CB 3.31Å; V320-A324 PolarHBondContact O-N 3.16Å; F321-A324 PolarHBondContact O-N 3.48Å; T322-A324 VanDerWaalsContact C-N 3.3Å; T322-A324 PolarHBondContact O-N 3.07Å; A324-D326 VanDerWaalsContact C-N 3.3Å; A324-D326 PolarHBondContact O-N 3.31Å
325	G	94.9	Very high	95.9	Very high	45 Å²	45	35.3 Å²	35.3	46%	0.464	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	13	-176.9	0	0	0	0	0	114.9	F321 T322 L323 M327	F321-G325 PolarHBondContact O-N 3.11Å; T322-G325 PolarHBondContact O-N 2.73Å; L323-G325 PolarHBondContact O-N 3.4Å; G325-M327 PolarHBondContact O-N 3.36Å; G325-M327 VanDerWaalsContact O-N 3.12Å
326	D	95.6	Very high	95.9	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	20%	0.2	C	C	.	.			trans	-83.6	83.2	176.6	-169.5	-37.7	0	0	0	109.7	K302 F321 A324 E328 T329 R330	K302-D326 WeakPolarHBondContact CE-OD2 3.4Å; K302-D326 IonicContact NZ-OD2 2.63Å; K302-D326 PolarHBondContact NZ-OD2 3.26Å; F321-D326 HydrophobicContact CB-CB 4.35Å; F321-D326 HydrophobicContact CD1-CB 3.87Å; F321-D326 PolarHBondContact O-N 3.06Å; A324-D326 VanDerWaalsContact C-N 3.3Å; A324-D326 PolarHBondContact O-N 3.31Å; D326-E328 VanDerWaalsContact C-N 3.3Å; D326-E328 PolarHBondContact O-N 3.11Å; D326-T329 VanDerWaalsContact OD1-CB 3.26Å; D326-T329 WeakPolarHBondContact OD1-CB 3.43Å; D326-T329 PolarHBondContact OD1-N 3.1Å; D326-T329 PolarHBondContact OD1-OG1 2.66Å; D326-T329 PolarHBondContact OD2-OG1 2.94Å; D326-R330 VanDerWaalsContact O-CB 3.28Å; D326-R330 WeakPolarHBondContact O-CB 3.42Å; D326-R330 PolarHBondContact O-N 3.35Å
327	M	93.8	Very high	95.9	Very high	91 Å²	91	36.9 Å²	36.9	45%	0.448	20%	0.2	S	C	.	.	H	α-helix	trans	-68.8	-26.6	-171.9	-62.6	-58.7	166.1	0	0	113.6	G325 A331 A377	G325-M327 PolarHBondContact O-N 3.36Å; G325-M327 VanDerWaalsContact O-N 3.12Å; M327-A331 VanDerWaalsContact O-CB 3.26Å; M327-A331 WeakPolarHBondContact O-CB 3.15Å; M327-A331 PolarHBondContact O-N 3.16Å; M327-A377 HydrophobicContact CE-CB 4Å; M327-A377 HydrophobicContact SD-CB 4.31Å
328	E	95.8	Very high	95.8	Very high	166 Å²	166	39.1 Å²	39.1	78%	0.776	21%	0.212	S	C	*	.	H	α-helix	trans	-69.9	-52.4	177.7	-174.2	-178.3	178.5	0	0	110.7	D326 R330 A331 H332	D326-E328 VanDerWaalsContact C-N 3.3Å; D326-E328 PolarHBondContact O-N 3.11Å; E328-R330 VanDerWaalsContact C-N 3.31Å; E328-R330 PolarHBondContact O-N 3.43Å; E328-A331 PolarHBondContact O-N 2.83Å; E328-H332 PolarHBondContact O-N 3.41Å
329	T	96.1	Very high	95.7	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-41.8	178.2	-52.3	0	0	0	0	110.8	I305 F321 D326 A331 H332 L333	I305-T329 HydrophobicContact CB-CG2 4.38Å; I305-T329 HydrophobicContact CD1-CG2 4.2Å; I305-T329 HydrophobicContact CG2-CG2 3.77Å; F321-T329 HydrophobicContact CB-CG2 4.3Å; F321-T329 HydrophobicContact CD1-CG2 3.96Å; F321-T329 HydrophobicContact CD2-CG2 3.5Å; F321-T329 HydrophobicContact CE1-CG2 4.14Å; F321-T329 HydrophobicContact CE2-CG2 3.71Å; F321-T329 HydrophobicContact CG-CG2 3.65Å; F321-T329 HydrophobicContact CZ-CG2 4.03Å; D326-T329 VanDerWaalsContact OD1-CB 3.26Å; D326-T329 WeakPolarHBondContact OD1-CB 3.43Å; D326-T329 PolarHBondContact OD1-N 3.1Å; D326-T329 PolarHBondContact OD1-OG1 2.66Å; D326-T329 PolarHBondContact OD2-OG1 2.94Å; T329-A331 PolarHBondContact O-N 3.26Å; T329-H332 PolarHBondContact O-N 2.9Å; T329-L333 HydrophobicContact CG2-CD1 4.03Å; T329-L333 WeakPolarHBondContact O-CG 3.2Å; T329-L333 PolarHBondContact O-N 3.48Å; T329-L333 VanDerWaalsContact O-N 3.09Å
330	R	95.1	Very high	95.5	Very high	36 Å²	36	44.8 Å²	44.8	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-55.8	-50.4	173.4	174.6	-170.9	178.2	-98.4	4.2	111.7	T322 D326 E328 H332 L333 L334 A373 K374	T322-R330 WeakPolarHBondContact OG1-CD 3.18Å; T322-R330 WeakPolarHBondContact OG1-CG 3.32Å; T322-R330 PolarHBondContact OG1-NE 2.68Å; T322-R330 VanDerWaalsContact OG1-NE 3.11Å; D326-R330 VanDerWaalsContact O-CB 3.28Å; D326-R330 WeakPolarHBondContact O-CB 3.42Å; D326-R330 PolarHBondContact O-N 3.35Å; E328-R330 VanDerWaalsContact C-N 3.31Å; E328-R330 PolarHBondContact O-N 3.43Å; R330-H332 VanDerWaalsContact C-N 3.32Å; R330-H332 PolarHBondContact O-N 2.83Å; R330-L333 PolarHBondContact O-N 2.68Å; R330-L334 HydrophobicContact CG-CD1 3.77Å; R330-L334 HydrophobicContact CG-CG 4.29Å; R330-L334 WeakPolarHBondContact O-CB 3.21Å; R330-L334 WeakPolarHBondContact O-CG 3.22Å; R330-L334 PolarHBondContact O-N 3.45Å; R330-A373 PolarHBondContact NE-O 2.94Å; R330-A373 PolarHBondContact NH2-O 2.78Å; R330-K374 PolarHBondContact NH2-O 3.04Å; R330-K374 VanDerWaalsContact NH2-O 3.09Å
331	A	94.8	Very high	95.3	Very high	53 Å²	53	45.7 Å²	45.7	44%	0.438	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-41.9	-177.7	0	0	0	0	0	111.6	M327 E328 T329 L334 Q335	M327-A331 VanDerWaalsContact O-CB 3.26Å; M327-A331 WeakPolarHBondContact O-CB 3.15Å; M327-A331 PolarHBondContact O-N 3.16Å; E328-A331 PolarHBondContact O-N 2.83Å; T329-A331 PolarHBondContact O-N 3.26Å; A331-L334 PolarHBondContact O-N 2.76Å; A331-Q335 VanDerWaalsContact O-CB 3.28Å; A331-Q335 WeakPolarHBondContact O-CB 3.08Å; A331-Q335 PolarHBondContact O-N 2.88Å
332	H	96.8	Very high	95.1	Very high	69 Å²	69	48.4 Å²	48.4	32%	0.319	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-48.6	175.9	178.9	64.7	0	0	0	112.6	N306 F308 E328 T329 R330 Q335 H336	N306-H332 PolarHBondContact OD1-NE2 3.41Å; F308-H332 AromaticContact CZ-CE1 3.99Å; F308-H332 AromaticContact CZ-NE2 3.48Å; F308-H332 WeakPolarHBondContact CZ-NE2 3.23Å; E328-H332 PolarHBondContact O-N 3.41Å; T329-H332 PolarHBondContact O-N 2.9Å; R330-H332 VanDerWaalsContact C-N 3.32Å; R330-H332 PolarHBondContact O-N 2.83Å; H332-Q335 PolarHBondContact O-N 2.78Å; H332-H336 PolarHBondContact O-N 3.21Å
333	L	96.9	Very high	94.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-43.4	180	-65.4	166.5	0	0	0	111.9	I305 F308 T314 L317 A318 F321 T329 R330 Q335 H336 L337	I305-L333 HydrophobicContact CB-CD2 4.27Å; F308-L333 HydrophobicContact CE1-CD2 4.26Å; T314-L333 HydrophobicContact CG2-CB 4.28Å; T314-L333 HydrophobicContact CG2-CD2 3.83Å; L317-L333 HydrophobicContact CB-CD1 3.73Å; A318-L333 HydrophobicContact CB-CB 3.89Å; A318-L333 HydrophobicContact CB-CD1 4.39Å; F321-L333 HydrophobicContact CD2-CD1 3.81Å; F321-L333 HydrophobicContact CE2-CD1 4.43Å; T329-L333 HydrophobicContact CG2-CD1 4.03Å; T329-L333 WeakPolarHBondContact O-CG 3.2Å; T329-L333 PolarHBondContact O-N 3.48Å; T329-L333 VanDerWaalsContact O-N 3.09Å; R330-L333 PolarHBondContact O-N 2.68Å; L333-Q335 VanDerWaalsContact C-N 3.34Å; L333-Q335 PolarHBondContact O-N 2.96Å; L333-H336 PolarHBondContact O-N 2.71Å; L333-L337 WeakPolarHBondContact O-CD1 3.43Å; L333-L337 WeakPolarHBondContact O-CG 3.16Å; L333-L337 PolarHBondContact O-N 3.42Å
334	L	95.3	Very high	94	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-35.8	177.7	-71.4	179.5	0	0	0	112.3	A318 R330 A331 H336 L337 D338 V370 A373 K374	A318-L334 HydrophobicContact CB-CD2 3.94Å; A318-L334 HydrophobicContact CB-CG 4.29Å; R330-L334 HydrophobicContact CG-CD1 3.77Å; R330-L334 HydrophobicContact CG-CG 4.29Å; R330-L334 WeakPolarHBondContact O-CB 3.21Å; R330-L334 WeakPolarHBondContact O-CG 3.22Å; R330-L334 PolarHBondContact O-N 3.45Å; A331-L334 PolarHBondContact O-N 2.76Å; L334-H336 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 3.43Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 PolarHBondContact O-N 3.11Å; L334-D338 WeakPolarHBondContact O-CB 3.27Å; L334-D338 VanDerWaalsContact O-CG 3.26Å; L334-D338 PolarHBondContact O-N 3.4Å; L334-V370 HydrophobicContact CD2-CG1 4.39Å; L334-A373 HydrophobicContact CD2-CB 4.07Å; L334-K374 HydrophobicContact CD1-CD 3.96Å; L334-K374 HydrophobicContact CD1-CG 4.42Å; L334-K374 HydrophobicContact CD2-CD 4.46Å; L334-K374 HydrophobicContact CD2-CG 4.34Å
335	Q	95.6	Very high	92.4	Very high	141 Å²	141	61.8 Å²	61.8	66%	0.659	34%	0.339	S	S	*	.	H	α-helix	trans	-61.7	-42.8	174.7	-176.3	-178	11.2	0	0	111.3	A331 H332 L333 S339	A331-Q335 VanDerWaalsContact O-CB 3.28Å; A331-Q335 WeakPolarHBondContact O-CB 3.08Å; A331-Q335 PolarHBondContact O-N 2.88Å; H332-Q335 PolarHBondContact O-N 2.78Å; L333-Q335 VanDerWaalsContact C-N 3.34Å; L333-Q335 PolarHBondContact O-N 2.96Å; Q335-S339 PolarHBondContact O-N 2.89Å
336	H	95.8	Very high	91	Very high	33 Å²	33	61.8 Å²	61.8	15%	0.153	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-48.2	173.8	-179.6	72.7	0	0	0	111.3	F308 H332 L333 L334 D338 S339 V340	F308-H336 WeakPolarHBondContact CB-NE2 3.26Å; F308-H336 HydrophobicContact CD1-CB 3.95Å; F308-H336 AromaticContact CD1-CD2 3.36Å; F308-H336 WeakPolarHBondContact CD1-CD2 3.27Å; F308-H336 AromaticContact CD1-CG 3.39Å; F308-H336 AromaticContact CD1-ND1 3.88Å; F308-H336 AromaticContact CD1-NE2 3.86Å; F308-H336 AromaticContact CD2-ND1 3.81Å; F308-H336 HydrophobicContact CE1-CB 3.62Å; F308-H336 AromaticContact CE1-CD2 3.98Å; F308-H336 AromaticContact CE1-CG 3.62Å; F308-H336 AromaticContact CG-CD2 3.72Å; F308-H336 AromaticContact CG-CE1 3.65Å; F308-H336 AromaticContact CG-CG 3.67Å; F308-H336 AromaticContact CG-ND1 3.64Å; F308-H336 AromaticContact CG-NE2 3.73Å; F308-H336 HydrophobicContact CZ-CB 3.94Å; H332-H336 PolarHBondContact O-N 3.21Å; L333-H336 PolarHBondContact O-N 2.71Å; L334-H336 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 3.43Å; H336-D338 VanDerWaalsContact C-N 3.3Å; H336-D338 PolarHBondContact O-N 3.38Å; H336-S339 WeakPolarHBondContact O-CA 3.42Å; H336-S339 WeakPolarHBondContact O-CB 3.36Å; H336-S339 PolarHBondContact O-N 2.86Å; H336-S339 PolarHBondContact O-OG 3.45Å; H336-V340 PolarHBondContact O-N 3.42Å
337	L	95.3	Very high	90.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-57.7	-43.1	178.8	-72.6	158.4	0	0	0	111.7	T311 T314 A315 A318 L333 L334 S339 V340 A341 W351 V370	T311-L337 HydrophobicContact CG2-CD2 3.98Å; T314-L337 HydrophobicContact CG2-CD1 4.09Å; T314-L337 HydrophobicContact CG2-CD2 4.16Å; T314-L337 HydrophobicContact CG2-CG 3.85Å; A315-L337 HydrophobicContact CB-CD1 4.41Å; A315-L337 HydrophobicContact CB-CD2 4.19Å; A318-L337 HydrophobicContact CB-CD1 3.95Å; L333-L337 WeakPolarHBondContact O-CD1 3.43Å; L333-L337 WeakPolarHBondContact O-CG 3.16Å; L333-L337 PolarHBondContact O-N 3.42Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 PolarHBondContact O-N 3.11Å; L337-S339 PolarHBondContact O-N 3.2Å; L337-V340 CarbonylContact O-C 3.57Å; L337-V340 WeakPolarHBondContact O-CG2 3.3Å; L337-V340 PolarHBondContact O-N 3.33Å; L337-V340 VanDerWaalsContact O-N 3.15Å; L337-A341 PolarHBondContact O-N 2.69Å; L337-W351 PolarHBondContact O-NE1 3.44Å; L337-V370 HydrophobicContact CD1-CG2 4.07Å; L337-V370 HydrophobicContact CD2-CG2 4.18Å
338	D	94.3	Very high	89.8	Confident	49 Å²	49	60.7 Å²	60.7	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-29.2	177.1	-71.9	-24.3	0	0	0	112.1	L334 H336 K374 Y386	L334-D338 WeakPolarHBondContact O-CB 3.27Å; L334-D338 VanDerWaalsContact O-CG 3.26Å; L334-D338 PolarHBondContact O-N 3.4Å; H336-D338 VanDerWaalsContact C-N 3.3Å; H336-D338 PolarHBondContact O-N 3.38Å; D338-K374 IonicContact OD1-NZ 2.78Å; D338-K374 IonicContact OD2-NZ 3.72Å; D338-K374 PolarHBondContact OD2-NZ 3.13Å; D338-Y386 PolarHBondContact OD1-OH 3.19Å
339	S	94.1	Very high	89.7	Confident	86 Å²	86	53.5 Å²	53.5	60%	0.601	31%	0.31	S	S	*	.	H	α-helix	trans	-73.8	-24.4	176.2	80.7	0	0	0	0	114.3	Q335 H336 L337	Q335-S339 PolarHBondContact O-N 2.89Å; H336-S339 WeakPolarHBondContact O-CA 3.42Å; H336-S339 WeakPolarHBondContact O-CB 3.36Å; H336-S339 PolarHBondContact O-N 2.86Å; H336-S339 PolarHBondContact O-OG 3.45Å; L337-S339 PolarHBondContact O-N 3.2Å
340	V	93.5	Very high	89.6	Confident	39 Å²	39	54 Å²	54	24%	0.236	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	8.3	179.7	-59.8	0	0	0	0	112.8	T311 H336 L337	T311-V340 HydrophobicContact CG2-CG2 4.48Å; H336-V340 PolarHBondContact O-N 3.42Å; L337-V340 CarbonylContact O-C 3.57Å; L337-V340 WeakPolarHBondContact O-CG2 3.3Å; L337-V340 PolarHBondContact O-N 3.33Å; L337-V340 VanDerWaalsContact O-N 3.15Å
341	A	93.5	Very high	89.5	Confident	19 Å²	19	52.3 Å²	52.3	16%	0.157	31%	0.306	C	S	.	.			trans	-66	135.1	178.6	0	0	0	0	0	111.1	L337 I349 W351	L337-A341 PolarHBondContact O-N 2.69Å; A341-I349 HydrophobicContact CB-CG2 4.07Å; A341-W351 HydrophobicContact CB-CZ2 3.71Å
342	I	92.3	Very high	89.2	Confident	58 Å²	58	51.2 Å²	51.2	30%	0.297	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.1	174.5	-55.9	169.1	0	0	0	107.4	I349 H350 S352	I342-I349 WeakPolarHBondContact O-CA 3.49Å; I342-H350 WeakPolarHBondContact CG2-CE1 3.37Å; I342-H350 PolarHBondContact N-O 3.1Å; I342-H350 PolarHBondContact O-N 3.37Å; I342-S352 VanDerWaalsContact CD1-OG 3.3Å; I342-S352 WeakPolarHBondContact CD1-OG 3.37Å
343	K	90	Very high	88.5	Confident	141 Å²	141	49.7 Å²	49.7	61%	0.613	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.9	-178.8	-60.7	-178.4	-176.9	177.5	0	108.5	S348 I349	K343-S348 WeakPolarHBondContact CA-O 3.17Å; K343-I349 HydrophobicContact CG-CG1 4.42Å
344	D	78.9	Confident	86.9	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.353	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	171.7	-177.8	-45.3	-64.1	0	0	0	112.1	G346 S347 S348 H350	D344-G346 PolarHBondContact O-N 3.09Å; D344-S347 PolarHBondContact O-N 3.26Å; D344-S348 WeakPolarHBondContact CB-OG 3.31Å; D344-S348 PolarHBondContact N-O 3.35Å; D344-H350 IonicContact OD1-CE1 3.83Å; D344-H350 IonicContact OD2-CE1 3.78Å; D344-H350 PolarHBondContact OD2-CE1 2.9Å; D344-H350 IonicContact OD2-ND1 3.65Å; D344-H350 PolarHBondContact OD2-ND1 3.42Å
345	V	63	Low	84.8	Confident	150 Å²	150	61.1 Å²	61.1	91%	0.909	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	128.7	173.8	-175	0	0	0	0	109.4
346	G	64	Low	82.2	Confident	46 Å²	46	59.8 Å²	59.8	47%	0.474	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.4	-12.7	-178.9	0	0	0	0	0	114.5	D344 R392	D344-G346 PolarHBondContact O-N 3.09Å; G346-R392 PolarHBondContact O-NH1 2.65Å; G346-R392 PolarHBondContact O-NH2 2.86Å
347	S	77.8	Confident	79.6	Confident	90 Å²	90	65.6 Å²	65.6	63%	0.629	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	25.9	-172.5	-42.9	0	0	0	0	114.5	D344 G389 R392	D344-S347 PolarHBondContact O-N 3.26Å; S347-G389 VanDerWaalsContact O-CA 3.3Å; S347-G389 WeakPolarHBondContact O-CA 3.26Å; S347-R392 VanDerWaalsContact CA-NH2 3.28Å; S347-R392 VanDerWaalsContact CB-NH2 3.28Å; S347-R392 PolarHBondContact O-NH2 3.42Å
348	S	87.4	Confident	77.5	Confident	15 Å²	15	67.9 Å²	67.9	11%	0.105	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.8	168.4	41.4	0	0	0	0	110.4	K343 D344 G389	K343-S348 WeakPolarHBondContact CA-O 3.17Å; D344-S348 WeakPolarHBondContact CB-OG 3.31Å; D344-S348 PolarHBondContact N-O 3.35Å; S348-G389 WeakPolarHBondContact CA-O 3.29Å
349	I	92.9	Very high	76.1	Confident	15 Å²	15	68.1 Å²	68.1	8%	0.077	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.8	-176.5	-51.7	179.6	0	0	0	108.7	A341 I342 K343 W351 Y386 G389 I390	A341-I349 HydrophobicContact CB-CG2 4.07Å; I342-I349 WeakPolarHBondContact O-CA 3.49Å; K343-I349 HydrophobicContact CG-CG1 4.42Å; I349-W351 HydrophobicContact CG2-CH2 3.61Å; I349-W351 HydrophobicContact CG2-CZ2 4.12Å; I349-W351 HydrophobicContact CG2-CZ3 3.99Å; I349-Y386 HydrophobicContact CD1-CD2 3.73Å; I349-Y386 HydrophobicContact CD1-CE1 4.47Å; I349-Y386 HydrophobicContact CD1-CE2 3.47Å; I349-Y386 VanDerWaalsContact CD1-CE2 3.47Å; I349-Y386 HydrophobicContact CD1-CG 4.33Å; I349-G389 PolarHBondContact N-O 2.97Å; I349-I390 HydrophobicContact CB-CG1 4.18Å; I349-I390 HydrophobicContact CG2-CG1 4.48Å; I349-I390 WeakPolarHBondContact O-CA 3.41Å
350	H	93.8	Very high	75	Confident	22 Å²	22	66.3 Å²	66.3	10%	0.102	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	171.9	177.1	74.7	-85.1	0	0	0	112.5	I342 D344 W393	I342-H350 WeakPolarHBondContact CG2-CE1 3.37Å; I342-H350 PolarHBondContact N-O 3.1Å; I342-H350 PolarHBondContact O-N 3.37Å; D344-H350 IonicContact OD1-CE1 3.83Å; D344-H350 IonicContact OD2-CE1 3.78Å; D344-H350 PolarHBondContact OD2-CE1 2.9Å; D344-H350 IonicContact OD2-ND1 3.65Å; D344-H350 PolarHBondContact OD2-ND1 3.42Å; H350-W393 HydrophobicContact CB-CB 4.37Å; H350-W393 HydrophobicContact CB-CD2 3.27Å; H350-W393 VanDerWaalsContact CB-CE2 3.41Å; H350-W393 HydrophobicContact CB-CE3 3.58Å; H350-W393 HydrophobicContact CB-CG 3.61Å; H350-W393 HydrophobicContact CB-CH2 4.17Å; H350-W393 HydrophobicContact CB-CZ2 3.89Å; H350-W393 HydrophobicContact CB-CZ3 4Å; H350-W393 AromaticContact CD2-CE2 3.73Å; H350-W393 AromaticContact CD2-CZ2 3.68Å; H350-W393 AromaticContact CD2-NE1 3.82Å; H350-W393 AromaticContact CE1-NE1 3.76Å; H350-W393 AromaticContact CG-CD1 3.79Å; H350-W393 AromaticContact CG-CD2 3.84Å; H350-W393 AromaticContact CG-CE2 3.43Å; H350-W393 VanDerWaalsContact CG-CE2 3.43Å; H350-W393 AromaticContact CG-CZ2 3.84Å; H350-W393 AromaticContact CG-NE1 3.39Å; H350-W393 AromaticContact ND1-CD1 3.55Å; H350-W393 AromaticContact ND1-CE2 3.91Å; H350-W393 AromaticContact ND1-NE1 3.35Å; H350-W393 PolarHBondContact ND1-NE1 2.89Å
351	W	92.9	Very high	74.1	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	38%	0.384	C	S	.	.			trans	-129	148.1	178.2	-68.8	-96.1	0	0	0	111.1	T311 L337 A341 I349 S363 I366 S367 V370 Y386 I390	T311-W351 HydrophobicContact CG2-CB 4.3Å; L337-W351 PolarHBondContact O-NE1 3.44Å; A341-W351 HydrophobicContact CB-CZ2 3.71Å; I349-W351 HydrophobicContact CG2-CH2 3.61Å; I349-W351 HydrophobicContact CG2-CZ2 4.12Å; I349-W351 HydrophobicContact CG2-CZ3 3.99Å; W351-S363 VanDerWaalsContact O-CA 3.23Å; W351-S363 WeakPolarHBondContact O-CA 3.39Å; W351-S363 WeakPolarHBondContact O-CB 3.31Å; W351-S363 PolarHBondContact O-OG 3.43Å; W351-I366 HydrophobicContact CB-CB 4.26Å; W351-I366 HydrophobicContact CB-CG2 3.46Å; W351-I366 VanDerWaalsContact CB-CG2 3.46Å; W351-I366 HydrophobicContact CG-CG2 4.2Å; W351-S367 PolarHBondContact N-OG 3.49Å; W351-V370 HydrophobicContact CD2-CB 4.47Å; W351-V370 HydrophobicContact CD2-CG2 4.01Å; W351-V370 HydrophobicContact CE3-CB 4.13Å; W351-V370 HydrophobicContact CE3-CG1 4.36Å; W351-V370 HydrophobicContact CE3-CG2 4.1Å; W351-V370 HydrophobicContact CH2-CB 4.16Å; W351-V370 HydrophobicContact CH2-CG1 3.51Å; W351-V370 HydrophobicContact CZ2-CB 4.47Å; W351-V370 HydrophobicContact CZ2-CG1 3.73Å; W351-V370 HydrophobicContact CZ3-CB 3.97Å; W351-V370 HydrophobicContact CZ3-CG1 3.84Å; W351-V370 HydrophobicContact CZ3-CG2 4.4Å; W351-Y386 HydrophobicContact CH2-CE1 4.17Å; W351-I390 HydrophobicContact CH2-CD1 3.71Å; W351-I390 HydrophobicContact CH2-CG1 4.06Å; W351-I390 HydrophobicContact CZ3-CD1 3.68Å; W351-I390 HydrophobicContact CZ3-CG1 3.81Å; W351-I390 HydrophobicContact CZ3-CG2 4.22Å
352	S	88.2	Confident	73.5	Confident	31 Å²	31	65.7 Å²	65.7	22%	0.217	38%	0.384	C	S	.	.			trans	-137.3	161.7	172.2	69.4	0	0	0	0	110.8	T311 I342 S363	T311-S352 PolarHBondContact OG1-O 3.42Å; I342-S352 VanDerWaalsContact CD1-OG 3.3Å; I342-S352 WeakPolarHBondContact CD1-OG 3.37Å; S352-S363 WeakPolarHBondContact CB-OG 3.48Å
353	Q	83.2	Confident	73.3	Confident	36 Å²	36	63.4 Å²	63.4	17%	0.168	37%	0.373	C	S	.	.			trans	-82.4	135.1	170	-178.7	62.3	17.2	0	0	110.1	S309 N310 T311 S355 T358 L362	S309-Q353 PolarHBondContact O-NE2 3.3Å; N310-Q353 PolarHBondContact OD1-OE1 2.68Å; T311-Q353 PolarHBondContact OG1-OE1 3.38Å; Q353-S355 PolarHBondContact O-N 3.1Å; Q353-T358 HydrophobicContact CB-CG2 3.58Å; Q353-T358 VanDerWaalsContact O-CG2 3.22Å; Q353-T358 WeakPolarHBondContact O-CG2 3.18Å; Q353-T358 PolarHBondContact O-OG1 3.17Å; Q353-L362 HydrophobicContact CB-CD2 3.95Å
354	R	63.8	Low	73.3	Confident	179 Å²	179	56.9 Å²	56.9	68%	0.675	35%	0.345	S	S	*	.	S	Bend	trans	-57.6	-8.3	-167.8	-71.3	-176.8	177.4	173.7	1.1	117.7
355	S	50.9	Low	73.8	Confident	67 Å²	67	53.9 Å²	53.9	47%	0.469	33%	0.329	S	S	.	.	S	Bend	trans	-81.1	136.3	178.1	54.3	0	0	0	0	111.5	Q353 E357 T358	Q353-S355 PolarHBondContact O-N 3.1Å; S355-E357 PolarHBondContact O-N 3.32Å; S355-T358 PolarHBondContact O-N 3.46Å; S355-T358 PolarHBondContact O-OG1 3.02Å
356	A	39.8	Very low	75.2	Confident	113 Å²	113	46.7 Å²	46.7	93%	0.934	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-5.9	-180	0	0	0	0	0	115.9
357	E	42.1	Very low	76.7	Confident	155 Å²	155	44.5 Å²	44.5	72%	0.724	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	40.6	175	-65.7	-175.9	166.1	0	0	111.7	S355 S359 K525	S355-E357 PolarHBondContact O-N 3.32Å; E357-S359 PolarHBondContact O-N 3.39Å; E357-K525 IonicContact OE1-NZ 3.27Å; E357-K525 IonicContact OE2-NZ 3.4Å
358	T	51.3	Low	77.5	Confident	48 Å²	48	40.2 Å²	40.2	29%	0.294	23%	0.233	S	C	.	.			trans	-75.2	113.9	177.4	1.6	0	0	0	0	111.4	Q353 S355 A360 L362	Q353-T358 HydrophobicContact CB-CG2 3.58Å; Q353-T358 VanDerWaalsContact O-CG2 3.22Å; Q353-T358 WeakPolarHBondContact O-CG2 3.18Å; Q353-T358 PolarHBondContact O-OG1 3.17Å; S355-T358 PolarHBondContact O-N 3.46Å; S355-T358 PolarHBondContact O-OG1 3.02Å; T358-A360 PolarHBondContact O-N 3.49Å; T358-L362 HydrophobicContact CG2-CD2 4.48Å
359	S	63.8	Low	77.9	Confident	55 Å²	55	39.6 Å²	39.6	39%	0.385	23%	0.228	S	C	.	.			trans	-63.7	130.7	169.4	55.3	0	0	0	0	110	E357 T361 L362	E357-S359 PolarHBondContact O-N 3.39Å; S359-T361 VanDerWaalsContact CB-OG1 3.31Å; S359-T361 WeakPolarHBondContact CB-OG1 3.24Å; S359-T361 PolarHBondContact O-N 2.96Å; S359-T361 PolarHBondContact OG-OG1 3.46Å; S359-L362 PolarHBondContact O-N 2.96Å
360	A	71.4	Confident	78	Confident	47 Å²	47	38.9 Å²	38.9	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-48.4	-29.9	176	0	0	0	0	0	113.4	T358 L362 S363 V364	T358-A360 PolarHBondContact O-N 3.49Å; A360-L362 PolarHBondContact O-N 3.39Å; A360-S363 PolarHBondContact O-N 2.87Å; A360-V364 WeakPolarHBondContact O-CG2 3.18Å; A360-V364 PolarHBondContact O-N 3.39Å; A360-V364 VanDerWaalsContact O-N 3.07Å
361	T	74.8	Confident	78.2	Confident	14 Å²	14	37.9 Å²	37.9	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-53.7	-46.4	173.9	55.7	0	0	0	0	113.2	S359 V364 E365 D409	S359-T361 VanDerWaalsContact CB-OG1 3.31Å; S359-T361 WeakPolarHBondContact CB-OG1 3.24Å; S359-T361 PolarHBondContact O-N 2.96Å; S359-T361 PolarHBondContact OG-OG1 3.46Å; T361-V364 PolarHBondContact O-N 3.24Å; T361-E365 PolarHBondContact O-N 3.24Å; T361-D409 VanDerWaalsContact CA-OD2 3.26Å; T361-D409 WeakPolarHBondContact CA-OD2 3.22Å; T361-D409 WeakPolarHBondContact CB-OD2 3.32Å; T361-D409 VanDerWaalsContact CG2-OD2 3.26Å; T361-D409 WeakPolarHBondContact CG2-OD2 3.37Å; T361-D409 WeakPolarHBondContact O-CB 3.41Å
362	L	80.8	Confident	78.3	Confident	32 Å²	32	38 Å²	38	17%	0.168	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-38.8	-177	-175.3	63.3	0	0	0	110.3	Y312 Q353 T358 S359 A360 V364 E365 I366	Y312-L362 HydrophobicContact CD2-CD1 3.75Å; Y312-L362 HydrophobicContact CE2-CD1 4.31Å; Y312-L362 HydrophobicContact CG-CD1 4.22Å; Q353-L362 HydrophobicContact CB-CD2 3.95Å; T358-L362 HydrophobicContact CG2-CD2 4.48Å; S359-L362 PolarHBondContact O-N 2.96Å; A360-L362 PolarHBondContact O-N 3.39Å; L362-V364 VanDerWaalsContact C-N 3.29Å; L362-V364 PolarHBondContact O-N 3.32Å; L362-E365 PolarHBondContact O-N 3.15Å; L362-I366 HydrophobicContact CD1-CG1 4.45Å; L362-I366 HydrophobicContact CD2-CD1 4.49Å; L362-I366 HydrophobicContact CG-CD1 3.95Å; L362-I366 HydrophobicContact CG-CG1 4.32Å; L362-I366 VanDerWaalsContact O-CG1 3.23Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 3.25Å
363	S	88.7	Confident	78.6	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.063	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-37.8	175.5	-57.3	0	0	0	0	112.3	W351 S352 A360 S367	W351-S363 VanDerWaalsContact O-CA 3.23Å; W351-S363 WeakPolarHBondContact O-CA 3.39Å; W351-S363 WeakPolarHBondContact O-CB 3.31Å; W351-S363 PolarHBondContact O-OG 3.43Å; S352-S363 WeakPolarHBondContact CB-OG 3.48Å; A360-S363 PolarHBondContact O-N 2.87Å; S363-S367 VanDerWaalsContact O-CB 3.27Å; S363-S367 WeakPolarHBondContact O-CB 3.41Å; S363-S367 PolarHBondContact O-N 3.41Å; S363-S367 PolarHBondContact O-OG 3.46Å
364	V	89.8	Confident	79.1	Confident	4 Å²	4	36 Å²	36	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-46.9	173.4	171.3	0	0	0	0	111.2	A360 T361 L362 S368 W393 L394 Q397 F404 D409 A413	A360-V364 WeakPolarHBondContact O-CG2 3.18Å; A360-V364 PolarHBondContact O-N 3.39Å; A360-V364 VanDerWaalsContact O-N 3.07Å; T361-V364 PolarHBondContact O-N 3.24Å; L362-V364 VanDerWaalsContact C-N 3.29Å; L362-V364 PolarHBondContact O-N 3.32Å; V364-S368 VanDerWaalsContact O-CB 3.31Å; V364-S368 WeakPolarHBondContact O-CB 3.26Å; V364-S368 PolarHBondContact O-N 2.89Å; V364-S368 PolarHBondContact O-OG 3.2Å; V364-W393 HydrophobicContact CG2-CH2 3.97Å; V364-W393 HydrophobicContact CG2-CZ3 4.05Å; V364-L394 HydrophobicContact CB-CD2 4.4Å; V364-L394 HydrophobicContact CG1-CD2 3.88Å; V364-Q397 HydrophobicContact CG2-CB 3.7Å; V364-Q397 HydrophobicContact CG2-CG 3.84Å; V364-F404 HydrophobicContact CB-CD1 4.44Å; V364-F404 HydrophobicContact CG1-CD1 3.59Å; V364-F404 HydrophobicContact CG1-CE1 3.87Å; V364-F404 HydrophobicContact CG1-CG 4.12Å; V364-F404 HydrophobicContact CG2-CD1 3.99Å; V364-F404 HydrophobicContact CG2-CE1 4.4Å; V364-D409 HydrophobicContact CB-CB 4.01Å; V364-D409 HydrophobicContact CG1-CB 3.75Å; V364-A413 HydrophobicContact CG1-CB 3.84Å
365	E	89	Confident	80.4	Confident	3 Å²	3	27.6 Å²	27.6	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-47.1	-179.6	-165.9	-174.5	174.4	0	0	112.2	G266 G267 Y312 T361 L362 S367 S368 Y369 Q408 V412	G266-E365 WeakPolarHBondContact CA-OE2 3.32Å; G267-E365 PolarHBondContact N-OE2 3.28Å; Y312-E365 HydrophobicContact CE2-CG 3.9Å; Y312-E365 VanDerWaalsContact CE2-OE1 3.29Å; Y312-E365 WeakPolarHBondContact CE2-OE1 3.33Å; Y312-E365 PolarHBondContact OH-OE1 2.92Å; T361-E365 PolarHBondContact O-N 3.24Å; L362-E365 PolarHBondContact O-N 3.15Å; E365-S367 PolarHBondContact O-N 3.41Å; E365-S368 PolarHBondContact O-N 3.44Å; E365-Y369 HydrophobicContact CG-CD2 4Å; E365-Y369 HydrophobicContact CG-CE2 3.67Å; E365-Y369 WeakPolarHBondContact O-CD2 3.39Å; E365-Y369 PolarHBondContact O-N 3.5Å; E365-Q408 HydrophobicContact CG-CG 4.4Å; E365-Q408 WeakPolarHBondContact OE1-CG 3.25Å; E365-Q408 PolarHBondContact OE1-NE2 2.94Å; E365-V412 HydrophobicContact CG-CG2 4.47Å
366	I	92.1	Very high	82.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-53.2	177.1	-62	169.7	0	0	0	109.7	T311 Y312 A315 W351 L362 S368 Y369 V370	T311-I366 HydrophobicContact CG2-CG2 4.03Å; Y312-I366 HydrophobicContact CD2-CG1 3.81Å; Y312-I366 HydrophobicContact CG-CG1 4.4Å; A315-I366 HydrophobicContact CB-CG2 3.74Å; W351-I366 HydrophobicContact CB-CB 4.26Å; W351-I366 HydrophobicContact CB-CG2 3.46Å; W351-I366 VanDerWaalsContact CB-CG2 3.46Å; W351-I366 HydrophobicContact CG-CG2 4.2Å; L362-I366 HydrophobicContact CD1-CG1 4.45Å; L362-I366 HydrophobicContact CD2-CD1 4.49Å; L362-I366 HydrophobicContact CG-CD1 3.95Å; L362-I366 HydrophobicContact CG-CG1 4.32Å; L362-I366 VanDerWaalsContact O-CG1 3.23Å; L362-I366 WeakPolarHBondContact O-CG1 3.49Å; L362-I366 PolarHBondContact O-N 3.25Å; I366-S368 PolarHBondContact O-N 2.9Å; I366-Y369 PolarHBondContact O-N 3.07Å; I366-Y369 VanDerWaalsContact O-N 3.14Å; I366-V370 WeakPolarHBondContact O-CG2 3.36Å; I366-V370 PolarHBondContact O-N 3.2Å
367	S	95.3	Very high	84.2	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-34.2	-177.6	-54.3	0	0	0	0	112.1	W351 S363 E365 V370 L371	W351-S367 PolarHBondContact N-OG 3.49Å; S363-S367 VanDerWaalsContact O-CB 3.27Å; S363-S367 WeakPolarHBondContact O-CB 3.41Å; S363-S367 PolarHBondContact O-N 3.41Å; S363-S367 PolarHBondContact O-OG 3.46Å; E365-S367 PolarHBondContact O-N 3.41Å; S367-V370 PolarHBondContact O-N 2.97Å; S367-L371 WeakPolarHBondContact O-CB 3.39Å; S367-L371 PolarHBondContact O-N 2.84Å
368	S	95.3	Very high	85.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.3	-39.4	175.8	-57.1	0	0	0	0	112.5	V364 E365 I366 L371 L372 A413	V364-S368 VanDerWaalsContact O-CB 3.31Å; V364-S368 WeakPolarHBondContact O-CB 3.26Å; V364-S368 PolarHBondContact O-N 2.89Å; V364-S368 PolarHBondContact O-OG 3.2Å; E365-S368 PolarHBondContact O-N 3.44Å; I366-S368 PolarHBondContact O-N 2.9Å; S368-L371 WeakPolarHBondContact O-CB 3.38Å; S368-L371 PolarHBondContact O-N 2.83Å; S368-L372 WeakPolarHBondContact O-CG 3.44Å; S368-L372 PolarHBondContact O-N 3.07Å; S368-A413 VanDerWaalsContact OG-CA 3.31Å; S368-A413 WeakPolarHBondContact OG-CA 3.4Å; S368-A413 WeakPolarHBondContact OG-CB 3.13Å
369	Y	95.9	Very high	87.4	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-39	173	-80.1	-58	0	0	0	112.5	Y312 L316 Y319 E365 I366 L371 L372 A373 V412	Y312-Y369 HydrophobicContact CE2-CD2 4.2Å; Y312-Y369 AromaticContact CE2-CE2 3.99Å; Y312-Y369 HydrophobicContact CE2-CE2 3.99Å; L316-Y369 HydrophobicContact CD1-CD1 4.01Å; L316-Y369 HydrophobicContact CD1-CD2 4.43Å; L316-Y369 HydrophobicContact CD1-CE1 3.59Å; L316-Y369 HydrophobicContact CD1-CE2 4.03Å; L316-Y369 HydrophobicContact CD1-CG 4.42Å; Y319-Y369 AromaticContact CD1-CD1 3.7Å; Y319-Y369 HydrophobicContact CD1-CD1 3.7Å; Y319-Y369 AromaticContact CD1-CE1 3.84Å; Y319-Y369 HydrophobicContact CD1-CE1 3.84Å; Y319-Y369 HydrophobicContact CE1-CD1 4.42Å; Y319-Y369 HydrophobicContact CE1-CE1 4.3Å; Y319-Y369 HydrophobicContact CG-CD1 4.06Å; E365-Y369 HydrophobicContact CG-CD2 4Å; E365-Y369 HydrophobicContact CG-CE2 3.67Å; E365-Y369 WeakPolarHBondContact O-CD2 3.39Å; E365-Y369 PolarHBondContact O-N 3.5Å; I366-Y369 PolarHBondContact O-N 3.07Å; I366-Y369 VanDerWaalsContact O-N 3.14Å; Y369-L371 VanDerWaalsContact C-N 3.34Å; Y369-L372 HydrophobicContact CD1-CD1 4.49Å; Y369-L372 PolarHBondContact O-N 2.96Å; Y369-A373 VanDerWaalsContact O-CB 3.32Å; Y369-A373 WeakPolarHBondContact O-CB 2.92Å; Y369-A373 PolarHBondContact O-N 2.91Å; Y369-V412 HydrophobicContact CD1-CG1 4.13Å; Y369-V412 HydrophobicContact CD2-CG1 4.37Å; Y369-V412 HydrophobicContact CE1-CG1 3.97Å; Y369-V412 HydrophobicContact CE2-CG1 4.24Å; Y369-V412 HydrophobicContact CE2-CG2 4.41Å; Y369-V412 HydrophobicContact CG-CG1 4.32Å
370	V	96.2	Very high	88.4	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.3	-178.9	0	0	0	0	110.9	A315 L334 L337 W351 I366 S367 L372 A373 K374 I390	A315-V370 HydrophobicContact CB-CG2 3.8Å; L334-V370 HydrophobicContact CD2-CG1 4.39Å; L337-V370 HydrophobicContact CD1-CG2 4.07Å; L337-V370 HydrophobicContact CD2-CG2 4.18Å; W351-V370 HydrophobicContact CD2-CB 4.47Å; W351-V370 HydrophobicContact CD2-CG2 4.01Å; W351-V370 HydrophobicContact CE3-CB 4.13Å; W351-V370 HydrophobicContact CE3-CG1 4.36Å; W351-V370 HydrophobicContact CE3-CG2 4.1Å; W351-V370 HydrophobicContact CH2-CB 4.16Å; W351-V370 HydrophobicContact CH2-CG1 3.51Å; W351-V370 HydrophobicContact CZ2-CB 4.47Å; W351-V370 HydrophobicContact CZ2-CG1 3.73Å; W351-V370 HydrophobicContact CZ3-CB 3.97Å; W351-V370 HydrophobicContact CZ3-CG1 3.84Å; W351-V370 HydrophobicContact CZ3-CG2 4.4Å; I366-V370 WeakPolarHBondContact O-CG2 3.36Å; I366-V370 PolarHBondContact O-N 3.2Å; S367-V370 PolarHBondContact O-N 2.97Å; V370-L372 PolarHBondContact O-N 2.78Å; V370-A373 PolarHBondContact O-N 2.78Å; V370-K374 HydrophobicContact CG1-CG 4.37Å; V370-K374 WeakPolarHBondContact O-CB 3.35Å; V370-K374 WeakPolarHBondContact O-CG 3.39Å; V370-K374 PolarHBondContact O-N 2.92Å; V370-I390 HydrophobicContact CG1-CD1 4.47Å
371	L	95.9	Very high	88.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-48	175.4	-179.1	58.4	0	0	0	111.5	S367 S368 Y369 K374 L375 A387 I390 V391 L394 A416	S367-L371 WeakPolarHBondContact O-CB 3.39Å; S367-L371 PolarHBondContact O-N 2.84Å; S368-L371 WeakPolarHBondContact O-CB 3.38Å; S368-L371 PolarHBondContact O-N 2.83Å; Y369-L371 VanDerWaalsContact C-N 3.34Å; L371-K374 PolarHBondContact O-N 2.81Å; L371-L375 HydrophobicContact CD1-CD1 3.48Å; L371-L375 VanDerWaalsContact CD1-CD1 3.48Å; L371-L375 HydrophobicContact CD1-CG 4.11Å; L371-L375 HydrophobicContact CG-CD1 3.99Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 WeakPolarHBondContact O-CG 3.47Å; L371-L375 PolarHBondContact O-N 3.42Å; L371-A387 HydrophobicContact CD1-CB 3.57Å; L371-I390 HydrophobicContact CB-CD1 4.4Å; L371-I390 HydrophobicContact CB-CG2 4.18Å; L371-I390 HydrophobicContact CD1-CB 4.44Å; L371-I390 HydrophobicContact CD1-CD1 4.33Å; L371-V391 HydrophobicContact CD1-CG2 4.24Å; L371-V391 HydrophobicContact CD2-CG2 3.69Å; L371-L394 HydrophobicContact CD2-CD1 3.92Å; L371-A416 HydrophobicContact CB-CB 4.36Å; L371-A416 HydrophobicContact CD2-CB 3.8Å; L371-A416 HydrophobicContact CG-CB 4.21Å
372	L	95.4	Very high	89.3	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-46.9	176.1	-72.6	168.7	0	0	0	111.9	Y319 S368 Y369 V370 K374 L375 S376 V412 Q415 A416 F419	Y319-L372 HydrophobicContact CD2-CB 3.65Å; Y319-L372 HydrophobicContact CE2-CB 3.58Å; Y319-L372 HydrophobicContact CE2-CD1 4.38Å; Y319-L372 HydrophobicContact CE2-CG 4.43Å; Y319-L372 HydrophobicContact CG-CB 4.4Å; S368-L372 WeakPolarHBondContact O-CG 3.44Å; S368-L372 PolarHBondContact O-N 3.07Å; Y369-L372 HydrophobicContact CD1-CD1 4.49Å; Y369-L372 PolarHBondContact O-N 2.96Å; V370-L372 PolarHBondContact O-N 2.78Å; L372-K374 VanDerWaalsContact C-N 3.28Å; L372-K374 PolarHBondContact O-N 3.4Å; L372-L375 PolarHBondContact O-N 3.11Å; L372-S376 VanDerWaalsContact O-CB 3.24Å; L372-S376 WeakPolarHBondContact O-CB 3.45Å; L372-S376 PolarHBondContact O-N 2.98Å; L372-S376 PolarHBondContact O-OG 3.35Å; L372-V412 HydrophobicContact CD1-CG1 4.05Å; L372-Q415 HydrophobicContact CD1-CG 4.4Å; L372-Q415 HydrophobicContact CD2-CG 4.24Å; L372-A416 HydrophobicContact CD1-CB 4.27Å; L372-A416 HydrophobicContact CD2-CB 4.11Å; L372-A416 HydrophobicContact CG-CB 3.79Å; L372-F419 HydrophobicContact CD2-CB 4.4Å; L372-F419 HydrophobicContact CD2-CD1 4.43Å
373	A	95	Very high	89.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-36.6	178.6	0	0	0	0	0	112.8	A318 T322 R330 L334 Y369 V370	A318-A373 HydrophobicContact CB-CB 4.08Å; T322-A373 WeakPolarHBondContact CG2-O 3.26Å; T322-A373 PolarHBondContact OG1-O 3.03Å; R330-A373 PolarHBondContact NE-O 2.94Å; R330-A373 PolarHBondContact NH2-O 2.78Å; L334-A373 HydrophobicContact CD2-CB 4.07Å; Y369-A373 VanDerWaalsContact O-CB 3.32Å; Y369-A373 WeakPolarHBondContact O-CB 2.92Å; Y369-A373 PolarHBondContact O-N 2.91Å; V370-A373 PolarHBondContact O-N 2.78Å
374	K	93	Very high	89.4	Confident	26 Å²	26	33.1 Å²	33.1	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-43.6	175.9	-74.5	-80.5	-177.8	172.1	0	111.6	R330 L334 D338 V370 L371 L372	R330-K374 PolarHBondContact NH2-O 3.04Å; R330-K374 VanDerWaalsContact NH2-O 3.09Å; L334-K374 HydrophobicContact CD1-CD 3.96Å; L334-K374 HydrophobicContact CD1-CG 4.42Å; L334-K374 HydrophobicContact CD2-CD 4.46Å; L334-K374 HydrophobicContact CD2-CG 4.34Å; D338-K374 IonicContact OD1-NZ 2.78Å; D338-K374 IonicContact OD2-NZ 3.72Å; D338-K374 PolarHBondContact OD2-NZ 3.13Å; V370-K374 HydrophobicContact CG1-CG 4.37Å; V370-K374 WeakPolarHBondContact O-CB 3.35Å; V370-K374 WeakPolarHBondContact O-CG 3.39Å; V370-K374 PolarHBondContact O-N 2.92Å; L371-K374 PolarHBondContact O-N 2.81Å; L372-K374 VanDerWaalsContact C-N 3.28Å; L372-K374 PolarHBondContact O-N 3.4Å
375	L	92.7	Very high	89.3	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-90.5	-25.8	-170.5	-63	176.5	0	0	0	115.3	L371 L372 A377 L384 A387 F419 Y420 L423	L371-L375 HydrophobicContact CD1-CD1 3.48Å; L371-L375 VanDerWaalsContact CD1-CD1 3.48Å; L371-L375 HydrophobicContact CD1-CG 4.11Å; L371-L375 HydrophobicContact CG-CD1 3.99Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 WeakPolarHBondContact O-CG 3.47Å; L371-L375 PolarHBondContact O-N 3.42Å; L372-L375 PolarHBondContact O-N 3.11Å; L375-A377 PolarHBondContact O-N 2.78Å; L375-A377 VanDerWaalsContact O-O 3.12Å; L375-L384 HydrophobicContact CD2-CD2 3.89Å; L375-A387 HydrophobicContact CD1-CB 4.28Å; L375-A387 HydrophobicContact CD2-CB 3.93Å; L375-A387 HydrophobicContact CG-CB 4.33Å; L375-F419 HydrophobicContact CB-CD1 3.87Å; L375-F419 HydrophobicContact CB-CE1 3.58Å; L375-F419 HydrophobicContact CD1-CD1 4.42Å; L375-F419 WeakPolarHBondContact O-CE1 3.34Å; L375-Y420 HydrophobicContact CD1-CD2 3.83Å; L375-Y420 HydrophobicContact CD1-CG 4.32Å; L375-L423 HydrophobicContact CB-CD1 4.26Å; L375-L423 HydrophobicContact CD1-CD1 4.44Å; L375-L423 HydrophobicContact CD2-CD1 4.31Å
376	S	86.1	Confident	89.2	Confident	43 Å²	43	37.2 Å²	37.2	30%	0.301	23%	0.225	S	C	.	.	S	Bend	trans	-74.2	-8.5	-173.1	-65	0	0	0	0	114.6	L372	L372-S376 VanDerWaalsContact O-CB 3.24Å; L372-S376 WeakPolarHBondContact O-CB 3.45Å; L372-S376 PolarHBondContact O-N 2.98Å; L372-S376 PolarHBondContact O-OG 3.35Å
377	A	84.2	Confident	89.3	Confident	19 Å²	19	37.2 Å²	37.2	16%	0.157	23%	0.225	C	C	.	.	S	Bend	trans	-96.8	-163.5	168.7	0	0	0	0	0	110.8	T322 M327 L375 H379	T322-A377 HydrophobicContact CG2-CB 4.03Å; M327-A377 HydrophobicContact CE-CB 4Å; M327-A377 HydrophobicContact SD-CB 4.31Å; L375-A377 PolarHBondContact O-N 2.78Å; L375-A377 VanDerWaalsContact O-O 3.12Å; A377-H379 PolarHBondContact O-N 2.77Å
378	S	77.3	Confident	89	Confident	108 Å²	108	39.6 Å²	39.6	76%	0.755	24%	0.241	S	C	*	.			trans	-62.5	128.1	166.3	56.1	0	0	0	0	110.1
379	H	82.6	Confident	88.8	Confident	81 Å²	81	39.7 Å²	39.7	38%	0.375	24%	0.242	S	C	.	.			trans	-115.9	143.7	179.8	52.2	-88.5	0	0	0	110.9	A377 D383	A377-H379 PolarHBondContact O-N 2.77Å; H379-D383 HydrophobicContact CB-CB 4.27Å
380	T	84.5	Confident	88.7	Confident	73 Å²	73	39.6 Å²	39.6	45%	0.448	24%	0.242	S	C	.	.			trans	-100.5	169.8	172.6	65.1	0	0	0	0	110.9	E382 D383 L384	T380-E382 PolarHBondContact O-N 2.93Å; T380-E382 PolarHBondContact OG1-N 3.05Å; T380-D383 WeakPolarHBondContact CB-OD2 3.46Å; T380-D383 PolarHBondContact N-OD2 2.72Å; T380-D383 PolarHBondContact O-N 2.95Å; T380-D383 VanDerWaalsContact OG1-CG 3.27Å; T380-D383 PolarHBondContact OG1-N 3.4Å; T380-D383 VanDerWaalsContact OG1-N 3.13Å; T380-D383 PolarHBondContact OG1-OD2 3.21Å; T380-L384 PolarHBondContact O-N 3.41Å; T380-L384 VanDerWaalsContact O-N 3.11Å
381	A	82	Confident	88.6	Confident	87 Å²	87	39.6 Å²	39.6	72%	0.719	24%	0.242	S	C	*	.	H	α-helix	trans	-60.3	-32	171.1	0	0	0	0	0	112.1	L384 G385	A381-L384 PolarHBondContact O-N 3.27Å; A381-G385 PolarHBondContact O-N 3.22Å
382	E	83.6	Confident	88.3	Confident	164 Å²	164	43 Å²	43	77%	0.766	26%	0.255	S	S	*	.	H	α-helix	trans	-67.2	-41	175	-63.8	177.8	-176.8	0	0	111.4	T380 L384 G385 Y386	T380-E382 PolarHBondContact O-N 2.93Å; T380-E382 PolarHBondContact OG1-N 3.05Å; E382-L384 VanDerWaalsContact C-N 3.32Å; E382-L384 PolarHBondContact O-N 2.84Å; E382-G385 PolarHBondContact O-N 2.97Å; E382-Y386 PolarHBondContact O-N 3.35Å
383	D	85.9	Confident	88.1	Confident	42 Å²	42	43.9 Å²	43.9	23%	0.225	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-39.5	175.4	-64.8	-56.9	0	0	0	111.7	H379 T380 Y386 A387	H379-D383 HydrophobicContact CB-CB 4.27Å; T380-D383 WeakPolarHBondContact CB-OD2 3.46Å; T380-D383 PolarHBondContact N-OD2 2.72Å; T380-D383 PolarHBondContact O-N 2.95Å; T380-D383 VanDerWaalsContact OG1-CG 3.27Å; T380-D383 PolarHBondContact OG1-N 3.4Å; T380-D383 VanDerWaalsContact OG1-N 3.13Å; T380-D383 PolarHBondContact OG1-OD2 3.21Å; D383-Y386 PolarHBondContact O-N 2.83Å; D383-A387 WeakPolarHBondContact O-CB 3.47Å; D383-A387 PolarHBondContact O-N 3.3Å
384	L	86.4	Confident	87.9	Confident	39 Å²	39	43.9 Å²	43.9	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-39.9	174.4	-68.4	174.5	0	0	0	111.7	L375 T380 A381 E382 A387 S388 Y420 L423 V424	L375-L384 HydrophobicContact CD2-CD2 3.89Å; T380-L384 PolarHBondContact O-N 3.41Å; T380-L384 VanDerWaalsContact O-N 3.11Å; A381-L384 PolarHBondContact O-N 3.27Å; E382-L384 VanDerWaalsContact C-N 3.32Å; E382-L384 PolarHBondContact O-N 2.84Å; L384-A387 PolarHBondContact O-N 3.4Å; L384-S388 PolarHBondContact O-N 3.46Å; L384-Y420 HydrophobicContact CD2-CE2 4.47Å; L384-L423 HydrophobicContact CD2-CB 4.31Å; L384-L423 HydrophobicContact CD2-CD1 4.37Å; L384-V424 HydrophobicContact CD2-CG1 4.04Å
385	G	86.1	Confident	87.8	Confident	41 Å²	41	42.6 Å²	42.6	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-45.8	173	0	0	0	0	0	112.3	A381 E382 S388	A381-G385 PolarHBondContact O-N 3.22Å; E382-G385 PolarHBondContact O-N 2.97Å; G385-S388 WeakPolarHBondContact O-CB 3.28Å; G385-S388 PolarHBondContact O-N 3.1Å; G385-S388 PolarHBondContact O-OG 3.33Å
386	Y	88.7	Confident	87.6	Confident	51 Å²	51	45.5 Å²	45.5	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-46	175.1	-172.4	-96.8	0	0	0	112	D338 I349 W351 E382 D383 S388 G389 I390	D338-Y386 PolarHBondContact OD1-OH 3.19Å; I349-Y386 HydrophobicContact CD1-CD2 3.73Å; I349-Y386 HydrophobicContact CD1-CE1 4.47Å; I349-Y386 HydrophobicContact CD1-CE2 3.47Å; I349-Y386 VanDerWaalsContact CD1-CE2 3.47Å; I349-Y386 HydrophobicContact CD1-CG 4.33Å; W351-Y386 HydrophobicContact CH2-CE1 4.17Å; E382-Y386 PolarHBondContact O-N 3.35Å; D383-Y386 PolarHBondContact O-N 2.83Å; Y386-S388 PolarHBondContact O-N 2.92Å; Y386-G389 PolarHBondContact O-N 2.92Å; Y386-G389 VanDerWaalsContact O-N 3.1Å; Y386-I390 HydrophobicContact CD1-CD1 4.24Å; Y386-I390 HydrophobicContact CE1-CD1 4.11Å
387	A	92.2	Very high	87.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-34.4	177.5	0	0	0	0	0	112.6	L371 L375 D383 L384 G389 I390 V391 Y420	L371-A387 HydrophobicContact CD1-CB 3.57Å; L375-A387 HydrophobicContact CD1-CB 4.28Å; L375-A387 HydrophobicContact CD2-CB 3.93Å; L375-A387 HydrophobicContact CG-CB 4.33Å; D383-A387 WeakPolarHBondContact O-CB 3.47Å; D383-A387 PolarHBondContact O-N 3.3Å; L384-A387 PolarHBondContact O-N 3.4Å; A387-G389 PolarHBondContact O-N 3Å; A387-I390 WeakPolarHBondContact O-CB 3.39Å; A387-I390 PolarHBondContact O-N 3.4Å; A387-V391 WeakPolarHBondContact O-CG2 3.45Å; A387-V391 PolarHBondContact O-N 3.49Å; A387-Y420 HydrophobicContact CB-CD2 3.99Å; A387-Y420 HydrophobicContact CB-CE2 3.9Å
388	S	89.8	Confident	87.6	Confident	50 Å²	50	45.4 Å²	45.4	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-34.6	176.3	81.5	0	0	0	0	112.7	L384 G385 Y386 I390 V391 R392 Y420	L384-S388 PolarHBondContact O-N 3.46Å; G385-S388 WeakPolarHBondContact O-CB 3.28Å; G385-S388 PolarHBondContact O-N 3.1Å; G385-S388 PolarHBondContact O-OG 3.33Å; Y386-S388 PolarHBondContact O-N 2.92Å; S388-I390 VanDerWaalsContact C-N 3.34Å; S388-I390 PolarHBondContact O-N 2.8Å; S388-V391 PolarHBondContact O-N 3.19Å; S388-R392 WeakPolarHBondContact O-CB 3.36Å; S388-R392 PolarHBondContact O-N 2.95Å; S388-Y420 WeakPolarHBondContact CB-OH 3.46Å
389	G	91.5	Very high	87.7	Confident	2 Å²	2	42.8 Å²	42.8	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-37.7	174.7	0	0	0	0	0	112.6	S347 S348 I349 Y386 A387 W393	S347-G389 VanDerWaalsContact O-CA 3.3Å; S347-G389 WeakPolarHBondContact O-CA 3.26Å; S348-G389 WeakPolarHBondContact CA-O 3.29Å; I349-G389 PolarHBondContact N-O 2.97Å; Y386-G389 PolarHBondContact O-N 2.92Å; Y386-G389 VanDerWaalsContact O-N 3.1Å; A387-G389 PolarHBondContact O-N 3Å; G389-W393 PolarHBondContact O-N 2.94Å
390	I	94.6	Very high	87.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-46.5	175.9	-49.2	174.5	0	0	0	110.6	I349 W351 V370 L371 Y386 A387 S388 R392 W393 L394	I349-I390 HydrophobicContact CB-CG1 4.18Å; I349-I390 HydrophobicContact CG2-CG1 4.48Å; I349-I390 WeakPolarHBondContact O-CA 3.41Å; W351-I390 HydrophobicContact CH2-CD1 3.71Å; W351-I390 HydrophobicContact CH2-CG1 4.06Å; W351-I390 HydrophobicContact CZ3-CD1 3.68Å; W351-I390 HydrophobicContact CZ3-CG1 3.81Å; W351-I390 HydrophobicContact CZ3-CG2 4.22Å; V370-I390 HydrophobicContact CG1-CD1 4.47Å; L371-I390 HydrophobicContact CB-CD1 4.4Å; L371-I390 HydrophobicContact CB-CG2 4.18Å; L371-I390 HydrophobicContact CD1-CB 4.44Å; L371-I390 HydrophobicContact CD1-CD1 4.33Å; Y386-I390 HydrophobicContact CD1-CD1 4.24Å; Y386-I390 HydrophobicContact CE1-CD1 4.11Å; A387-I390 WeakPolarHBondContact O-CB 3.39Å; A387-I390 PolarHBondContact O-N 3.4Å; S388-I390 VanDerWaalsContact C-N 3.34Å; S388-I390 PolarHBondContact O-N 2.8Å; I390-R392 VanDerWaalsContact C-N 3.34Å; I390-R392 PolarHBondContact O-N 3.4Å; I390-W393 PolarHBondContact O-N 3.49Å; I390-L394 HydrophobicContact CG2-CD1 4.19Å; I390-L394 HydrophobicContact CG2-CG 4.47Å; I390-L394 WeakPolarHBondContact O-CG 3.42Å; I390-L394 PolarHBondContact O-N 3.28Å
391	V	92.6	Very high	87	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-40.4	-179	169.8	0	0	0	0	111.8	L96 I131 L371 A387 S388 W393 L394 T395 L417 Y420	L96-V391 HydrophobicContact CD2-CG1 3.87Å; I131-V391 HydrophobicContact CD1-CG1 3.43Å; I131-V391 VanDerWaalsContact CD1-CG1 3.43Å; L371-V391 HydrophobicContact CD1-CG2 4.24Å; L371-V391 HydrophobicContact CD2-CG2 3.69Å; A387-V391 WeakPolarHBondContact O-CG2 3.45Å; A387-V391 PolarHBondContact O-N 3.49Å; S388-V391 PolarHBondContact O-N 3.19Å; V391-W393 VanDerWaalsContact C-N 3.35Å; V391-W393 PolarHBondContact O-N 3.37Å; V391-L394 PolarHBondContact O-N 3.31Å; V391-T395 PolarHBondContact O-N 2.93Å; V391-T395 PolarHBondContact O-OG1 3.42Å; V391-L417 HydrophobicContact CB-CD2 4.33Å; V391-L417 HydrophobicContact CG1-CD2 3.85Å; V391-L417 HydrophobicContact CG2-CD2 4.12Å; V391-Y420 HydrophobicContact CB-CD1 4.28Å; V391-Y420 HydrophobicContact CB-CE1 4.16Å; V391-Y420 HydrophobicContact CG1-CD1 4.01Å; V391-Y420 HydrophobicContact CG1-CE1 3.9Å; V391-Y420 HydrophobicContact CG2-CD1 3.53Å; V391-Y420 HydrophobicContact CG2-CD2 4Å; V391-Y420 HydrophobicContact CG2-CE1 3.81Å; V391-Y420 HydrophobicContact CG2-CE2 4.24Å; V391-Y420 HydrophobicContact CG2-CG 3.62Å
392	R	89.7	Confident	86.5	Confident	73 Å²	73	39 Å²	39	28%	0.275	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-42.3	176.1	-175.9	171	49.7	174.8	-13.4	111.6	G346 S347 S388 I390 T395 T396	G346-R392 PolarHBondContact O-NH1 2.65Å; G346-R392 PolarHBondContact O-NH2 2.86Å; S347-R392 VanDerWaalsContact CA-NH2 3.28Å; S347-R392 VanDerWaalsContact CB-NH2 3.28Å; S347-R392 PolarHBondContact O-NH2 3.42Å; S388-R392 WeakPolarHBondContact O-CB 3.36Å; S388-R392 PolarHBondContact O-N 2.95Å; I390-R392 VanDerWaalsContact C-N 3.34Å; I390-R392 PolarHBondContact O-N 3.4Å; R392-T395 WeakPolarHBondContact O-CB 3.22Å; R392-T395 PolarHBondContact O-N 2.99Å; R392-T396 WeakPolarHBondContact O-CG2 3.44Å; R392-T396 PolarHBondContact O-N 2.67Å
393	W	91.9	Very high	86.1	Confident	20 Å²	20	31.3 Å²	31.3	8%	0.076	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-45.8	174.4	-176.2	87.1	0	0	0	111.9	H350 V364 G389 I390 V391 T395 T396 Q397	H350-W393 HydrophobicContact CB-CB 4.37Å; H350-W393 HydrophobicContact CB-CD2 3.27Å; H350-W393 VanDerWaalsContact CB-CE2 3.41Å; H350-W393 HydrophobicContact CB-CE3 3.58Å; H350-W393 HydrophobicContact CB-CG 3.61Å; H350-W393 HydrophobicContact CB-CH2 4.17Å; H350-W393 HydrophobicContact CB-CZ2 3.89Å; H350-W393 HydrophobicContact CB-CZ3 4Å; H350-W393 AromaticContact CD2-CE2 3.73Å; H350-W393 AromaticContact CD2-CZ2 3.68Å; H350-W393 AromaticContact CD2-NE1 3.82Å; H350-W393 AromaticContact CE1-NE1 3.76Å; H350-W393 AromaticContact CG-CD1 3.79Å; H350-W393 AromaticContact CG-CD2 3.84Å; H350-W393 AromaticContact CG-CE2 3.43Å; H350-W393 VanDerWaalsContact CG-CE2 3.43Å; H350-W393 AromaticContact CG-CZ2 3.84Å; H350-W393 AromaticContact CG-NE1 3.39Å; H350-W393 AromaticContact ND1-CD1 3.55Å; H350-W393 AromaticContact ND1-CE2 3.91Å; H350-W393 AromaticContact ND1-NE1 3.35Å; H350-W393 PolarHBondContact ND1-NE1 2.89Å; V364-W393 HydrophobicContact CG2-CH2 3.97Å; V364-W393 HydrophobicContact CG2-CZ3 4.05Å; G389-W393 PolarHBondContact O-N 2.94Å; I390-W393 PolarHBondContact O-N 3.49Å; V391-W393 VanDerWaalsContact C-N 3.35Å; V391-W393 PolarHBondContact O-N 3.37Å; W393-T395 PolarHBondContact O-N 3.44Å; W393-T396 PolarHBondContact O-N 3.03Å; W393-T396 PolarHBondContact O-OG1 2.88Å; W393-Q397 HydrophobicContact CD2-CG 4.16Å; W393-Q397 HydrophobicContact CE3-CG 4.18Å; W393-Q397 HydrophobicContact CH2-CG 3.79Å; W393-Q397 HydrophobicContact CZ2-CG 3.8Å; W393-Q397 HydrophobicContact CZ3-CG 4.01Å; W393-Q397 PolarHBondContact O-N 3.1Å
394	L	91.6	Very high	85.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-37.1	176.1	-71.6	171.4	0	0	0	111.9	V364 L371 I390 V391 T396 Q397 Q398 F404 L417	V364-L394 HydrophobicContact CB-CD2 4.4Å; V364-L394 HydrophobicContact CG1-CD2 3.88Å; L371-L394 HydrophobicContact CD2-CD1 3.92Å; I390-L394 HydrophobicContact CG2-CD1 4.19Å; I390-L394 HydrophobicContact CG2-CG 4.47Å; I390-L394 WeakPolarHBondContact O-CG 3.42Å; I390-L394 PolarHBondContact O-N 3.28Å; V391-L394 PolarHBondContact O-N 3.31Å; L394-T396 VanDerWaalsContact C-N 3.3Å; L394-T396 PolarHBondContact O-N 3.47Å; L394-Q397 PolarHBondContact O-N 2.63Å; L394-Q397 VanDerWaalsContact O-N 3.1Å; L394-Q398 PolarHBondContact O-N 3.35Å; L394-F404 VanDerWaalsContact O-CE1 3.26Å; L394-F404 WeakPolarHBondContact O-CE1 3.48Å; L394-L417 HydrophobicContact CB-CD2 4.24Å; L394-L417 HydrophobicContact CD1-CD2 4.05Å
395	T	89.3	Confident	84.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-36.2	176.8	-51.4	0	0	0	0	111.9	N94 L96 I131 V391 R392 W393 Q397 Q398	N94-T395 HydrophobicContact CB-CG2 4.35Å; N94-T395 WeakPolarHBondContact CB-O 3.49Å; N94-T395 PolarHBondContact ND2-O 2.61Å; L96-T395 HydrophobicContact CB-CG2 4.17Å; I131-T395 VanDerWaalsContact CD1-OG1 3.28Å; I131-T395 WeakPolarHBondContact CD1-OG1 3.42Å; V391-T395 PolarHBondContact O-N 2.93Å; V391-T395 PolarHBondContact O-OG1 3.42Å; R392-T395 WeakPolarHBondContact O-CB 3.22Å; R392-T395 PolarHBondContact O-N 2.99Å; W393-T395 PolarHBondContact O-N 3.44Å; T395-Q397 PolarHBondContact O-N 3.1Å; T395-Q398 PolarHBondContact O-N 3.01Å
396	T	88.2	Confident	83.9	Confident	63 Å²	63	30.1 Å²	30.1	39%	0.387	15%	0.151	S	C	.	.	H	α-helix	trans	-67.8	-22.2	176.4	75.2	0	0	0	0	112.9	R392 W393 L394	R392-T396 WeakPolarHBondContact O-CG2 3.44Å; R392-T396 PolarHBondContact O-N 2.67Å; W393-T396 PolarHBondContact O-N 3.03Å; W393-T396 PolarHBondContact O-OG1 2.88Å; L394-T396 VanDerWaalsContact C-N 3.3Å; L394-T396 PolarHBondContact O-N 3.47Å
397	Q	87.6	Confident	82.9	Confident	58 Å²	58	29 Å²	29	27%	0.271	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.7	178.9	-55.2	-54.9	-62.9	0	0	113.8	V364 W393 L394 T395 F404	V364-Q397 HydrophobicContact CG2-CB 3.7Å; V364-Q397 HydrophobicContact CG2-CG 3.84Å; W393-Q397 HydrophobicContact CD2-CG 4.16Å; W393-Q397 HydrophobicContact CE3-CG 4.18Å; W393-Q397 HydrophobicContact CH2-CG 3.79Å; W393-Q397 HydrophobicContact CZ2-CG 3.8Å; W393-Q397 HydrophobicContact CZ3-CG 4.01Å; W393-Q397 PolarHBondContact O-N 3.1Å; L394-Q397 PolarHBondContact O-N 2.63Å; L394-Q397 VanDerWaalsContact O-N 3.1Å; T395-Q397 PolarHBondContact O-N 3.1Å; Q397-F404 HydrophobicContact CB-CD1 4.04Å; Q397-F404 HydrophobicContact CB-CE1 4Å
398	Q	84.6	Confident	81.7	Confident	2 Å²	2	29 Å²	29	1%	0.009	15%	0.15	C	C	.	.			trans	-67.8	137.2	177	-73.1	-177.8	-48.7	0	0	111.4	N94 L394 T395 G403 F404	N94-Q398 PolarHBondContact ND2-O 2.95Å; L394-Q398 PolarHBondContact O-N 3.35Å; T395-Q398 PolarHBondContact O-N 3.01Å; Q398-G403 WeakPolarHBondContact CA-O 3.39Å; Q398-F404 HydrophobicContact CG-CE1 3.93Å; Q398-F404 HydrophobicContact CG-CE2 3.95Å; Q398-F404 HydrophobicContact CG-CZ 3.54Å
399	N	79.2	Confident	80.9	Confident	53 Å²	53	26.6 Å²	26.6	28%	0.283	13%	0.133	S	C	.	.			trans	-77.7	177	173.1	67.7	31	0	0	0	111.6	Y401 G402 G403 F404 Q479	N399-Y401 PolarHBondContact O-N 2.81Å; N399-Y401 VanDerWaalsContact O-N 3.08Å; N399-Y401 WeakPolarHBondContact OD1-CA 3.45Å; N399-Y401 PolarHBondContact OD1-N 3.08Å; N399-G402 PolarHBondContact O-N 3.26Å; N399-G402 PolarHBondContact OD1-N 2.51Å; N399-G402 VanDerWaalsContact OD1-N 3.15Å; N399-G403 PolarHBondContact N-O 3.19Å; N399-G403 PolarHBondContact ND2-O 3.12Å; N399-G403 PolarHBondContact OD1-N 3.25Å; N399-G403 PolarHBondContact OD1-O 2.95Å; N399-F404 PolarHBondContact ND2-O 2.89Å; N399-Q479 PolarHBondContact O-NE2 2.93Å
400	Y	76.9	Confident	80.3	Confident	39 Å²	39	27.1 Å²	27.1	15%	0.153	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-31.9	178.1	179.6	-107	0	0	0	113.2	T92 E456 Q479 S481	T92-Y400 HydrophobicContact CG2-CD2 4.47Å; Y400-E456 PolarHBondContact OH-OE1 3.48Å; Y400-Q479 PolarHBondContact O-OE1 2.95Å; Y400-S481 WeakPolarHBondContact CE2-OG 3.41Å
401	Y	73.9	Confident	79.8	Confident	122 Å²	122	27.1 Å²	27.1	48%	0.478	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	0.5	-178.2	-55.9	-71.1	0	0	0	114.3	N138 N399 G403	N138-Y401 WeakPolarHBondContact CB-O 3.17Å; N138-Y401 WeakPolarHBondContact ND2-CA 3.02Å; N138-Y401 PolarHBondContact ND2-O 3.23Å; N399-Y401 PolarHBondContact O-N 2.81Å; N399-Y401 VanDerWaalsContact O-N 3.08Å; N399-Y401 WeakPolarHBondContact OD1-CA 3.45Å; N399-Y401 PolarHBondContact OD1-N 3.08Å; Y401-G403 VanDerWaalsContact C-N 3.27Å; Y401-G403 PolarHBondContact O-N 2.83Å
402	G	73.3	Confident	79.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	77.6	8.3	-177	0	0	0	0	0	114.8	N399	N399-G402 PolarHBondContact O-N 3.26Å; N399-G402 PolarHBondContact OD1-N 2.51Å; N399-G402 VanDerWaalsContact OD1-N 3.15Å
403	G	74.7	Confident	79.6	Confident	3 Å²	3	23.6 Å²	23.6	3%	0.031	12%	0.123	C	C	.	.			trans	-93.6	-172.8	165.9	0	0	0	0	0	111.5	Q398 N399 Y401	Q398-G403 WeakPolarHBondContact CA-O 3.39Å; N399-G403 PolarHBondContact N-O 3.19Å; N399-G403 PolarHBondContact ND2-O 3.12Å; N399-G403 PolarHBondContact OD1-N 3.25Å; N399-G403 PolarHBondContact OD1-O 2.95Å; Y401-G403 VanDerWaalsContact C-N 3.27Å; Y401-G403 PolarHBondContact O-N 2.83Å
404	F	76.9	Confident	79.4	Confident	10 Å²	10	22.7 Å²	22.7	4%	0.044	12%	0.119	C	C	.	.			trans	-117.3	-169.6	176.1	-65.4	-99.1	0	0	0	110.3	V364 L394 Q397 Q398 N399 S406 D409 T410 A413 L417	V364-F404 HydrophobicContact CB-CD1 4.44Å; V364-F404 HydrophobicContact CG1-CD1 3.59Å; V364-F404 HydrophobicContact CG1-CE1 3.87Å; V364-F404 HydrophobicContact CG1-CG 4.12Å; V364-F404 HydrophobicContact CG2-CD1 3.99Å; V364-F404 HydrophobicContact CG2-CE1 4.4Å; L394-F404 VanDerWaalsContact O-CE1 3.26Å; L394-F404 WeakPolarHBondContact O-CE1 3.48Å; Q397-F404 HydrophobicContact CB-CD1 4.04Å; Q397-F404 HydrophobicContact CB-CE1 4Å; Q398-F404 HydrophobicContact CG-CE1 3.93Å; Q398-F404 HydrophobicContact CG-CE2 3.95Å; Q398-F404 HydrophobicContact CG-CZ 3.54Å; N399-F404 PolarHBondContact ND2-O 2.89Å; F404-S406 VanDerWaalsContact C-N 3.3Å; F404-S406 PolarHBondContact O-N 3.09Å; F404-D409 HydrophobicContact CB-CB 4.5Å; F404-D409 WeakPolarHBondContact CB-OD1 3.48Å; F404-T410 WeakPolarHBondContact CA-OG1 3.41Å; F404-T410 WeakPolarHBondContact CB-OG1 3.44Å; F404-T410 HydrophobicContact CD2-CG2 4.49Å; F404-T410 PolarHBondContact N-OG1 2.48Å; F404-A413 HydrophobicContact CD2-CB 3.85Å; F404-A413 HydrophobicContact CE1-CB 4.14Å; F404-A413 HydrophobicContact CE2-CB 3.43Å; F404-A413 VanDerWaalsContact CE2-CB 3.43Å; F404-A413 HydrophobicContact CG-CB 4.38Å; F404-A413 HydrophobicContact CZ-CB 3.58Å; F404-L417 HydrophobicContact CE2-CD1 4.37Å; F404-L417 HydrophobicContact CZ-CD1 4.04Å
405	S	68.3	Low	79.4	Confident	69 Å²	69	23.6 Å²	23.6	48%	0.483	12%	0.123	S	C	.	.	S	Bend	trans	-74.5	-16.7	-170.8	-72.4	0	0	0	0	113.9	R263	R263-S405 PolarHBondContact NH1-O 3.11Å; R263-S405 VanDerWaalsContact NH1-O 3.11Å
406	S	66.2	Low	79.6	Confident	17 Å²	17	23.6 Å²	23.6	12%	0.119	12%	0.123	C	C	.	.	S	Bend	trans	-146.4	178.5	179.5	75.2	0	0	0	0	113.8	F404 D409 T410	F404-S406 VanDerWaalsContact C-N 3.3Å; F404-S406 PolarHBondContact O-N 3.09Å; S406-D409 WeakPolarHBondContact CA-OD1 3.18Å; S406-D409 WeakPolarHBondContact CB-OD2 3.44Å; S406-D409 VanDerWaalsContact N-CG 3.34Å; S406-D409 PolarHBondContact N-OD1 3.37Å; S406-D409 PolarHBondContact N-OD2 2.91Å; S406-D409 PolarHBondContact OG-OD1 3.3Å; S406-D409 PolarHBondContact OG-OD2 2.81Å; S406-T410 WeakPolarHBondContact O-CB 3.22Å; S406-T410 PolarHBondContact O-N 2.94Å; S406-T410 PolarHBondContact O-OG1 2.72Å
407	T	67.4	Low	79.7	Confident	27 Å²	27	20.6 Å²	20.6	17%	0.166	11%	0.105	C	C	.	.	H	α-helix	trans	-68.6	-49	179.4	-56	0	0	0	0	112.1	A155 M264 T410 V411	A155-T407 VanDerWaalsContact CA-CG2 3.43Å; A155-T407 HydrophobicContact CB-CG2 3.3Å; M264-T407 HydrophobicContact CE-CG2 4.4Å; M264-T407 HydrophobicContact CG-CG2 3.62Å; M264-T407 HydrophobicContact SD-CG2 4.4Å; T407-T410 PolarHBondContact O-N 2.78Å; T407-V411 HydrophobicContact CG2-CG2 4.5Å; T407-V411 VanDerWaalsContact O-CG2 3.27Å; T407-V411 WeakPolarHBondContact O-CG2 3.32Å; T407-V411 PolarHBondContact O-N 3.48Å
408	Q	68.5	Low	79.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.2	-43.6	-172	-176.5	58.1	7.1	0	0	112	R263 M264 E365 T410 V411 V412	R263-Q408 WeakPolarHBondContact O-CB 3.01Å; M264-Q408 WeakPolarHBondContact O-CB 3.31Å; M264-Q408 VanDerWaalsContact O-CD 3.3Å; M264-Q408 VanDerWaalsContact O-CG 3.26Å; M264-Q408 WeakPolarHBondContact O-CG 3.43Å; M264-Q408 PolarHBondContact O-OE1 2.88Å; E365-Q408 HydrophobicContact CG-CG 4.4Å; E365-Q408 WeakPolarHBondContact OE1-CG 3.25Å; E365-Q408 PolarHBondContact OE1-NE2 2.94Å; Q408-T410 VanDerWaalsContact C-N 3.27Å; Q408-T410 PolarHBondContact O-N 2.94Å; Q408-V411 PolarHBondContact O-N 3.5Å; Q408-V412 WeakPolarHBondContact O-CG2 2.77Å; Q408-V412 PolarHBondContact O-N 3.28Å
409	D	71.9	Confident	80.1	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-40.7	175.1	62.2	25	0	0	0	110.8	T361 V364 F404 S406 V411 A413	T361-D409 VanDerWaalsContact CA-OD2 3.26Å; T361-D409 WeakPolarHBondContact CA-OD2 3.22Å; T361-D409 WeakPolarHBondContact CB-OD2 3.32Å; T361-D409 VanDerWaalsContact CG2-OD2 3.26Å; T361-D409 WeakPolarHBondContact CG2-OD2 3.37Å; T361-D409 WeakPolarHBondContact O-CB 3.41Å; V364-D409 HydrophobicContact CB-CB 4.01Å; V364-D409 HydrophobicContact CG1-CB 3.75Å; F404-D409 HydrophobicContact CB-CB 4.5Å; F404-D409 WeakPolarHBondContact CB-OD1 3.48Å; S406-D409 WeakPolarHBondContact CA-OD1 3.18Å; S406-D409 WeakPolarHBondContact CB-OD2 3.44Å; S406-D409 VanDerWaalsContact N-CG 3.34Å; S406-D409 PolarHBondContact N-OD1 3.37Å; S406-D409 PolarHBondContact N-OD2 2.91Å; S406-D409 PolarHBondContact OG-OD1 3.3Å; S406-D409 PolarHBondContact OG-OD2 2.81Å; D409-V411 PolarHBondContact O-N 3.33Å; D409-A413 WeakPolarHBondContact O-CA 3Å; D409-A413 WeakPolarHBondContact O-CB 3.23Å; D409-A413 PolarHBondContact O-N 3.23Å
410	T	79.1	Confident	80.7	Confident	12 Å²	12	20 Å²	20	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-44.9	176.3	-61.8	0	0	0	0	111.3	P159 F404 S406 T407 Q408 L414	P159-T410 HydrophobicContact CG-CG2 4.45Å; F404-T410 WeakPolarHBondContact CA-OG1 3.41Å; F404-T410 WeakPolarHBondContact CB-OG1 3.44Å; F404-T410 HydrophobicContact CD2-CG2 4.49Å; F404-T410 PolarHBondContact N-OG1 2.48Å; S406-T410 WeakPolarHBondContact O-CB 3.22Å; S406-T410 PolarHBondContact O-N 2.94Å; S406-T410 PolarHBondContact O-OG1 2.72Å; T407-T410 PolarHBondContact O-N 2.78Å; Q408-T410 VanDerWaalsContact C-N 3.27Å; Q408-T410 PolarHBondContact O-N 2.94Å; T410-L414 HydrophobicContact CG2-CD1 3.6Å; T410-L414 HydrophobicContact CG2-CG 4.18Å; T410-L414 WeakPolarHBondContact O-CB 3.42Å; T410-L414 WeakPolarHBondContact O-CG 3.33Å; T410-L414 PolarHBondContact O-N 3.41Å
411	V	83.6	Confident	81.2	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.6	-50.9	-178.8	168.3	0	0	0	0	111.6	A158 P159 Y162 F217 T407 Q408 D409 Q415	A158-V411 HydrophobicContact CB-CG1 4.21Å; A158-V411 HydrophobicContact CB-CG2 3.81Å; P159-V411 HydrophobicContact CG-CG2 3.88Å; Y162-V411 HydrophobicContact CD2-CG1 4.3Å; Y162-V411 HydrophobicContact CE2-CG1 3.65Å; F217-V411 HydrophobicContact CE2-CG1 4.06Å; F217-V411 HydrophobicContact CZ-CG1 4.37Å; F217-V411 HydrophobicContact CZ-CG2 4.18Å; T407-V411 HydrophobicContact CG2-CG2 4.5Å; T407-V411 VanDerWaalsContact O-CG2 3.27Å; T407-V411 WeakPolarHBondContact O-CG2 3.32Å; T407-V411 PolarHBondContact O-N 3.48Å; Q408-V411 PolarHBondContact O-N 3.5Å; D409-V411 PolarHBondContact O-N 3.33Å; V411-Q415 WeakPolarHBondContact O-CB 3.29Å; V411-Q415 PolarHBondContact O-N 3.29Å
412	V	87.9	Confident	81.8	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-71	-38.7	-177.5	-174.3	0	0	0	0	110.6	E365 Y369 L372 Q408 Q415 A416	E365-V412 HydrophobicContact CG-CG2 4.47Å; Y369-V412 HydrophobicContact CD1-CG1 4.13Å; Y369-V412 HydrophobicContact CD2-CG1 4.37Å; Y369-V412 HydrophobicContact CE1-CG1 3.97Å; Y369-V412 HydrophobicContact CE2-CG1 4.24Å; Y369-V412 HydrophobicContact CE2-CG2 4.41Å; Y369-V412 HydrophobicContact CG-CG1 4.32Å; L372-V412 HydrophobicContact CD1-CG1 4.05Å; Q408-V412 WeakPolarHBondContact O-CG2 2.77Å; Q408-V412 PolarHBondContact O-N 3.28Å; V412-Q415 WeakPolarHBondContact O-CB 3.37Å; V412-Q415 PolarHBondContact O-N 3.33Å; V412-A416 WeakPolarHBondContact O-CB 3.42Å; V412-A416 PolarHBondContact O-N 2.85Å
413	A	89.8	Confident	82.5	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.7	-44.1	175.7	0	0	0	0	0	111.7	V364 S368 F404 D409 Q415 A416 L417	V364-A413 HydrophobicContact CG1-CB 3.84Å; S368-A413 VanDerWaalsContact OG-CA 3.31Å; S368-A413 WeakPolarHBondContact OG-CA 3.4Å; S368-A413 WeakPolarHBondContact OG-CB 3.13Å; F404-A413 HydrophobicContact CD2-CB 3.85Å; F404-A413 HydrophobicContact CE1-CB 4.14Å; F404-A413 HydrophobicContact CE2-CB 3.43Å; F404-A413 VanDerWaalsContact CE2-CB 3.43Å; F404-A413 HydrophobicContact CG-CB 4.38Å; F404-A413 HydrophobicContact CZ-CB 3.58Å; D409-A413 WeakPolarHBondContact O-CA 3Å; D409-A413 WeakPolarHBondContact O-CB 3.23Å; D409-A413 PolarHBondContact O-N 3.23Å; A413-Q415 VanDerWaalsContact C-N 3.31Å; A413-Q415 PolarHBondContact O-N 2.68Å; A413-A416 PolarHBondContact O-N 3.13Å; A413-L417 VanDerWaalsContact O-CB 3.27Å; A413-L417 WeakPolarHBondContact O-CB 3.44Å; A413-L417 WeakPolarHBondContact O-CG 3.38Å; A413-L417 PolarHBondContact O-N 2.88Å
414	L	88.6	Confident	83	Confident	1 Å²	1	20 Å²	20	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-35.3	175.8	-71.8	174.6	0	0	0	112	L132 A135 P159 I163 T410 S418	L132-L414 HydrophobicContact CD2-CD2 3.74Å; A135-L414 HydrophobicContact CB-CD2 4.06Å; P159-L414 HydrophobicContact CB-CD1 3.75Å; I163-L414 HydrophobicContact CD1-CD1 4.45Å; T410-L414 HydrophobicContact CG2-CD1 3.6Å; T410-L414 HydrophobicContact CG2-CG 4.18Å; T410-L414 WeakPolarHBondContact O-CB 3.42Å; T410-L414 WeakPolarHBondContact O-CG 3.33Å; T410-L414 PolarHBondContact O-N 3.41Å; L414-S418 WeakPolarHBondContact O-CB 3.32Å; L414-S418 PolarHBondContact O-N 2.81Å; L414-S418 PolarHBondContact O-OG 2.89Å
415	Q	91.2	Very high	83.4	Confident	18 Å²	18	22.2 Å²	22.2	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-47.2	171	-178.3	-171	8.4	0	0	111.4	Y162 R220 E284 L372 V411 V412 A413 S418 F419	Y162-Q415 HydrophobicContact CD1-CB 3.74Å; Y162-Q415 HydrophobicContact CD1-CG 3.71Å; Y162-Q415 HydrophobicContact CD2-CB 4.35Å; Y162-Q415 HydrophobicContact CE1-CB 3.82Å; Y162-Q415 HydrophobicContact CE1-CG 3.53Å; Y162-Q415 HydrophobicContact CE2-CB 4.45Å; Y162-Q415 HydrophobicContact CG-CB 4.01Å; Y162-Q415 HydrophobicContact CG-CG 4.48Å; R220-Q415 VanDerWaalsContact NH2-CD 3.27Å; E284-Q415 PolarHBondContact OE1-NE2 3Å; E284-Q415 VanDerWaalsContact OE1-NE2 3.17Å; L372-Q415 HydrophobicContact CD1-CG 4.4Å; L372-Q415 HydrophobicContact CD2-CG 4.24Å; V411-Q415 WeakPolarHBondContact O-CB 3.29Å; V411-Q415 PolarHBondContact O-N 3.29Å; V412-Q415 WeakPolarHBondContact O-CB 3.37Å; V412-Q415 PolarHBondContact O-N 3.33Å; A413-Q415 VanDerWaalsContact C-N 3.31Å; A413-Q415 PolarHBondContact O-N 2.68Å; Q415-S418 WeakPolarHBondContact CA-OG 3.38Å; Q415-S418 PolarHBondContact O-OG 2.88Å; Q415-F419 VanDerWaalsContact O-CB 3.3Å; Q415-F419 WeakPolarHBondContact O-CB 3.25Å; Q415-F419 PolarHBondContact O-N 2.93Å
416	A	93.2	Very high	84.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-44	-178	0	0	0	0	0	112.1	L371 L372 V412 A413 F419 Y420	L371-A416 HydrophobicContact CB-CB 4.36Å; L371-A416 HydrophobicContact CD2-CB 3.8Å; L371-A416 HydrophobicContact CG-CB 4.21Å; L372-A416 HydrophobicContact CD1-CB 4.27Å; L372-A416 HydrophobicContact CD2-CB 4.11Å; L372-A416 HydrophobicContact CG-CB 3.79Å; V412-A416 WeakPolarHBondContact O-CB 3.42Å; V412-A416 PolarHBondContact O-N 2.85Å; A413-A416 PolarHBondContact O-N 3.13Å; A416-F419 PolarHBondContact O-N 3.15Å; A416-Y420 WeakPolarHBondContact O-CB 3.13Å; A416-Y420 PolarHBondContact O-N 2.82Å
417	L	91.8	Very high	84.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-44.9	175.7	-68.1	-178	0	0	0	111.4	I131 L132 V391 L394 F404 A413 F419 Y420 S421	I131-L417 HydrophobicContact CD1-CD1 4.23Å; I131-L417 HydrophobicContact CD1-CD2 3.72Å; I131-L417 HydrophobicContact CD1-CG 4.46Å; L132-L417 HydrophobicContact CD2-CB 3.99Å; V391-L417 HydrophobicContact CB-CD2 4.33Å; V391-L417 HydrophobicContact CG1-CD2 3.85Å; V391-L417 HydrophobicContact CG2-CD2 4.12Å; L394-L417 HydrophobicContact CB-CD2 4.24Å; L394-L417 HydrophobicContact CD1-CD2 4.05Å; F404-L417 HydrophobicContact CE2-CD1 4.37Å; F404-L417 HydrophobicContact CZ-CD1 4.04Å; A413-L417 VanDerWaalsContact O-CB 3.27Å; A413-L417 WeakPolarHBondContact O-CB 3.44Å; A413-L417 WeakPolarHBondContact O-CG 3.38Å; A413-L417 PolarHBondContact O-N 2.88Å; L417-F419 VanDerWaalsContact C-N 3.32Å; L417-F419 PolarHBondContact O-N 2.93Å; L417-Y420 PolarHBondContact O-N 2.75Å; L417-S421 WeakPolarHBondContact O-CB 3.17Å; L417-S421 PolarHBondContact O-N 2.59Å; L417-S421 PolarHBondContact O-OG 3.23Å
418	S	89.9	Confident	85.4	Confident	9 Å²	9	31 Å²	31	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-41.4	175.4	52.7	0	0	0	0	112.5	L414 Q415 S422	L414-S418 WeakPolarHBondContact O-CB 3.32Å; L414-S418 PolarHBondContact O-N 2.81Å; L414-S418 PolarHBondContact O-OG 2.89Å; Q415-S418 WeakPolarHBondContact CA-OG 3.38Å; Q415-S418 PolarHBondContact O-OG 2.88Å; S418-S422 WeakPolarHBondContact O-CB 3.26Å; S418-S422 PolarHBondContact O-N 2.71Å; S418-S422 PolarHBondContact O-OG 2.83Å
419	F	90.2	Very high	86.2	Confident	65 Å²	65	32.1 Å²	32.1	29%	0.285	18%	0.179	S	C	.	.	H	α-helix	trans	-64.8	-52.8	177.3	-171.2	-117	0	0	0	111.3	L372 L375 Q415 A416 L417 S421 S422 L423	L372-F419 HydrophobicContact CD2-CB 4.4Å; L372-F419 HydrophobicContact CD2-CD1 4.43Å; L375-F419 HydrophobicContact CB-CD1 3.87Å; L375-F419 HydrophobicContact CB-CE1 3.58Å; L375-F419 HydrophobicContact CD1-CD1 4.42Å; L375-F419 WeakPolarHBondContact O-CE1 3.34Å; Q415-F419 VanDerWaalsContact O-CB 3.3Å; Q415-F419 WeakPolarHBondContact O-CB 3.25Å; Q415-F419 PolarHBondContact O-N 2.93Å; A416-F419 PolarHBondContact O-N 3.15Å; L417-F419 VanDerWaalsContact C-N 3.32Å; L417-F419 PolarHBondContact O-N 2.93Å; F419-S421 PolarHBondContact O-N 3.04Å; F419-S422 PolarHBondContact O-N 3.36Å; F419-S422 PolarHBondContact O-OG 2.99Å; F419-L423 HydrophobicContact CD1-CD1 4.4Å; F419-L423 HydrophobicContact CE1-CD1 4.05Å; F419-L423 HydrophobicContact CZ-CD1 4.32Å; F419-L423 WeakPolarHBondContact O-CG 3.41Å; F419-L423 PolarHBondContact O-N 3.08Å
420	Y	91.3	Very high	87.2	Confident	28 Å²	28	35.2 Å²	35.2	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-56.1	-50.2	176	172.2	-96.6	0	0	0	112	L375 L384 A387 S388 V391 A416 L417 S422 L423 V424	L375-Y420 HydrophobicContact CD1-CD2 3.83Å; L375-Y420 HydrophobicContact CD1-CG 4.32Å; L384-Y420 HydrophobicContact CD2-CE2 4.47Å; A387-Y420 HydrophobicContact CB-CD2 3.99Å; A387-Y420 HydrophobicContact CB-CE2 3.9Å; S388-Y420 WeakPolarHBondContact CB-OH 3.46Å; V391-Y420 HydrophobicContact CB-CD1 4.28Å; V391-Y420 HydrophobicContact CB-CE1 4.16Å; V391-Y420 HydrophobicContact CG1-CD1 4.01Å; V391-Y420 HydrophobicContact CG1-CE1 3.9Å; V391-Y420 HydrophobicContact CG2-CD1 3.53Å; V391-Y420 HydrophobicContact CG2-CD2 4Å; V391-Y420 HydrophobicContact CG2-CE1 3.81Å; V391-Y420 HydrophobicContact CG2-CE2 4.24Å; V391-Y420 HydrophobicContact CG2-CG 3.62Å; A416-Y420 WeakPolarHBondContact O-CB 3.13Å; A416-Y420 PolarHBondContact O-N 2.82Å; L417-Y420 PolarHBondContact O-N 2.75Å; Y420-S422 PolarHBondContact O-N 3.28Å; Y420-L423 WeakPolarHBondContact O-CA 3.42Å; Y420-L423 WeakPolarHBondContact O-CB 3.45Å; Y420-L423 PolarHBondContact O-N 3.3Å; Y420-V424 HydrophobicContact CD1-CG2 3.89Å; Y420-V424 HydrophobicContact CD2-CG1 4.28Å; Y420-V424 HydrophobicContact CE1-CB 4.46Å; Y420-V424 HydrophobicContact CE1-CG1 4.2Å; Y420-V424 HydrophobicContact CE1-CG2 3.47Å; Y420-V424 VanDerWaalsContact CE1-CG2 3.47Å; Y420-V424 HydrophobicContact CE2-CG1 3.74Å; Y420-V424 PolarHBondContact O-N 2.89Å; Y420-V424 VanDerWaalsContact O-N 3.08Å
421	S	87.9	Confident	88	Confident	7 Å²	7	34.8 Å²	34.8	5%	0.049	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-34.1	-179.4	-66.6	0	0	0	0	112	I131 L417 F419 L423 V424 F425	I131-S421 WeakPolarHBondContact CG2-OG 3.43Å; L417-S421 WeakPolarHBondContact O-CB 3.17Å; L417-S421 PolarHBondContact O-N 2.59Å; L417-S421 PolarHBondContact O-OG 3.23Å; F419-S421 PolarHBondContact O-N 3.04Å; S421-L423 VanDerWaalsContact C-N 3.26Å; S421-L423 PolarHBondContact O-N 2.8Å; S421-V424 PolarHBondContact O-N 3.3Å; S421-F425 WeakPolarHBondContact O-CA 3.3Å; S421-F425 WeakPolarHBondContact O-CB 3.19Å; S421-F425 PolarHBondContact O-N 3.47Å
422	S	87.3	Confident	88.5	Confident	33 Å²	33	37.3 Å²	37.3	23%	0.231	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-25.7	174.2	74.4	0	0	0	0	113.7	S418 F419 Y420	S418-S422 WeakPolarHBondContact O-CB 3.26Å; S418-S422 PolarHBondContact O-N 2.71Å; S418-S422 PolarHBondContact O-OG 2.83Å; F419-S422 PolarHBondContact O-N 3.36Å; F419-S422 PolarHBondContact O-OG 2.99Å; Y420-S422 PolarHBondContact O-N 3.28Å
423	L	87.3	Confident	88.9	Confident	61 Å²	61	37.3 Å²	37.3	32%	0.319	21%	0.214	S	C	.	.	H	α-helix	trans	-82.9	-35.3	177.3	-61.6	176.1	0	0	0	112.6	L375 L384 F419 Y420 S421	L375-L423 HydrophobicContact CB-CD1 4.26Å; L375-L423 HydrophobicContact CD1-CD1 4.44Å; L375-L423 HydrophobicContact CD2-CD1 4.31Å; L384-L423 HydrophobicContact CD2-CB 4.31Å; L384-L423 HydrophobicContact CD2-CD1 4.37Å; F419-L423 HydrophobicContact CD1-CD1 4.4Å; F419-L423 HydrophobicContact CE1-CD1 4.05Å; F419-L423 HydrophobicContact CZ-CD1 4.32Å; F419-L423 WeakPolarHBondContact O-CG 3.41Å; F419-L423 PolarHBondContact O-N 3.08Å; Y420-L423 WeakPolarHBondContact O-CA 3.42Å; Y420-L423 WeakPolarHBondContact O-CB 3.45Å; Y420-L423 PolarHBondContact O-N 3.3Å; S421-L423 VanDerWaalsContact C-N 3.26Å; S421-L423 PolarHBondContact O-N 2.8Å
424	V	85.5	Confident	89.2	Confident	62 Å²	62	38.9 Å²	38.9	38%	0.376	22%	0.224	S	C	.	.	H	α-helix	trans	-100.9	2.2	-177	-55.5	0	0	0	0	113.9	L384 Y420 S421 S426	L384-V424 HydrophobicContact CD2-CG1 4.04Å; Y420-V424 HydrophobicContact CD1-CG2 3.89Å; Y420-V424 HydrophobicContact CD2-CG1 4.28Å; Y420-V424 HydrophobicContact CE1-CB 4.46Å; Y420-V424 HydrophobicContact CE1-CG1 4.2Å; Y420-V424 HydrophobicContact CE1-CG2 3.47Å; Y420-V424 VanDerWaalsContact CE1-CG2 3.47Å; Y420-V424 HydrophobicContact CE2-CG1 3.74Å; Y420-V424 PolarHBondContact O-N 2.89Å; Y420-V424 VanDerWaalsContact O-N 3.08Å; S421-V424 PolarHBondContact O-N 3.3Å; V424-S426 PolarHBondContact O-N 3.07Å
425	F	84.8	Confident	89.5	Confident	56 Å²	56	38.9 Å²	38.9	25%	0.246	22%	0.224	C	C	.	.			trans	-61.7	124.7	-177.2	178.1	-98.8	0	0	0	111.4	T170 Q172 S421 P427 K451	T170-F425 HydrophobicContact CG2-CB 3.88Å; T170-F425 HydrophobicContact CG2-CD1 4.2Å; T170-F425 HydrophobicContact CG2-CD2 3.8Å; T170-F425 HydrophobicContact CG2-CE2 4.39Å; T170-F425 HydrophobicContact CG2-CG 3.69Å; Q172-F425 HydrophobicContact CG-CE2 4.34Å; Q172-F425 HydrophobicContact CG-CZ 4.06Å; S421-F425 WeakPolarHBondContact O-CA 3.3Å; S421-F425 WeakPolarHBondContact O-CB 3.19Å; S421-F425 PolarHBondContact O-N 3.47Å; F425-P427 HydrophobicContact CE1-CB 4.08Å; F425-P427 HydrophobicContact CZ-CB 4.47Å; F425-K451 HydrophobicContact CE2-CD 4.29Å; F425-K451 VanDerWaalsContact CE2-NZ 3.35Å
426	S	82.1	Confident	89.6	Confident	55 Å²	55	42.7 Å²	42.7	39%	0.385	24%	0.241	S	C	.	.			trans	-111.5	129.2	165.8	176	0	0	0	0	110	V424 E428 K451	V424-S426 PolarHBondContact O-N 3.07Å; S426-E428 PolarHBondContact OG-N 3.13Å; S426-E428 PolarHBondContact OG-O 3.17Å; S426-K451 PolarHBondContact O-NZ 2.99Å
427	P	78.6	Confident	89.5	Confident	85 Å²	85	43.1 Å²	43.1	55%	0.552	24%	0.244	S	C	*	.	S	Bend	trans	-72.4	-22.5	171.9	29.9	-32.8	0	0	0	112	F425 P448	F425-P427 HydrophobicContact CE1-CB 4.08Å; F425-P427 HydrophobicContact CZ-CB 4.47Å; P427-P448 WeakPolarHBondContact O-CB 3.34Å
428	E	83.6	Confident	89.3	Confident	158 Å²	158	46.4 Å²	46.4	74%	0.738	27%	0.266	S	S	*	.			trans	-98.4	157.6	-179.4	-63	-179	-171.6	0	0	111.4	S426	S426-E428 PolarHBondContact OG-N 3.13Å; S426-E428 PolarHBondContact OG-O 3.17Å
429	G	85.6	Confident	89	Confident	24 Å²	24	49.2 Å²	49.2	25%	0.247	29%	0.285	C	S	.	.			trans	120	139.4	178.7	0	0	0	0	0	112.1	P448 T473	G429-P448 WeakPolarHBondContact O-CD 3.39Å; G429-T473 WeakPolarHBondContact CA-OG1 3.45Å
430	S	92.3	Very high	88.9	Confident	65 Å²	65	47.1 Å²	47.1	46%	0.455	28%	0.282	S	S	.	.			trans	-132.8	147.2	173.1	57.6	0	0	0	0	109.2	V446 G472 T473 G474	S430-V446 CarbonylContact C-O 3.51Å; S430-V446 WeakPolarHBondContact CA-O 3.26Å; S430-V446 WeakPolarHBondContact CB-O 3.41Å; S430-G472 VanDerWaalsContact O-CA 3.31Å; S430-G472 WeakPolarHBondContact O-CA 3.41Å; S430-T473 PolarHBondContact O-N 2.8Å; S430-G474 PolarHBondContact O-N 3.2Å
431	S	94.8	Very high	89	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141	175.9	-71.9	0	0	0	0	110.8	P99 V446 K471 T473 G474	P99-S431 WeakPolarHBondContact CG-OG 3.46Å; S431-V446 PolarHBondContact N-O 2.58Å; S431-V446 PolarHBondContact O-N 3.23Å; S431-K471 CarbonylContact C-O 3.58Å; S431-K471 WeakPolarHBondContact CA-O 3.38Å; S431-K471 WeakPolarHBondContact CB-O 3.32Å; S431-T473 PolarHBondContact OG-N 2.93Å; S431-G474 WeakPolarHBondContact CB-O 3.3Å; S431-G474 WeakPolarHBondContact OG-CA 3.32Å; S431-G474 PolarHBondContact OG-N 3.3Å; S431-G474 PolarHBondContact OG-O 2.78Å
432	T	96	Very high	89.2	Confident	53 Å²	53	50.5 Å²	50.5	33%	0.325	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.7	170.8	-61.2	0	0	0	0	108.3	T443 D445 V470 K471	T432-T443 HydrophobicContact CG2-CG2 3.53Å; T432-D445 WeakPolarHBondContact CB-OD1 3.19Å; T432-D445 WeakPolarHBondContact CG2-OD1 3.42Å; T432-D445 PolarHBondContact OG1-OD1 3.24Å; T432-V470 WeakPolarHBondContact O-CA 3.45Å; T432-K471 PolarHBondContact N-O 2.95Å; T432-K471 PolarHBondContact O-N 2.9Å
433	V	96.3	Very high	89.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.2	178.1	-178.6	0	0	0	0	108.6	V127 V435 T443 F444 L468 E469 V470 V476 V478	V127-V433 HydrophobicContact CG1-CB 4.26Å; V127-V433 HydrophobicContact CG1-CG2 3.79Å; V127-V433 HydrophobicContact CG2-CB 4.44Å; V127-V433 HydrophobicContact CG2-CG1 4.09Å; V433-V435 HydrophobicContact CG1-CG2 4.14Å; V433-T443 CarbonylContact O-C 3.47Å; V433-T443 WeakPolarHBondContact O-CA 3.46Å; V433-F444 HydrophobicContact CB-CB 4.3Å; V433-F444 PolarHBondContact N-O 3.03Å; V433-F444 PolarHBondContact O-N 3.27Å; V433-L468 HydrophobicContact CG1-CD1 3.41Å; V433-L468 VanDerWaalsContact CG1-CD1 3.41Å; V433-E469 WeakPolarHBondContact CA-O 3.32Å; V433-V470 HydrophobicContact CG1-CG2 4.34Å; V433-V470 HydrophobicContact CG2-CG1 4.23Å; V433-V470 HydrophobicContact CG2-CG2 4.16Å; V433-V476 HydrophobicContact CG2-CB 4.11Å; V433-V476 HydrophobicContact CG2-CG1 3.99Å; V433-V476 HydrophobicContact CG2-CG2 3.85Å; V433-V478 HydrophobicContact CG1-CG2 4.05Å; V433-V478 HydrophobicContact CG2-CG2 4.5Å
434	T	96.1	Very high	90	Very high	34 Å²	34	49.5 Å²	49.5	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.8	173.2	-56.7	0	0	0	0	108.9	P441 L442 E469	T434-P441 HydrophobicContact CG2-CB 4.47Å; T434-L442 CarbonylContact C-O 3.59Å; T434-L442 WeakPolarHBondContact CA-O 3.49Å; T434-E469 PolarHBondContact N-O 3.35Å; T434-E469 PolarHBondContact O-N 2.92Å
435	V	94.4	Very high	90.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.2	174.1	-176.2	0	0	0	0	108.2	V125 V433 S437 L442 Y466 S467 L468 I480	V125-V435 HydrophobicContact CG1-CB 4.35Å; V125-V435 HydrophobicContact CG1-CG1 4.35Å; V125-V435 HydrophobicContact CG1-CG2 3.86Å; V125-V435 HydrophobicContact CG2-CG1 4.44Å; V433-V435 HydrophobicContact CG1-CG2 4.14Å; V435-S437 PolarHBondContact O-N 3.14Å; V435-L442 HydrophobicContact CB-CB 4.34Å; V435-L442 PolarHBondContact N-O 2.84Å; V435-L442 PolarHBondContact O-N 2.74Å; V435-Y466 HydrophobicContact CG1-CD1 4.08Å; V435-S467 CarbonylContact C-O 3.59Å; V435-S467 WeakPolarHBondContact CA-O 3.23Å; V435-L468 HydrophobicContact CG2-CD1 3.81Å; V435-I480 HydrophobicContact CG1-CD1 4.43Å
436	Q	93.8	Very high	90.9	Very high	98 Å²	98	48.1 Å²	48.1	46%	0.458	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	110	171.7	-156.8	71.7	1.8	0	0	108.3	Y466 S467	Q436-Y466 WeakPolarHBondContact O-CA 3.32Å; Q436-S467 PolarHBondContact N-O 2.72Å; Q436-S467 PolarHBondContact O-N 2.65Å; Q436-S467 VanDerWaalsContact O-N 3.09Å
437	S	91.3	Very high	91.4	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	165.3	175.1	72.7	0	0	0	0	111	V435 S439 G440 Y466	V435-S437 PolarHBondContact O-N 3.14Å; S437-S439 PolarHBondContact O-N 3.3Å; S437-S439 PolarHBondContact OG-OG 3.33Å; S437-G440 PolarHBondContact N-O 2.85Å; S437-G440 VanDerWaalsContact N-O 3.08Å; S437-G440 PolarHBondContact O-N 2.85Å; S437-G440 PolarHBondContact OG-N 3.18Å; S437-G440 PolarHBondContact OG-O 2.6Å; S437-Y466 VanDerWaalsContact CB-CE1 3.43Å
438	P	86.3	Confident	91.8	Very high	69 Å²	69	46.9 Å²	46.9	45%	0.448	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.6	175.7	-25.8	35.8	0	0	0	113.9	G440 E462	P438-G440 VanDerWaalsContact C-N 3.28Å; P438-G440 PolarHBondContact O-N 2.96Å; P438-E462 HydrophobicContact CB-CB 4.38Å; P438-E462 HydrophobicContact CG-CB 4.24Å
439	S	84.4	Confident	91.9	Very high	68 Å²	68	47 Å²	47	48%	0.476	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.1	175.1	28.9	0	0	0	0	114.7	S437 E462	S437-S439 PolarHBondContact O-N 3.3Å; S437-S439 PolarHBondContact OG-OG 3.33Å; S439-E462 WeakPolarHBondContact CA-OE1 3.34Å; S439-E462 VanDerWaalsContact CB-CD 3.46Å; S439-E462 WeakPolarHBondContact CB-OE1 3.13Å; S439-E462 VanDerWaalsContact CB-OE2 3.23Å; S439-E462 WeakPolarHBondContact CB-OE2 3.46Å; S439-E462 PolarHBondContact N-OE1 2.95Å; S439-E462 PolarHBondContact N-OE2 2.65Å; S439-E462 PolarHBondContact OG-OE1 3.25Å; S439-E462 PolarHBondContact OG-OE2 3.28Å
440	G	87.8	Confident	92	Very high	21 Å²	21	47.4 Å²	47.4	22%	0.216	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.1	-179	-179.4	0	0	0	0	0	114.2	S437 P438	S437-G440 PolarHBondContact N-O 2.85Å; S437-G440 VanDerWaalsContact N-O 3.08Å; S437-G440 PolarHBondContact O-N 2.85Å; S437-G440 PolarHBondContact OG-N 3.18Å; S437-G440 PolarHBondContact OG-O 2.6Å; P438-G440 VanDerWaalsContact C-N 3.28Å; P438-G440 PolarHBondContact O-N 2.96Å
441	P	92.1	Very high	91.6	Very high	84 Å²	84	46 Å²	46	55%	0.545	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.9	-179.2	27.7	-32.6	0	0	0	112.1	T434	T434-P441 HydrophobicContact CG2-CB 4.47Å
442	L	93.2	Very high	91.1	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.12	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122	167	-59.5	179	0	0	0	109.7	V125 T434 V435 F444 K457 L459	V125-L442 HydrophobicContact CB-CD1 4.23Å; V125-L442 HydrophobicContact CG2-CD1 4.07Å; T434-L442 CarbonylContact C-O 3.59Å; T434-L442 WeakPolarHBondContact CA-O 3.49Å; V435-L442 HydrophobicContact CB-CB 4.34Å; V435-L442 PolarHBondContact N-O 2.84Å; V435-L442 PolarHBondContact O-N 2.74Å; L442-F444 HydrophobicContact CB-CE2 3.84Å; L442-F444 HydrophobicContact CB-CZ 4.44Å; L442-K457 HydrophobicContact CD1-CB 4.29Å; L442-K457 HydrophobicContact CD1-CD 4.47Å; L442-K457 HydrophobicContact CD2-CD 3.88Å; L442-L459 HydrophobicContact CD1-CD1 3.93Å; L442-L459 HydrophobicContact CD1-CD2 4.07Å; L442-L459 HydrophobicContact CD1-CG 4.18Å; L442-L459 HydrophobicContact CD2-CD2 4.32Å
443	T	95.3	Very high	90.7	Very high	67 Å²	67	51.1 Å²	51.1	41%	0.411	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.6	174.8	-49.5	0	0	0	0	111.2	T432 V433 K457	T432-T443 HydrophobicContact CG2-CG2 3.53Å; V433-T443 CarbonylContact O-C 3.47Å; V433-T443 WeakPolarHBondContact O-CA 3.46Å; T443-K457 PolarHBondContact O-NZ 2.96Å
444	F	96.1	Very high	90.2	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.4	174.2	-55.8	-96.6	0	0	0	109.2	V125 V127 V433 L442 Q455 K457	V125-F444 HydrophobicContact CB-CZ 4.44Å; V125-F444 HydrophobicContact CG1-CE2 3.92Å; V125-F444 HydrophobicContact CG1-CZ 4.09Å; V127-F444 HydrophobicContact CB-CB 4.11Å; V127-F444 HydrophobicContact CB-CD1 4.26Å; V127-F444 HydrophobicContact CB-CG 4.07Å; V127-F444 HydrophobicContact CG1-CB 4.2Å; V127-F444 HydrophobicContact CG2-CB 4.06Å; V127-F444 HydrophobicContact CG2-CD1 4.13Å; V127-F444 HydrophobicContact CG2-CD2 3.64Å; V127-F444 HydrophobicContact CG2-CE1 4.47Å; V127-F444 HydrophobicContact CG2-CE2 4.04Å; V127-F444 HydrophobicContact CG2-CG 3.69Å; V127-F444 HydrophobicContact CG2-CZ 4.42Å; V433-F444 HydrophobicContact CB-CB 4.3Å; V433-F444 PolarHBondContact N-O 3.03Å; V433-F444 PolarHBondContact O-N 3.27Å; L442-F444 HydrophobicContact CB-CE2 3.84Å; L442-F444 HydrophobicContact CB-CZ 4.44Å; F444-Q455 HydrophobicContact CD1-CB 3.84Å; F444-Q455 HydrophobicContact CE1-CB 4.28Å; F444-K457 HydrophobicContact CE1-CB 4.4Å; F444-K457 HydrophobicContact CE1-CD 3.89Å; F444-K457 HydrophobicContact CE1-CG 3.8Å; F444-K457 HydrophobicContact CZ-CB 4.02Å; F444-K457 HydrophobicContact CZ-CD 3.71Å; F444-K457 HydrophobicContact CZ-CG 3.8Å
445	D	95.3	Very high	90	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.444	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.6	177	-67.5	-52.9	0	0	0	109.9	T432 N450 Q455	T432-D445 WeakPolarHBondContact CB-OD1 3.19Å; T432-D445 WeakPolarHBondContact CG2-OD1 3.42Å; T432-D445 PolarHBondContact OG1-OD1 3.24Å; D445-N450 PolarHBondContact O-ND2 3.14Å; D445-Q455 PolarHBondContact O-NE2 3.02Å
446	V	93.4	Very high	89.9	Confident	6 Å²	6	56 Å²	56	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.6	175.5	-179.1	0	0	0	0	108.1	V127 G129 S430 S431 N450 V476	V127-V446 HydrophobicContact CG1-CG2 3.75Å; G129-V446 VanDerWaalsContact CA-CG1 3.4Å; S430-V446 CarbonylContact C-O 3.51Å; S430-V446 WeakPolarHBondContact CA-O 3.26Å; S430-V446 WeakPolarHBondContact CB-O 3.41Å; S431-V446 PolarHBondContact N-O 2.58Å; S431-V446 PolarHBondContact O-N 3.23Å; V446-N450 WeakPolarHBondContact CA-OD1 3.4Å; V446-V476 HydrophobicContact CB-CG1 4.01Å; V446-V476 HydrophobicContact CG1-CG1 4.27Å; V446-V476 HydrophobicContact CG2-CG1 3.81Å
447	T	91.9	Very high	89.7	Confident	46 Å²	46	55.3 Å²	55.3	28%	0.282	31%	0.311	S	S	.	.			trans	-122	166.6	179.3	69.6	0	0	0	0	109.7	D449 N450 K451	T447-D449 PolarHBondContact O-N 2.93Å; T447-N450 PolarHBondContact N-OD1 3.36Å; T447-N450 PolarHBondContact O-N 2.03Å; T447-N450 PolarHBondContact O-OD1 3.48Å; T447-N450 PolarHBondContact OG1-OD1 3.21Å; T447-K451 PolarHBondContact O-N 3.33Å; T447-K451 VanDerWaalsContact O-N 3.1Å
448	P	88.1	Confident	89.5	Confident	67 Å²	67	60.4 Å²	60.4	44%	0.435	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-52.9	-35.9	174.2	-30.7	38.9	0	0	0	113.7	P427 G429	P427-P448 WeakPolarHBondContact O-CB 3.34Å; G429-P448 WeakPolarHBondContact O-CD 3.39Å
449	D	86.5	Confident	89.4	Confident	161 Å²	161	58 Å²	58	86%	0.861	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-74.4	-25.9	-177.1	-60	-43.1	0	0	0	113.7	T447	T447-D449 PolarHBondContact O-N 2.93Å
450	N	87.3	Confident	88.8	Confident	33 Å²	33	61.3 Å²	61.3	18%	0.176	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-116.9	14.9	-175.3	78.7	9.1	0	0	0	113.3	D445 V446 T447 L452 L453 Q455	D445-N450 PolarHBondContact O-ND2 3.14Å; V446-N450 WeakPolarHBondContact CA-OD1 3.4Å; T447-N450 PolarHBondContact N-OD1 3.36Å; T447-N450 PolarHBondContact O-N 2.03Å; T447-N450 PolarHBondContact O-OD1 3.48Å; T447-N450 PolarHBondContact OG1-OD1 3.21Å; N450-L452 VanDerWaalsContact C-N 3.26Å; N450-L452 PolarHBondContact O-N 2.95Å; N450-L453 HydrophobicContact CB-CB 3.99Å; N450-L453 HydrophobicContact CB-CD2 4.15Å; N450-L453 VanDerWaalsContact O-CB 3.23Å; N450-L453 WeakPolarHBondContact O-CB 3.01Å; N450-L453 PolarHBondContact O-N 2.8Å; N450-Q455 PolarHBondContact ND2-NE2 2.88Å
451	K	84.4	Confident	87.6	Confident	34 Å²	34	61.8 Å²	61.8	15%	0.148	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-38	-175.9	-164.1	177.4	-175.7	176.9	0	113.9	G129 D130 F425 S426 T447	G129-K451 WeakPolarHBondContact CA-O 3.05Å; G129-K451 PolarHBondContact N-O 3.34Å; G129-K451 WeakPolarHBondContact O-CE 3.48Å; G129-K451 WeakPolarHBondContact O-CG 3.27Å; D130-K451 HydrophobicContact CB-CG 4.49Å; F425-K451 HydrophobicContact CE2-CD 4.29Å; F425-K451 VanDerWaalsContact CE2-NZ 3.35Å; S426-K451 PolarHBondContact O-NZ 2.99Å; T447-K451 PolarHBondContact O-N 3.33Å; T447-K451 VanDerWaalsContact O-N 3.1Å
452	L	83.8	Confident	86.5	Confident	61 Å²	61	60.1 Å²	60.1	32%	0.319	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.7	176.6	-60.2	-174	0	0	0	113.8	D130 L136 L167 Q172 N450 Y454	D130-L452 HydrophobicContact CB-CD2 3.75Å; L136-L452 HydrophobicContact CD1-CD1 4.48Å; L136-L452 HydrophobicContact CD1-CD2 3.72Å; L167-L452 HydrophobicContact CD2-CD1 4.09Å; Q172-L452 HydrophobicContact CB-CD1 3.98Å; N450-L452 VanDerWaalsContact C-N 3.26Å; N450-L452 PolarHBondContact O-N 2.95Å; L452-Y454 PolarHBondContact O-N 3.03Å
453	L	86.4	Confident	86	Confident	103 Å²	103	61.4 Å²	61.4	54%	0.539	33%	0.331	S	S	.	.			trans	-74.8	117.6	178.8	-178.7	66.4	0	0	0	109.1	N450 Q455	N450-L453 HydrophobicContact CB-CB 3.99Å; N450-L453 HydrophobicContact CB-CD2 4.15Å; N450-L453 VanDerWaalsContact O-CB 3.23Å; N450-L453 WeakPolarHBondContact O-CB 3.01Å; N450-L453 PolarHBondContact O-N 2.8Å; L453-Q455 HydrophobicContact CD2-CG 4.42Å; L453-Q455 HydrophobicContact CG-CG 4.38Å; L453-Q455 PolarHBondContact O-N 2.66Å
454	Y	87.4	Confident	85.6	Confident	28 Å²	28	59.2 Å²	59.2	11%	0.11	32%	0.321	C	S	.	.			trans	-73.2	113.6	172.3	-176	-86.6	0	0	0	110.5	S126 L128 R134 K137 L452 E456	S126-Y454 WeakPolarHBondContact CB-OH 3.37Å; L128-Y454 HydrophobicContact CD1-CD2 3.83Å; L128-Y454 HydrophobicContact CD1-CE2 4.36Å; L128-Y454 VanDerWaalsContact CD2-CA 3.48Å; L128-Y454 HydrophobicContact CD2-CD2 4.15Å; L128-Y454 HydrophobicContact CD2-CG 4.46Å; L128-Y454 HydrophobicContact CG-CD2 4.07Å; R134-Y454 HydrophobicContact CG-CE2 4.49Å; K137-Y454 HydrophobicContact CB-CD2 4.08Å; K137-Y454 HydrophobicContact CB-CG 4.2Å; K137-Y454 VanDerWaalsContact CD-CB 3.44Å; K137-Y454 HydrophobicContact CD-CD1 3.23Å; K137-Y454 HydrophobicContact CD-CD2 3.46Å; K137-Y454 VanDerWaalsContact CD-CD2 3.46Å; K137-Y454 HydrophobicContact CD-CE1 3.67Å; K137-Y454 HydrophobicContact CD-CE2 3.93Å; K137-Y454 HydrophobicContact CD-CG 3.09Å; K137-Y454 HydrophobicContact CG-CD2 4.37Å; K137-Y454 HydrophobicContact CG-CG 4.2Å; L452-Y454 PolarHBondContact O-N 3.03Å; Y454-E456 HydrophobicContact CD1-CB 3.93Å; Y454-E456 HydrophobicContact CE1-CB 3.37Å; Y454-E456 VanDerWaalsContact CE1-CD 3.48Å; Y454-E456 HydrophobicContact CE1-CG 3.98Å; Y454-E456 WeakPolarHBondContact CE1-OE1 3.24Å; Y454-E456 PolarHBondContact OH-OE1 3.03Å
455	Q	91.5	Very high	85.4	Confident	36 Å²	36	66 Å²	66	17%	0.168	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.6	176.4	-54.2	-179.3	43.8	0	0	108.8	S126 V127 F444 D445 N450 L453	S126-Q455 CarbonylContact C-O 3.54Å; S126-Q455 WeakPolarHBondContact CA-O 3.28Å; S126-Q455 WeakPolarHBondContact CB-O 3.15Å; V127-Q455 PolarHBondContact N-O 2.8Å; V127-Q455 PolarHBondContact O-N 2.9Å; V127-Q455 VanDerWaalsContact O-N 3.14Å; F444-Q455 HydrophobicContact CD1-CB 3.84Å; F444-Q455 HydrophobicContact CE1-CB 4.28Å; D445-Q455 PolarHBondContact O-NE2 3.02Å; N450-Q455 PolarHBondContact ND2-NE2 2.88Å; L453-Q455 HydrophobicContact CD2-CG 4.42Å; L453-Q455 HydrophobicContact CG-CG 4.38Å; L453-Q455 PolarHBondContact O-N 2.66Å
456	E	91.3	Very high	85.2	Confident	73 Å²	73	62.2 Å²	62.2	34%	0.341	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.1	-176.8	176.7	174.4	-104.3	0	0	111.2	T124 V125 K137 Y400 Y454	T124-E456 HydrophobicContact CG2-CG 3.27Å; T124-E456 WeakPolarHBondContact CG2-OE1 3.16Å; V125-E456 CarbonylContact O-C 3.53Å; V125-E456 WeakPolarHBondContact O-CA 3.4Å; K137-E456 IonicContact NZ-OE2 2.66Å; Y400-E456 PolarHBondContact OH-OE1 3.48Å; Y454-E456 HydrophobicContact CD1-CB 3.93Å; Y454-E456 HydrophobicContact CE1-CB 3.37Å; Y454-E456 VanDerWaalsContact CE1-CD 3.48Å; Y454-E456 HydrophobicContact CE1-CG 3.98Å; Y454-E456 WeakPolarHBondContact CE1-OE1 3.24Å; Y454-E456 PolarHBondContact OH-OE1 3.03Å
457	K	91.1	Very high	85.3	Confident	84 Å²	84	63.7 Å²	63.7	37%	0.365	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.1	171.8	-68.8	-178.8	-177.7	167.1	0	108.9	V125 L442 T443 F444	V125-K457 PolarHBondContact N-O 3.12Å; V125-K457 PolarHBondContact O-N 3.1Å; L442-K457 HydrophobicContact CD1-CB 4.29Å; L442-K457 HydrophobicContact CD1-CD 4.47Å; L442-K457 HydrophobicContact CD2-CD 3.88Å; T443-K457 PolarHBondContact O-NZ 2.96Å; F444-K457 HydrophobicContact CE1-CB 4.4Å; F444-K457 HydrophobicContact CE1-CD 3.89Å; F444-K457 HydrophobicContact CE1-CG 3.8Å; F444-K457 HydrophobicContact CZ-CB 4.02Å; F444-K457 HydrophobicContact CZ-CD 3.71Å; F444-K457 HydrophobicContact CZ-CG 3.8Å
458	M	86.8	Confident	85.4	Confident	115 Å²	115	61.7 Å²	61.7	57%	0.567	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.2	176	-170.8	175.9	74.5	0	0	109.5	V123	V123-M458 CarbonylContact O-C 3.58Å; V123-M458 WeakPolarHBondContact O-CA 3.44Å
459	L	84.4	Confident	85.7	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.099	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.4	174.8	-59.7	176.9	0	0	0	108.7	V123 V125 L442 G461 Y466	V123-L459 HydrophobicContact CB-CB 4.29Å; V123-L459 PolarHBondContact N-O 3.46Å; V123-L459 PolarHBondContact O-N 2.89Å; V125-L459 HydrophobicContact CG2-CD1 4.33Å; L442-L459 HydrophobicContact CD1-CD1 3.93Å; L442-L459 HydrophobicContact CD1-CD2 4.07Å; L442-L459 HydrophobicContact CD1-CG 4.18Å; L442-L459 HydrophobicContact CD2-CD2 4.32Å; L459-G461 PolarHBondContact O-N 2.76Å; L459-Y466 HydrophobicContact CD1-CE1 3.93Å
460	Q	71.6	Confident	86.2	Confident	137 Å²	137	53.6 Å²	53.6	64%	0.64	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	107.6	-177.8	-71.4	-70.2	-8.6	0	0	110.7	E462	Q460-E462 VanDerWaalsContact C-N 3.32Å; Q460-E462 WeakPolarHBondContact O-CG 2.85Å; Q460-E462 PolarHBondContact O-N 3.41Å
461	G	63	Low	86.5	Confident	32 Å²	32	56.7 Å²	56.7	33%	0.33	29%	0.291	S	S	.	.	S	Bend	trans	60	19.1	160.3	0	0	0	0	0	119.4	A121 L459 A463	A121-G461 WeakPolarHBondContact O-CA 3.28Å; A121-G461 PolarHBondContact O-N 3.2Å; L459-G461 PolarHBondContact O-N 2.76Å; G461-A463 PolarHBondContact O-N 3.2Å
462	E	68.4	Low	86.9	Confident	49 Å²	49	56.3 Å²	56.3	23%	0.229	30%	0.297	C	S	.	.			trans	-86	104.4	-173.8	-59.5	-168.9	156.6	0	0	113	P438 S439 Q460 Y466	P438-E462 HydrophobicContact CB-CB 4.38Å; P438-E462 HydrophobicContact CG-CB 4.24Å; S439-E462 WeakPolarHBondContact CA-OE1 3.34Å; S439-E462 VanDerWaalsContact CB-CD 3.46Å; S439-E462 WeakPolarHBondContact CB-OE1 3.13Å; S439-E462 VanDerWaalsContact CB-OE2 3.23Å; S439-E462 WeakPolarHBondContact CB-OE2 3.46Å; S439-E462 PolarHBondContact N-OE1 2.95Å; S439-E462 PolarHBondContact N-OE2 2.65Å; S439-E462 PolarHBondContact OG-OE1 3.25Å; S439-E462 PolarHBondContact OG-OE2 3.28Å; Q460-E462 VanDerWaalsContact C-N 3.32Å; Q460-E462 WeakPolarHBondContact O-CG 2.85Å; Q460-E462 PolarHBondContact O-N 3.41Å; E462-Y466 PolarHBondContact O-OH 3.04Å
463	A	81.6	Confident	87.2	Confident	50 Å²	50	57.8 Å²	57.8	41%	0.413	31%	0.309	S	S	.	.			trans	-73.8	147	158.5	0	0	0	0	0	109.7	V110 L112 G461	V110-A463 WeakPolarHBondContact O-CA 3.29Å; V110-A463 WeakPolarHBondContact O-CB 3.15Å; L112-A463 HydrophobicContact CD1-CB 4.12Å; L112-A463 HydrophobicContact CG-CB 4.1Å; G461-A463 PolarHBondContact O-N 3.2Å
464	G	87.3	Confident	87.3	Confident	20 Å²	20	53.4 Å²	53.4	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144	-168.6	177.2	0	0	0	0	0	113.5	E109 V110 Y466	E109-G464 WeakPolarHBondContact CA-O 3.24Å; V110-G464 PolarHBondContact N-O 2.75Å; V110-G464 PolarHBondContact O-N 2.77Å; G464-Y466 WeakPolarHBondContact O-CD2 3.46Å
465	K	91.3	Very high	87.5	Confident	148 Å²	148	54.8 Å²	54.8	64%	0.643	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.6	-178.1	-66	-173.1	177.9	-171.8	0	111.2	T108 E109	T108-K465 WeakPolarHBondContact O-CA 3.48Å; E109-K465 HydrophobicContact CG-CG 4.3Å
466	Y	92.6	Very high	87.5	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	171.9	-70	-99.6	0	0	0	108.4	E107 T108 V110 V123 V435 Q436 S437 L459 E462 G464 I480	E107-Y466 WeakPolarHBondContact CA-O 3.26Å; T108-Y466 PolarHBondContact N-O 2.86Å; T108-Y466 PolarHBondContact O-N 2.91Å; V110-Y466 HydrophobicContact CB-CD2 4.24Å; V110-Y466 HydrophobicContact CB-CE2 3.88Å; V110-Y466 HydrophobicContact CG2-CD2 3.71Å; V110-Y466 HydrophobicContact CG2-CE2 3.62Å; V123-Y466 HydrophobicContact CG1-CE1 4.35Å; V435-Y466 HydrophobicContact CG1-CD1 4.08Å; Q436-Y466 WeakPolarHBondContact O-CA 3.32Å; S437-Y466 VanDerWaalsContact CB-CE1 3.43Å; L459-Y466 HydrophobicContact CD1-CE1 3.93Å; E462-Y466 PolarHBondContact O-OH 3.04Å; G464-Y466 WeakPolarHBondContact O-CD2 3.46Å; Y466-I480 HydrophobicContact CD1-CD1 4.21Å; Y466-I480 HydrophobicContact CG-CD1 4.18Å
467	S	93.9	Very high	87.5	Confident	37 Å²	37	49.7 Å²	49.7	26%	0.259	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.5	173.6	-174.8	0	0	0	0	108.8	V435 Q436	V435-S467 CarbonylContact C-O 3.59Å; V435-S467 WeakPolarHBondContact CA-O 3.23Å; Q436-S467 PolarHBondContact N-O 2.72Å; Q436-S467 PolarHBondContact O-N 2.65Å; Q436-S467 VanDerWaalsContact O-N 3.09Å
468	L	94.4	Very high	87.6	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.8	-178.4	170.5	63.2	0	0	0	108.1	W95 L97 T105 E106 V433 V435 V470 V478	W95-L468 HydrophobicContact CB-CD2 4.32Å; W95-L468 HydrophobicContact CD2-CD2 4.26Å; W95-L468 HydrophobicContact CE3-CD2 4.26Å; W95-L468 HydrophobicContact CG-CD2 4.3Å; L97-L468 HydrophobicContact CD1-CD2 3.48Å; L97-L468 VanDerWaalsContact CD1-CD2 3.48Å; L97-L468 HydrophobicContact CD1-CG 3.97Å; T105-L468 CarbonylContact C-O 3.58Å; T105-L468 WeakPolarHBondContact CA-O 3.25Å; E106-L468 HydrophobicContact CB-CB 4.23Å; E106-L468 HydrophobicContact CB-CD2 4.3Å; E106-L468 PolarHBondContact N-O 3.19Å; E106-L468 PolarHBondContact O-N 3.39Å; V433-L468 HydrophobicContact CG1-CD1 3.41Å; V433-L468 VanDerWaalsContact CG1-CD1 3.41Å; V435-L468 HydrophobicContact CG2-CD1 3.81Å; L468-V470 HydrophobicContact CD1-CG2 4.09Å; L468-V470 HydrophobicContact CG-CG2 4.25Å; L468-V478 HydrophobicContact CD1-CB 4.49Å; L468-V478 HydrophobicContact CD1-CG1 4.06Å; L468-V478 HydrophobicContact CD1-CG2 4.12Å; L468-V478 HydrophobicContact CD2-CB 3.97Å; L468-V478 HydrophobicContact CD2-CG1 4Å; L468-V478 HydrophobicContact CD2-CG2 4.13Å
469	E	95.7	Very high	87.9	Confident	59 Å²	59	40.2 Å²	40.2	28%	0.276	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	174.5	-174.7	-176.6	-164.5	0	0	109.2	T103 L104 T105 V433 T434 K471	T103-E469 HydrophobicContact CG2-CG 3.44Å; T103-E469 VanDerWaalsContact CG2-CG 3.44Å; T103-E469 WeakPolarHBondContact CG2-OE1 3.42Å; L104-E469 WeakPolarHBondContact O-CA 3.49Å; T105-E469 HydrophobicContact CG2-CB 4.37Å; T105-E469 HydrophobicContact CG2-CG 4.14Å; V433-E469 WeakPolarHBondContact CA-O 3.32Å; T434-E469 PolarHBondContact N-O 3.35Å; T434-E469 PolarHBondContact O-N 2.92Å; E469-K471 WeakPolarHBondContact OE1-CE 3.35Å; E469-K471 IonicContact OE1-NZ 2.71Å; E469-K471 PolarHBondContact OE1-NZ 2.99Å; E469-K471 IonicContact OE2-NZ 2.75Å
470	V	95.6	Very high	88.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.6	177.9	-171.5	0	0	0	0	110.1	L97 P99 T103 L104 T432 V433 L468 V476	L97-V470 HydrophobicContact CB-CB 4.46Å; L97-V470 HydrophobicContact CB-CG2 4.12Å; L97-V470 HydrophobicContact CD1-CB 4.34Å; L97-V470 HydrophobicContact CD1-CG2 3.45Å; L97-V470 VanDerWaalsContact CD1-CG2 3.45Å; L97-V470 HydrophobicContact CG-CG2 4.43Å; P99-V470 HydrophobicContact CG-CG1 3.78Å; T103-V470 WeakPolarHBondContact CA-O 3.31Å; L104-V470 PolarHBondContact N-O 3.23Å; L104-V470 PolarHBondContact O-N 2.88Å; T432-V470 WeakPolarHBondContact O-CA 3.45Å; V433-V470 HydrophobicContact CG1-CG2 4.34Å; V433-V470 HydrophobicContact CG2-CG1 4.23Å; V433-V470 HydrophobicContact CG2-CG2 4.16Å; L468-V470 HydrophobicContact CD1-CG2 4.09Å; L468-V470 HydrophobicContact CG-CG2 4.25Å; V470-V476 HydrophobicContact CB-CG2 4.33Å; V470-V476 HydrophobicContact CG1-CG2 3.54Å; V470-V476 HydrophobicContact CG2-CG2 3.84Å
471	K	95	Very high	89.2	Confident	98 Å²	98	32.9 Å²	32.9	43%	0.426	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.8	177.9	-72	177.8	174.1	146.7	0	110.6	T103 S431 T432 E469	T103-K471 HydrophobicContact CG2-CG 3.82Å; T103-K471 WeakPolarHBondContact OG1-CE 3.38Å; T103-K471 WeakPolarHBondContact OG1-CG 3.34Å; S431-K471 CarbonylContact C-O 3.58Å; S431-K471 WeakPolarHBondContact CA-O 3.38Å; S431-K471 WeakPolarHBondContact CB-O 3.32Å; T432-K471 PolarHBondContact N-O 2.95Å; T432-K471 PolarHBondContact O-N 2.9Å; E469-K471 WeakPolarHBondContact OE1-CE 3.35Å; E469-K471 IonicContact OE1-NZ 2.71Å; E469-K471 PolarHBondContact OE1-NZ 2.99Å; E469-K471 IonicContact OE2-NZ 2.75Å
472	G	92.6	Very high	90.4	Very high	26 Å²	26	31.9 Å²	31.9	27%	0.268	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-151.9	175.1	0	0	0	0	0	112.9	P99 G101 S430	P99-G472 CarbonylContact C-O 3.48Å; P99-G472 WeakPolarHBondContact CB-O 3.12Å; P99-G472 VanDerWaalsContact O-O 3.06Å; G101-G472 WeakPolarHBondContact CA-O 3.27Å; G101-G472 PolarHBondContact N-O 2.91Å; G101-G472 VanDerWaalsContact N-O 3.08Å; S430-G472 VanDerWaalsContact O-CA 3.31Å; S430-G472 WeakPolarHBondContact O-CA 3.41Å
473	T	90.5	Very high	91.4	Very high	92 Å²	92	30 Å²	30	56%	0.564	18%	0.177	S	C	*	.	S	Bend	trans	-125.4	-11.1	-178.2	56	0	0	0	0	113.6	P99 G429 S430 S431	P99-T473 CarbonylContact O-C 3.3Å; P99-T473 WeakPolarHBondContact O-CA 3.31Å; G429-T473 WeakPolarHBondContact CA-OG1 3.45Å; S430-T473 PolarHBondContact O-N 2.8Å; S431-T473 PolarHBondContact OG-N 2.93Å
474	G	88.4	Confident	91.8	Very high	11 Å²	11	27.8 Å²	27.8	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	-89.6	139.2	-179.6	0	0	0	0	0	112.7	P99 S430 S431	P99-G474 WeakPolarHBondContact CD-O 3.35Å; S430-G474 PolarHBondContact O-N 3.2Å; S431-G474 WeakPolarHBondContact CB-O 3.3Å; S431-G474 WeakPolarHBondContact OG-CA 3.32Å; S431-G474 PolarHBondContact OG-N 3.3Å; S431-G474 PolarHBondContact OG-O 2.78Å
475	C	89.6	Confident	91.9	Very high	57 Å²	57	27.6 Å²	27.6	39%	0.385	15%	0.152	S	C	.	.			trans	-66.7	140	168.8	-66.4	0	0	0	0	111.5	L97 C98 G129	L97-C475 CarbonylContact O-C 3.47Å; L97-C475 WeakPolarHBondContact O-CA 3.48Å; C98-C475 HydrophobicContact CB-CB 4.09Å; C98-C475 WeakPolarHBondContact CB-SG 3.36Å; C98-C475 WeakPolarHBondContact SG-CB 3.38Å; C98-C475 CovalentContact SG-SG 2.03Å; C98-C475 PolarHBondContact SG-SG 3Å; G129-C475 CarbonylContact C-O 3.45Å; G129-C475 WeakPolarHBondContact CA-O 3.45Å
476	V	92	Very high	91.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.8	177	-60	0	0	0	0	110.9	L96 L97 L128 V433 V446 V470 V478	L96-V476 WeakPolarHBondContact CA-O 3.34Å; L97-V476 HydrophobicContact CB-CG2 4.1Å; L97-V476 PolarHBondContact N-O 2.03Å; L97-V476 PolarHBondContact O-N 2.9Å; L128-V476 CarbonylContact O-C 3.55Å; L128-V476 VanDerWaalsContact O-CA 3.27Å; L128-V476 WeakPolarHBondContact O-CA 3.5Å; V433-V476 HydrophobicContact CG2-CB 4.11Å; V433-V476 HydrophobicContact CG2-CG1 3.99Å; V433-V476 HydrophobicContact CG2-CG2 3.85Å; V446-V476 HydrophobicContact CB-CG1 4.01Å; V446-V476 HydrophobicContact CG1-CG1 4.27Å; V446-V476 HydrophobicContact CG2-CG1 3.81Å; V470-V476 HydrophobicContact CB-CG2 4.33Å; V470-V476 HydrophobicContact CG1-CG2 3.54Å; V470-V476 HydrophobicContact CG2-CG2 3.84Å; V476-V478 HydrophobicContact CG2-CG2 4.14Å
477	S	91.8	Very high	91.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.6	170	177.5	0	0	0	0	109.1	W95 L128	W95-S477 WeakPolarHBondContact O-CA 3.36Å; L128-S477 PolarHBondContact N-O 3.32Å; L128-S477 PolarHBondContact O-N 2.61Å
478	V	93.5	Very high	90.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.5	-178.7	-175.3	0	0	0	0	108.9	N94 W95 S126 V127 V433 L468 V476	N94-V478 CarbonylContact C-O 3.57Å; N94-V478 WeakPolarHBondContact CA-O 3.46Å; W95-V478 PolarHBondContact N-O 3.43Å; W95-V478 PolarHBondContact O-N 2.87Å; S126-V478 WeakPolarHBondContact O-CA 3.27Å; V127-V478 HydrophobicContact CG1-CG2 4.47Å; V127-V478 HydrophobicContact CG2-CG1 4.3Å; V127-V478 HydrophobicContact CG2-CG2 4.27Å; V433-V478 HydrophobicContact CG1-CG2 4.05Å; V433-V478 HydrophobicContact CG2-CG2 4.5Å; L468-V478 HydrophobicContact CD1-CB 4.49Å; L468-V478 HydrophobicContact CD1-CG1 4.06Å; L468-V478 HydrophobicContact CD1-CG2 4.12Å; L468-V478 HydrophobicContact CD2-CB 3.97Å; L468-V478 HydrophobicContact CD2-CG1 4Å; L468-V478 HydrophobicContact CD2-CG2 4.13Å; V476-V478 HydrophobicContact CG2-CG2 4.14Å
479	Q	92.8	Very high	89.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.4	172.9	175.4	175.7	88.5	0	0	109.8	T92 Q93 N94 S126 N399 Y400	T92-Q479 HydrophobicContact CG2-CG 4.35Å; Q93-Q479 CarbonylContact O-C 3.58Å; Q93-Q479 VanDerWaalsContact O-CA 3.27Å; Q93-Q479 WeakPolarHBondContact O-CA 3.02Å; N94-Q479 WeakPolarHBondContact OD1-CG 3.49Å; N94-Q479 PolarHBondContact OD1-NE2 3.1Å; S126-Q479 PolarHBondContact N-O 2.82Å; S126-Q479 PolarHBondContact O-N 3.18Å; S126-Q479 PolarHBondContact OG-O 3.5Å; N399-Q479 PolarHBondContact O-NE2 2.93Å; Y400-Q479 PolarHBondContact O-OE1 2.95Å
480	I	92.3	Very high	88.3	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.3	167	-59.7	176.9	0	0	0	106.3	T92 Q93 W95 T108 V110 V123 T124 V125 V435 Y466	T92-I480 WeakPolarHBondContact CA-O 3.15Å; Q93-I480 PolarHBondContact N-O 3.37Å; Q93-I480 PolarHBondContact O-N 3.24Å; W95-I480 HydrophobicContact CH2-CD1 4.19Å; W95-I480 HydrophobicContact CZ3-CB 4.21Å; W95-I480 HydrophobicContact CZ3-CD1 3.97Å; W95-I480 HydrophobicContact CZ3-CG1 3.93Å; T108-I480 HydrophobicContact CG2-CD1 4.11Å; V110-I480 HydrophobicContact CG2-CG2 4.29Å; V123-I480 HydrophobicContact CG1-CG2 3.92Å; T124-I480 WeakPolarHBondContact O-CA 3.44Å; V125-I480 HydrophobicContact CG2-CG1 4.33Å; V435-I480 HydrophobicContact CG1-CD1 4.43Å; Y466-I480 HydrophobicContact CD1-CD1 4.21Å; Y466-I480 HydrophobicContact CG-CD1 4.18Å
481	S	90.3	Very high	86.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.3	173.7	93.1	0	0	0	0	109.7	K91 V123 T124 Y400 Q483	K91-S481 CarbonylContact O-C 3.59Å; K91-S481 VanDerWaalsContact O-CA 3.32Å; K91-S481 WeakPolarHBondContact O-CA 3.33Å; V123-S481 CarbonylContact C-O 3.6Å; V123-S481 WeakPolarHBondContact CA-O 3.03Å; T124-S481 PolarHBondContact N-O 3.24Å; T124-S481 PolarHBondContact O-N 3.37Å; Y400-S481 WeakPolarHBondContact CE2-OG 3.41Å; S481-Q483 PolarHBondContact OG-NE2 2.75Å
482	H	89.1	Confident	84.9	Confident	12 Å²	12	34 Å²	34	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.2	170.7	53.6	-95.5	0	0	0	109	K91 V110 R122 V123 F484	K91-H482 VanDerWaalsContact CB-CE1 3.45Å; K91-H482 WeakPolarHBondContact CB-CE1 3.33Å; K91-H482 WeakPolarHBondContact CB-NE2 3.23Å; K91-H482 VanDerWaalsContact CD-NE2 3.26Å; K91-H482 WeakPolarHBondContact CD-NE2 3.26Å; K91-H482 PolarHBondContact N-O 3.12Å; K91-H482 PolarHBondContact O-N 3.25Å; V110-H482 HydrophobicContact CG1-CB 3.85Å; R122-H482 WeakPolarHBondContact O-CA 3.36Å; V123-H482 HydrophobicContact CG2-CB 4.15Å; H482-F484 AromaticContact CD2-CE1 3.8Å
483	Q	89.3	Confident	83.7	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.3	-174.4	-38.5	-177.9	0.2	0	0	107.7	I89 I90 A121 R122 S481	I89-Q483 VanDerWaalsContact O-CA 3.25Å; I89-Q483 WeakPolarHBondContact O-CA 3.33Å; I90-Q483 HydrophobicContact CB-CG 4.44Å; I90-Q483 HydrophobicContact CG1-CB 4.15Å; I90-Q483 HydrophobicContact CG1-CG 3.94Å; I90-Q483 HydrophobicContact CG2-CG 4.14Å; A121-Q483 CarbonylContact C-O 3.53Å; A121-Q483 WeakPolarHBondContact CA-O 3.33Å; R122-Q483 HydrophobicContact CG-CB 3.69Å; R122-Q483 HydrophobicContact CG-CG 4.25Å; R122-Q483 PolarHBondContact N-O 3.22Å; R122-Q483 PolarHBondContact O-N 3.28Å; S481-Q483 PolarHBondContact OG-NE2 2.75Å
484	F	89.9	Confident	83.3	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.4	-177	57.9	-96.3	0	0	0	109.5	I89 L112 P113 V116 A121 H482 I486	I89-F484 HydrophobicContact CB-CD2 4.29Å; I89-F484 HydrophobicContact CB-CE2 3.84Å; I89-F484 HydrophobicContact CB-CZ 3.96Å; I89-F484 HydrophobicContact CG1-CE2 4.26Å; I89-F484 HydrophobicContact CG2-CE1 4.24Å; I89-F484 HydrophobicContact CG2-CE2 4.14Å; I89-F484 HydrophobicContact CG2-CZ 3.75Å; I89-F484 PolarHBondContact N-O 3.18Å; I89-F484 PolarHBondContact O-N 2.92Å; L112-F484 HydrophobicContact CD2-CB 4.3Å; L112-F484 HydrophobicContact CD2-CD1 3.85Å; L112-F484 HydrophobicContact CD2-CE1 4.5Å; L112-F484 HydrophobicContact CD2-CG 4.19Å; P113-F484 HydrophobicContact CG-CD2 4.31Å; P113-F484 HydrophobicContact CG-CE2 3.56Å; P113-F484 HydrophobicContact CG-CZ 3.82Å; V116-F484 HydrophobicContact CG1-CB 4.12Å; V116-F484 HydrophobicContact CG2-CB 4.29Å; V116-F484 HydrophobicContact CG2-CD2 3.65Å; V116-F484 HydrophobicContact CG2-CE2 4.19Å; V116-F484 HydrophobicContact CG2-CG 4.06Å; A121-F484 HydrophobicContact CB-CB 4.21Å; H482-F484 AromaticContact CD2-CE1 3.8Å; F484-I486 HydrophobicContact CD2-CG2 3.85Å; F484-I486 HydrophobicContact CE2-CD1 4.4Å; F484-I486 HydrophobicContact CE2-CG2 3.71Å
485	N	89.9	Confident	83.3	Confident	16 Å²	16	35.4 Å²	35.4	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144	174.6	-68.3	40.9	0	0	0	110.3	A84 E85 S87 V116 I117 S120	A84-N485 HydrophobicContact CB-CB 4.07Å; A84-N485 PolarHBondContact O-ND2 2.93Å; E85-N485 VanDerWaalsContact O-CB 3.31Å; E85-N485 WeakPolarHBondContact O-CB 3.43Å; E85-N485 PolarHBondContact O-ND2 2.96Å; S87-N485 VanDerWaalsContact O-CA 3.32Å; S87-N485 WeakPolarHBondContact O-CA 3.49Å; V116-N485 WeakPolarHBondContact CA-O 3Å; I117-N485 HydrophobicContact CB-CB 4.2Å; I117-N485 HydrophobicContact CD1-CB 3.85Å; I117-N485 HydrophobicContact CG1-CB 4.46Å; I117-N485 PolarHBondContact N-O 2.84Å; S120-N485 PolarHBondContact OG-N 2.88Å
486	I	89.4	Confident	83.3	Confident	15 Å²	15	38.6 Å²	38.6	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.2	173	46.6	-176.3	0	0	0	108.9	G86 S87 I89 P113 V116 F484 T488 F489	G86-I486 WeakPolarHBondContact CA-O 3.4Å; S87-I486 PolarHBondContact N-O 3.39Å; S87-I486 PolarHBondContact O-N 3.29Å; I89-I486 HydrophobicContact CD1-CD1 4.18Å; I89-I486 HydrophobicContact CG1-CD1 3.48Å; I89-I486 VanDerWaalsContact CG1-CD1 3.48Å; I89-I486 HydrophobicContact CG1-CG1 3.8Å; P113-I486 HydrophobicContact CG-CG2 4.14Å; V116-I486 HydrophobicContact CG2-CG2 4.23Å; F484-I486 HydrophobicContact CD2-CG2 3.85Å; F484-I486 HydrophobicContact CE2-CD1 4.4Å; F484-I486 HydrophobicContact CE2-CG2 3.71Å; I486-T488 PolarHBondContact O-N 3.44Å; I486-F489 HydrophobicContact CB-CE2 4.04Å; I486-F489 HydrophobicContact CD1-CD2 4.1Å; I486-F489 HydrophobicContact CD1-CE2 3.18Å; I486-F489 HydrophobicContact CD1-CZ 3.8Å; I486-F489 HydrophobicContact CG1-CD2 4.38Å; I486-F489 HydrophobicContact CG1-CE2 3.56Å; I486-F489 HydrophobicContact CG1-CZ 4.44Å
487	P	87.3	Confident	83.2	Confident	67 Å²	67	39.1 Å²	39.1	44%	0.435	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-50.4	141.1	172.6	-28.2	33.8	0	0	0	111.4	N115 F489	N115-P487 WeakPolarHBondContact O-CD 3.5Å; P487-F489 VanDerWaalsContact O-CD2 3.24Å; P487-F489 WeakPolarHBondContact O-CD2 3.47Å; P487-F489 WeakPolarHBondContact O-CE2 2.95Å; P487-F489 PolarHBondContact O-N 2.84Å
488	T	80.4	Confident	83.1	Confident	19 Å²	19	44.9 Å²	44.9	12%	0.117	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63.8	129.2	-173.2	-64.7	0	0	0	0	111.8	S87 I486 V600 E614 E616	S87-T488 WeakPolarHBondContact OG-CA 3.35Å; S87-T488 PolarHBondContact OG-OG1 2.78Å; I486-T488 PolarHBondContact O-N 3.44Å; T488-V600 HydrophobicContact CG2-CG1 4.2Å; T488-E614 HydrophobicContact CG2-CB 3.4Å; T488-E614 VanDerWaalsContact CG2-CB 3.4Å; T488-E616 VanDerWaalsContact CB-OE1 3.27Å; T488-E616 WeakPolarHBondContact CB-OE1 3.3Å; T488-E616 HydrophobicContact CG2-CG 4.13Å; T488-E616 PolarHBondContact OG1-OE1 3.49Å
489	F	71.2	Confident	83.1	Confident	114 Å²	114	45.9 Å²	45.9	50%	0.5	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-86.5	119.4	179.6	-67.3	-96.1	0	0	0	109.8	I486 P487	I486-F489 HydrophobicContact CB-CE2 4.04Å; I486-F489 HydrophobicContact CD1-CD2 4.1Å; I486-F489 HydrophobicContact CD1-CE2 3.18Å; I486-F489 HydrophobicContact CD1-CZ 3.8Å; I486-F489 HydrophobicContact CG1-CD2 4.38Å; I486-F489 HydrophobicContact CG1-CE2 3.56Å; I486-F489 HydrophobicContact CG1-CZ 4.44Å; P487-F489 VanDerWaalsContact O-CD2 3.24Å; P487-F489 WeakPolarHBondContact O-CD2 3.47Å; P487-F489 WeakPolarHBondContact O-CE2 2.95Å; P487-F489 PolarHBondContact O-N 2.84Å
490	T	63.2	Low	83.1	Confident	102 Å²	102	51.9 Å²	51.9	63%	0.626	27%	0.268	S	S	*	.			trans	-92.3	-5.1	176.9	37.6	0	0	0	0	113.4	A492	T490-A492 PolarHBondContact O-N 2.62Å; T490-A492 VanDerWaalsContact O-N 3.07Å
491	D	57	Low	83.1	Confident	159 Å²	159	54 Å²	54	85%	0.85	28%	0.282	S	S	*	.			trans	-78.9	95.7	-179.6	-86.6	-22.1	0	0	0	111.4
492	A	61.8	Low	83.2	Confident	8 Å²	8	58.6 Å²	58.6	7%	0.066	30%	0.304	C	S	.	.			trans	-117.8	129.8	174	0	0	0	0	0	112.7	T490 L495 R496 A613	T490-A492 PolarHBondContact O-N 2.62Å; T490-A492 VanDerWaalsContact O-N 3.07Å; A492-L495 WeakPolarHBondContact CB-O 3.27Å; A492-R496 HydrophobicContact CB-CG 4.28Å; A492-R496 PolarHBondContact O-NE 2.88Å; A492-R496 PolarHBondContact O-NH2 2.78Å; A492-A613 HydrophobicContact CB-CB 3.22Å
493	T	67.8	Low	83.1	Confident	119 Å²	119	59.3 Å²	59.3	73%	0.73	31%	0.312	S	S	*	.	S	Bend	trans	-92.9	-28.4	-175.8	54.2	0	0	0	0	112.4
494	T	83.3	Confident	82.8	Confident	39 Å²	39	63.5 Å²	63.5	24%	0.239	33%	0.334	C	S	.	.	S	Bend	trans	-118.2	-56	-169.5	36.1	0	0	0	0	113.5	Y522 S523 D611	T494-Y522 WeakPolarHBondContact O-CD2 3.33Å; T494-S523 PolarHBondContact O-N 3.17Å; T494-D611 VanDerWaalsContact CB-OD1 3.28Å; T494-D611 WeakPolarHBondContact CB-OD1 3.5Å; T494-D611 VanDerWaalsContact OG1-CG 3.24Å; T494-D611 PolarHBondContact OG1-OD1 2.79Å
495	L	87.6	Confident	82.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.5	173.3	-74.1	169.2	0	0	0	110.6	A492 Y522 T529 V532 L575 I603 D605 D611 A613	A492-L495 WeakPolarHBondContact CB-O 3.27Å; L495-Y522 HydrophobicContact CD2-CD2 3.92Å; L495-Y522 HydrophobicContact CG-CD2 4.39Å; L495-T529 HydrophobicContact CD2-CG2 4.05Å; L495-V532 HydrophobicContact CD2-CG1 4.47Å; L495-V532 HydrophobicContact CD2-CG2 4.22Å; L495-L575 HydrophobicContact CD2-CD1 3.98Å; L495-I603 HydrophobicContact CB-CG2 4.27Å; L495-D605 HydrophobicContact CD1-CB 4.31Å; L495-D611 WeakPolarHBondContact CD1-O 3Å; L495-A613 VanDerWaalsContact O-CB 3.29Å; L495-A613 WeakPolarHBondContact O-CB 3.31Å
496	R	88.6	Confident	81.4	Confident	125 Å²	125	71.1 Å²	71.1	47%	0.472	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140.9	174.3	-66.2	-176.4	179.6	180	-2.4	110	A492 S520 L521	A492-R496 HydrophobicContact CB-CG 4.28Å; A492-R496 PolarHBondContact O-NE 2.88Å; A492-R496 PolarHBondContact O-NH2 2.78Å; R496-S520 WeakPolarHBondContact O-CA 3.49Å; R496-L521 HydrophobicContact CB-CB 4.44Å; R496-L521 PolarHBondContact N-O 3.48Å; R496-L521 PolarHBondContact O-N 2.76Å
497	V	90	Very high	80.1	Confident	11 Å²	11	74.3 Å²	74.3	7%	0.067	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.9	168.1	59.6	0	0	0	0	107.8	L518 Q519 I601 I603 T615	V497-L518 HydrophobicContact CG2-CD2 4.49Å; V497-Q519 CarbonylContact C-O 3.6Å; V497-Q519 VanDerWaalsContact CA-O 3.31Å; V497-Q519 WeakPolarHBondContact CA-O 3.41Å; V497-I601 HydrophobicContact CG1-CG2 4.17Å; V497-I601 HydrophobicContact CG2-CG2 4.06Å; V497-I603 HydrophobicContact CB-CB 3.96Å; V497-I603 HydrophobicContact CB-CD1 4.31Å; V497-I603 HydrophobicContact CB-CG2 3.68Å; V497-I603 HydrophobicContact CG1-CB 3.91Å; V497-I603 HydrophobicContact CG1-CG2 3.47Å; V497-I603 VanDerWaalsContact CG1-CG2 3.47Å; V497-T615 HydrophobicContact CG1-CG2 3.76Å
498	K	90.8	Very high	78.9	Confident	121 Å²	121	78 Å²	78	53%	0.526	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.6	168.6	-63.9	-177.8	179.7	178.2	0	108.9	L518 Q519	K498-L518 WeakPolarHBondContact O-CA 3.46Å; K498-Q519 HydrophobicContact CB-CB 4.28Å; K498-Q519 PolarHBondContact N-O 2.91Å; K498-Q519 PolarHBondContact O-N 3.45Å
499	V	92.4	Very high	77.9	Confident	22 Å²	22	79.6 Å²	79.6	13%	0.133	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.2	179.7	60.8	0	0	0	0	110.2	I516 Q517 L518 I601 T615 E616 Y617	V499-I516 HydrophobicContact CG2-CG2 3.32Å; V499-Q517 CarbonylContact C-O 3.57Å; V499-Q517 VanDerWaalsContact CA-O 3.31Å; V499-Q517 WeakPolarHBondContact CA-O 3.1Å; V499-L518 HydrophobicContact CB-CD2 4.23Å; V499-L518 HydrophobicContact CG2-CD2 4.01Å; V499-I601 HydrophobicContact CB-CD1 3.8Å; V499-I601 HydrophobicContact CG1-CD1 4.19Å; V499-I601 HydrophobicContact CG2-CD1 3.58Å; V499-T615 HydrophobicContact CB-CG2 4.2Å; V499-T615 HydrophobicContact CG1-CG2 3.6Å; V499-E616 VanDerWaalsContact CG1-O 3.29Å; V499-E616 WeakPolarHBondContact CG1-O 3.36Å; V499-Y617 HydrophobicContact CG2-CG 4.19Å
500	E	93.6	Very high	77.6	Confident	126 Å²	126	83.9 Å²	83.9	59%	0.589	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	106.1	175.1	-68.6	177.5	-176.7	0	0	108.7	Q517	E500-Q517 HydrophobicContact CB-CB 4.28Å; E500-Q517 PolarHBondContact N-O 3.08Å; E500-Q517 PolarHBondContact O-N 2.86Å
501	P	92.5	Very high	78	Confident	46 Å²	46	84.2 Å²	84.2	30%	0.299	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.7	177	30.3	-31.3	0	0	0	111.3	L514 N618	P501-L514 HydrophobicContact CB-CD1 3.8Å; P501-N618 WeakPolarHBondContact CB-O 3.1Å
502	E	91.6	Very high	79.3	Confident	97 Å²	97	77.8 Å²	77.8	45%	0.453	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	179.2	-63.2	173.8	159.9	0	0	109.5	N515	E502-N515 HydrophobicContact CB-CB 4.31Å; E502-N515 PolarHBondContact N-O 3.25Å; E502-N515 PolarHBondContact O-N 3.14Å; E502-N515 PolarHBondContact OE2-ND2 2.9Å
503	A	87.9	Confident	80.6	Confident	27 Å²	27	83.6 Å²	83.6	22%	0.223	44%	0.442	C	S	.	.			trans	-141.7	144.8	171.5	0	0	0	0	0	110.5	C505 R513 L514 Y619 P620	A503-C505 PolarHBondContact O-N 3.26Å; A503-R513 WeakPolarHBondContact CB-O 3.43Å; A503-L514 HydrophobicContact CB-CD1 4.17Å; A503-Y619 HydrophobicContact CB-CD2 4.44Å; A503-Y619 HydrophobicContact CB-CE2 3.8Å; A503-P620 HydrophobicContact CB-CG 3.83Å
504	D	83.3	Confident	81.8	Confident	97 Å²	97	77.9 Å²	77.9	52%	0.519	41%	0.407	S	S	.	.			trans	-84	99.4	173.3	-175.5	-4.1	0	0	0	109.6	S506 V507	D504-S506 VanDerWaalsContact C-N 3.29Å; D504-S506 WeakPolarHBondContact OD1-CB 3.45Å; D504-S506 PolarHBondContact OD1-N 2.92Å; D504-S506 PolarHBondContact OD1-OG 2.89Å; D504-V507 WeakPolarHBondContact OD2-CG2 3.32Å
505	C	78.6	Confident	82.2	Confident	75 Å²	75	78 Å²	78	51%	0.507	41%	0.406	S	S	.	.			trans	-82.2	-6.2	178.9	-47.1	0	0	0	0	113.4	A503 C621	A503-C505 PolarHBondContact O-N 3.26Å; C505-C621 WeakPolarHBondContact CA-SG 3.27Å; C505-C621 HydrophobicContact CB-CB 3.66Å; C505-C621 WeakPolarHBondContact CB-SG 3.46Å; C505-C621 WeakPolarHBondContact SG-CA 3.44Å; C505-C621 WeakPolarHBondContact SG-CB 3.18Å; C505-C621 CovalentContact SG-SG 2.03Å; C505-C621 PolarHBondContact SG-SG 2.89Å
506	S	71.6	Confident	82.5	Confident	104 Å²	104	78 Å²	78	73%	0.727	41%	0.406	S	S	*	.	S	Bend	trans	-82.6	-25.3	-176.5	73.7	0	0	0	0	112.6	D504	D504-S506 VanDerWaalsContact C-N 3.29Å; D504-S506 WeakPolarHBondContact OD1-CB 3.45Å; D504-S506 PolarHBondContact OD1-N 2.92Å; D504-S506 PolarHBondContact OD1-OG 2.89Å
507	V	62.5	Low	82.8	Confident	82 Å²	82	75 Å²	75	50%	0.497	40%	0.398	S	S	.	.			trans	-98.3	137.4	175.6	-170.1	0	0	0	0	107.9	D504 P509	D504-V507 WeakPolarHBondContact OD2-CG2 3.32Å; V507-P509 WeakPolarHBondContact O-CD 3.39Å
508	T	61.4	Low	83	Confident	144 Å²	144	74.6 Å²	74.6	88%	0.883	40%	0.395	S	S	*	.			trans	-98.1	72	165.9	9.5	0	0	0	0	108.4
509	P	59.2	Low	83.2	Confident	54 Å²	54	71.9 Å²	71.9	35%	0.351	38%	0.384	S	S	.	.			trans	-63.5	152	172.2	31	-35.4	0	0	0	108.8	V507 K511 P512	V507-P509 WeakPolarHBondContact O-CD 3.39Å; P509-K511 PolarHBondContact O-N 3.02Å; P509-P512 HydrophobicContact CG-CB 4.3Å; P509-P512 HydrophobicContact CG-CG 4.22Å
510	Q	64.2	Low	83.3	Confident	203 Å²	203	70.8 Å²	70.8	95%	0.949	38%	0.378	S	S	*	.	S	Bend	trans	-55.8	-22.8	172.9	-79.4	176.7	-14.7	0	0	112.7
511	K	72.8	Confident	83.3	Confident	109 Å²	109	66.7 Å²	66.7	47%	0.474	36%	0.36	S	S	.	.	S	Bend	trans	-141	98.3	173.6	-63.3	-168.6	-179.1	-172	0	110.6	P509 Q588	P509-K511 PolarHBondContact O-N 3.02Å; K511-Q588 HydrophobicContact CB-CG 3.94Å
512	P	84.7	Confident	83.2	Confident	25 Å²	25	65.2 Å²	65.2	16%	0.162	35%	0.348	C	S	.	.			trans	-58.1	147.9	176.1	-25.1	34	0	0	0	112.9	P509 Q589 Y619	P509-P512 HydrophobicContact CG-CB 4.3Å; P509-P512 HydrophobicContact CG-CG 4.22Å; P512-Q589 HydrophobicContact CB-CB 4.47Å; P512-Q589 PolarHBondContact O-N 2.89Å; P512-Y619 WeakPolarHBondContact CB-OH 3.48Å
513	R	89.1	Confident	83.1	Confident	129 Å²	129	62.9 Å²	62.9	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.7	177.1	-58.6	-159.5	-175.3	175.3	-0.4	110.2	A503 E586 L587 Q588	A503-R513 WeakPolarHBondContact CB-O 3.43Å; R513-E586 WeakPolarHBondContact CD-OE1 3.41Å; R513-E586 IonicContact CZ-OE1 3.65Å; R513-E586 IonicContact NE-OE1 3.68Å; R513-E586 IonicContact NH1-OE1 2.72Å; R513-E586 PolarHBondContact NH1-OE1 2.96Å; R513-L587 CarbonylContact C-O 3.54Å; R513-L587 WeakPolarHBondContact CA-O 3.47Å; R513-Q588 HydrophobicContact CG-CG 4.41Å
514	L	91.6	Very high	82.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.2	177.2	170.3	63.2	0	0	0	107.7	P501 A503 I516 L539 F542 L587 Y617 Y619	P501-L514 HydrophobicContact CB-CD1 3.8Å; A503-L514 HydrophobicContact CB-CD1 4.17Å; L514-I516 HydrophobicContact CD2-CD1 4.33Å; L514-I516 HydrophobicContact CD2-CG1 4.25Å; L514-I516 HydrophobicContact CG-CG1 4.03Å; L514-L539 HydrophobicContact CD2-CD1 3.68Å; L514-F542 HydrophobicContact CB-CD1 4.44Å; L514-F542 HydrophobicContact CB-CE1 4.07Å; L514-L587 HydrophobicContact CB-CB 4.38Å; L514-L587 HydrophobicContact CD2-CD1 4.33Å; L514-L587 PolarHBondContact N-O 2.94Å; L514-L587 PolarHBondContact O-N 2.89Å; L514-Y617 HydrophobicContact CD2-CD2 4.35Å; L514-Y617 HydrophobicContact CD2-CE2 3.99Å; L514-Y619 HydrophobicContact CB-CD2 4.17Å; L514-Y619 HydrophobicContact CB-CE2 4.28Å; L514-Y619 HydrophobicContact CD1-CD2 4.22Å; L514-Y619 HydrophobicContact CD2-CD2 4.14Å; L514-Y619 HydrophobicContact CG-CD2 4.41Å
515	N	92.9	Very high	82.9	Confident	41 Å²	41	64.8 Å²	64.8	22%	0.219	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.3	171	-176.8	43.9	0	0	0	109.2	E502 Q517	E502-N515 HydrophobicContact CB-CB 4.31Å; E502-N515 PolarHBondContact N-O 3.25Å; E502-N515 PolarHBondContact O-N 3.14Å; E502-N515 PolarHBondContact OE2-ND2 2.9Å; N515-Q517 PolarHBondContact ND2-NE2 3.41Å
516	I	94	Very high	82.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114	-177.9	-56.6	176.7	0	0	0	107.6	V499 L514 L518 S584 L585 L587 Y617	V499-I516 HydrophobicContact CG2-CG2 3.32Å; L514-I516 HydrophobicContact CD2-CD1 4.33Å; L514-I516 HydrophobicContact CD2-CG1 4.25Å; L514-I516 HydrophobicContact CG-CG1 4.03Å; I516-L518 HydrophobicContact CG2-CD2 3.82Å; I516-L518 HydrophobicContact CG2-CG 4.16Å; I516-S584 CarbonylContact O-C 3.56Å; I516-S584 WeakPolarHBondContact O-CA 3.39Å; I516-L585 PolarHBondContact N-O 2.99Å; I516-L585 PolarHBondContact O-N 3.49Å; I516-L587 HydrophobicContact CD1-CD1 3.5Å; I516-L587 VanDerWaalsContact CD1-CD1 3.5Å; I516-L587 HydrophobicContact CD1-CG 3.94Å; I516-Y617 HydrophobicContact CD1-CD2 3.86Å; I516-Y617 HydrophobicContact CD1-CE1 4.34Å; I516-Y617 HydrophobicContact CD1-CE2 3.27Å; I516-Y617 HydrophobicContact CG1-CD2 4.37Å; I516-Y617 HydrophobicContact CG1-CE2 4.18Å
517	Q	94.6	Very high	83.3	Confident	62 Å²	62	68.7 Å²	68.7	29%	0.29	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.5	171.7	-59	-66	-12.2	0	0	109.3	V499 E500 N515	V499-Q517 CarbonylContact C-O 3.57Å; V499-Q517 VanDerWaalsContact CA-O 3.31Å; V499-Q517 WeakPolarHBondContact CA-O 3.1Å; E500-Q517 HydrophobicContact CB-CB 4.28Å; E500-Q517 PolarHBondContact N-O 3.08Å; E500-Q517 PolarHBondContact O-N 2.86Å; N515-Q517 PolarHBondContact ND2-NE2 3.41Å
518	L	94.4	Very high	84.3	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.9	-178.6	-60	169.2	0	0	0	108.9	V497 K498 V499 I516 I536 N582 H583 I601	V497-L518 HydrophobicContact CG2-CD2 4.49Å; K498-L518 WeakPolarHBondContact O-CA 3.46Å; V499-L518 HydrophobicContact CB-CD2 4.23Å; V499-L518 HydrophobicContact CG2-CD2 4.01Å; I516-L518 HydrophobicContact CG2-CD2 3.82Å; I516-L518 HydrophobicContact CG2-CG 4.16Å; L518-I536 HydrophobicContact CD1-CD1 3.47Å; L518-I536 VanDerWaalsContact CD1-CD1 3.47Å; L518-I536 HydrophobicContact CD1-CG1 4.14Å; L518-N582 CarbonylContact O-C 3.51Å; L518-N582 WeakPolarHBondContact O-CA 3.33Å; L518-H583 HydrophobicContact CB-CB 4.48Å; L518-H583 PolarHBondContact N-O 3.04Å; L518-H583 PolarHBondContact O-N 3.14Å; L518-I601 HydrophobicContact CD2-CD1 3.6Å; L518-I601 HydrophobicContact CD2-CG2 4.5Å
519	Q	94.6	Very high	85.2	Confident	64 Å²	64	60.1 Å²	60.1	30%	0.299	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.9	172.2	173.8	172.3	96	0	0	110	V497 K498 A580 I581 N582	V497-Q519 CarbonylContact C-O 3.6Å; V497-Q519 VanDerWaalsContact CA-O 3.31Å; V497-Q519 WeakPolarHBondContact CA-O 3.41Å; K498-Q519 HydrophobicContact CB-CB 4.28Å; K498-Q519 PolarHBondContact N-O 2.91Å; K498-Q519 PolarHBondContact O-N 3.45Å; Q519-A580 HydrophobicContact CG-CB 4.01Å; Q519-I581 CarbonylContact C-O 3.54Å; Q519-I581 WeakPolarHBondContact CA-O 3.4Å; Q519-N582 WeakPolarHBondContact CB-OD1 3.33Å; Q519-N582 VanDerWaalsContact CG-OD1 3.31Å; Q519-N582 WeakPolarHBondContact CG-OD1 3.45Å; Q519-N582 PolarHBondContact NE2-OD1 3.46Å
520	S	94.3	Very high	86	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135	176.3	-56.7	0	0	0	0	110.9	R496 A580 I581	R496-S520 WeakPolarHBondContact O-CA 3.49Å; S520-A580 WeakPolarHBondContact O-CA 3.4Å; S520-I581 PolarHBondContact N-O 2.84Å; S520-I581 PolarHBondContact O-N 2.63Å
521	L	92.6	Very high	86.6	Confident	40 Å²	40	49 Å²	49	21%	0.209	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.8	-179.7	179.2	67.6	0	0	0	111	R496 A580	R496-L521 HydrophobicContact CB-CB 4.44Å; R496-L521 PolarHBondContact N-O 3.48Å; R496-L521 PolarHBondContact O-N 2.76Å; L521-A580 HydrophobicContact CD1-CB 4.29Å
522	Y	92.1	Very high	87.1	Confident	14 Å²	14	43.8 Å²	43.8	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.3	170.8	175.9	-121	0	0	0	111.5	T494 L495 G524 E526 T529 R577 G578	T494-Y522 WeakPolarHBondContact O-CD2 3.33Å; L495-Y522 HydrophobicContact CD2-CD2 3.92Å; L495-Y522 HydrophobicContact CG-CD2 4.39Å; Y522-G524 VanDerWaalsContact CE2-CA 3.48Å; Y522-G524 VanDerWaalsContact CE2-N 3.32Å; Y522-G524 VanDerWaalsContact CZ-CA 3.43Å; Y522-G524 WeakPolarHBondContact OH-CA 3.16Å; Y522-E526 HydrophobicContact CE1-CB 4.46Å; Y522-E526 VanDerWaalsContact CE1-O 3.32Å; Y522-E526 WeakPolarHBondContact CE1-O 3.45Å; Y522-E526 WeakPolarHBondContact OH-CB 3.18Å; Y522-E526 PolarHBondContact OH-N 2.87Å; Y522-T529 HydrophobicContact CD1-CG2 3.52Å; Y522-T529 HydrophobicContact CD2-CG2 3.28Å; Y522-T529 HydrophobicContact CE1-CG2 3.89Å; Y522-T529 HydrophobicContact CE2-CG2 3.66Å; Y522-T529 HydrophobicContact CG-CG2 3.19Å; Y522-R577 HydrophobicContact CD1-CB 4.02Å; Y522-R577 HydrophobicContact CE1-CB 4.26Å; Y522-G578 PolarHBondContact O-N 3.32Å
523	S	89.2	Confident	87.1	Confident	49 Å²	49	42.6 Å²	42.6	34%	0.343	21%	0.208	S	C	.	.			trans	-128.8	14	-178	-59.3	0	0	0	0	113.5	T494	T494-S523 PolarHBondContact O-N 3.17Å
524	G	84.3	Confident	87.2	Confident	6 Å²	6	36.5 Å²	36.5	6%	0.062	19%	0.185	C	C	.	.	S	Bend	trans	-72.8	-173.3	-178.8	0	0	0	0	0	115	Y522 R577	Y522-G524 VanDerWaalsContact CE2-CA 3.48Å; Y522-G524 VanDerWaalsContact CE2-N 3.32Å; Y522-G524 VanDerWaalsContact CZ-CA 3.43Å; Y522-G524 WeakPolarHBondContact OH-CA 3.16Å; G524-R577 VanDerWaalsContact O-CD 3.26Å; G524-R577 WeakPolarHBondContact O-CD 3.47Å; G524-R577 PolarHBondContact O-NE 2.98Å
525	K	81.4	Confident	87.1	Confident	157 Å²	157	37.7 Å²	37.7	68%	0.683	19%	0.192	S	C	*	.	S	Bend	trans	-72.1	-35.6	-175.2	-64.8	178.7	-176.4	171.7	0	112.5	E357 R577	E357-K525 IonicContact OE1-NZ 3.27Å; E357-K525 IonicContact OE2-NZ 3.4Å; K525-R577 PolarHBondContact O-NH1 3.29Å
526	E	79	Confident	87.1	Confident	131 Å²	131	35.8 Å²	35.8	61%	0.612	18%	0.181	S	C	*	.	S	Bend	trans	-74.3	161.9	-176.3	-60.4	-59.3	145.8	0	0	112.6	Y522 R577	Y522-E526 HydrophobicContact CE1-CB 4.46Å; Y522-E526 VanDerWaalsContact CE1-O 3.32Å; Y522-E526 WeakPolarHBondContact CE1-O 3.45Å; Y522-E526 WeakPolarHBondContact OH-CB 3.18Å; Y522-E526 PolarHBondContact OH-N 2.87Å; E526-R577 WeakPolarHBondContact O-CD 3.37Å
527	N	81.4	Confident	87	Confident	130 Å²	130	38.2 Å²	38.2	70%	0.695	19%	0.192	S	C	*	.	S	Bend	trans	-73.1	-34.1	177	-75	-16.8	0	0	0	112.8	R577	N527-R577 WeakPolarHBondContact O-CB 3.42Å; N527-R577 PolarHBondContact O-N 3.5Å
528	T	83.1	Confident	87	Confident	39 Å²	39	35.7 Å²	35.7	24%	0.239	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-139.7	147.2	177.8	61.8	0	0	0	0	109.6	K258 L575 Q576	K258-T528 PolarHBondContact NZ-OG1 2.84Å; T528-L575 CarbonylContact C-O 3.54Å; T528-L575 VanDerWaalsContact CA-O 3.27Å; T528-L575 WeakPolarHBondContact CA-O 3.47Å; T528-Q576 HydrophobicContact CG2-CG 4.04Å
529	T	80	Confident	86.9	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.043	18%	0.181	C	C	.	.			trans	-69.2	173.4	169.6	63.9	0	0	0	0	111.4	L495 Y522 V532 L575	L495-T529 HydrophobicContact CD2-CG2 4.05Å; Y522-T529 HydrophobicContact CD1-CG2 3.52Å; Y522-T529 HydrophobicContact CD2-CG2 3.28Å; Y522-T529 HydrophobicContact CE1-CG2 3.89Å; Y522-T529 HydrophobicContact CE2-CG2 3.66Å; Y522-T529 HydrophobicContact CG-CG2 3.19Å; T529-V532 HydrophobicContact CG2-CG2 4.1Å; T529-V532 VanDerWaalsContact OG1-CG2 3.31Å; T529-V532 WeakPolarHBondContact OG1-CG2 3.12Å; T529-L575 HydrophobicContact CG2-CB 3.91Å; T529-L575 PolarHBondContact N-O 3.08Å; T529-L575 PolarHBondContact OG1-N 2.66Å
530	N	75.9	Confident	86.7	Confident	21 Å²	21	37.7 Å²	37.7	11%	0.112	20%	0.197	C	C	.	.	S	Bend	trans	-73.1	-163.4	155.7	-49.4	-46.9	0	0	0	110	F260 N262 V532 D605 Y607	F260-N530 WeakPolarHBondContact O-CB 3.45Å; F260-N530 PolarHBondContact O-OD1 3.41Å; N262-N530 PolarHBondContact ND2-OD1 3.25Å; N530-V532 PolarHBondContact O-N 3.17Å; N530-D605 WeakPolarHBondContact CB-OD2 3.26Å; N530-D605 PolarHBondContact N-OD2 2.9Å; N530-D605 PolarHBondContact ND2-OD1 3.24Å; N530-D605 PolarHBondContact ND2-OD2 2.84Å; N530-Y607 HydrophobicContact CB-CD2 3.85Å
531	M	76.7	Confident	86.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.206	C	C	.	.			trans	-64.3	134.2	169	-177.3	178.9	67.8	0	0	110.4	Y571 L572 R573 Y606 Y607	M531-Y571 HydrophobicContact CE-CD1 4.4Å; M531-Y571 HydrophobicContact SD-CD1 4.33Å; M531-L572 CarbonylContact C-O 3.55Å; M531-L572 WeakPolarHBondContact CA-O 3.5Å; M531-L572 WeakPolarHBondContact CG-O 3.49Å; M531-R573 WeakPolarHBondContact CA-O 3.46Å; M531-Y606 HydrophobicContact CE-CD1 3.17Å; M531-Y606 HydrophobicContact CE-CD2 3.85Å; M531-Y606 HydrophobicContact CE-CE1 3.79Å; M531-Y606 HydrophobicContact CE-CE2 4.34Å; M531-Y606 HydrophobicContact CE-CG 3.23Å; M531-Y606 VanDerWaalsContact O-CB 3.3Å; M531-Y606 WeakPolarHBondContact O-CB 3.39Å; M531-Y606 PolarHBondContact O-N 2.91Å; M531-Y607 HydrophobicContact CB-CE2 4.1Å; M531-Y607 HydrophobicContact CE-CE2 4.4Å
532	V	83.8	Confident	86.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.3	-176.1	174.1	0	0	0	0	109.3	L495 T529 N530 L572 L575 I603 Y604	L495-V532 HydrophobicContact CD2-CG1 4.47Å; L495-V532 HydrophobicContact CD2-CG2 4.22Å; T529-V532 HydrophobicContact CG2-CG2 4.1Å; T529-V532 VanDerWaalsContact OG1-CG2 3.31Å; T529-V532 WeakPolarHBondContact OG1-CG2 3.12Å; N530-V532 PolarHBondContact O-N 3.17Å; V532-L572 HydrophobicContact CB-CB 4.26Å; V532-L572 PolarHBondContact N-O 3.07Å; V532-L572 WeakPolarHBondContact O-CB 3.4Å; V532-L572 PolarHBondContact O-N 2.87Å; V532-L575 HydrophobicContact CB-CD1 4.38Å; V532-L575 HydrophobicContact CG1-CD1 4.13Å; V532-L575 HydrophobicContact CG2-CD1 4.11Å; V532-L575 HydrophobicContact CG2-CG 4.22Å; V532-I603 HydrophobicContact CG1-CD1 3.8Å; V532-I603 HydrophobicContact CG1-CG1 3.43Å; V532-I603 VanDerWaalsContact CG1-CG1 3.43Å; V532-Y604 WeakPolarHBondContact CA-O 3.44Å
533	I	84.4	Confident	86.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.1	171.7	-55.1	-52.3	0	0	0	109.4	D535 V569 M570 Y571 I603 Y604 Y606	I533-D535 HydrophobicContact CG2-CB 4.3Å; I533-V569 HydrophobicContact CG2-CG1 3.5Å; I533-M570 WeakPolarHBondContact CA-O 3.38Å; I533-Y571 HydrophobicContact CD1-CD1 3.17Å; I533-Y571 HydrophobicContact CD1-CE1 3.48Å; I533-Y571 VanDerWaalsContact CD1-CE1 3.48Å; I533-Y571 HydrophobicContact CD1-CG 3.8Å; I533-I603 CarbonylContact O-C 3.52Å; I533-I603 VanDerWaalsContact O-CA 3.25Å; I533-I603 WeakPolarHBondContact O-CA 3.44Å; I533-Y604 HydrophobicContact CB-CD1 4.4Å; I533-Y604 HydrophobicContact CB-CD2 4.08Å; I533-Y604 HydrophobicContact CB-CE1 3.99Å; I533-Y604 HydrophobicContact CB-CE2 3.63Å; I533-Y604 HydrophobicContact CB-CG 4.44Å; I533-Y604 HydrophobicContact CG1-CD2 4.28Å; I533-Y604 HydrophobicContact CG1-CE2 3.68Å; I533-Y604 HydrophobicContact CG2-CE1 3.92Å; I533-Y604 HydrophobicContact CG2-CE2 4.16Å; I533-Y604 WeakPolarHBondContact CG2-OH 3.39Å; I533-Y604 PolarHBondContact N-O 2.98Å; I533-Y604 PolarHBondContact O-N 3.28Å; I533-Y606 HydrophobicContact CD1-CD2 3.61Å; I533-Y606 HydrophobicContact CD1-CE2 4.5Å; I533-Y606 HydrophobicContact CD1-CG 4.17Å; I533-Y606 HydrophobicContact CG1-CD2 3.52Å; I533-Y606 HydrophobicContact CG1-CG 4.11Å
534	V	90.8	Very high	86.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.3	163.2	-174.1	0	0	0	0	107	I536 M570 L572 I601 K602 I603	V534-I536 HydrophobicContact CG1-CD1 4.4Å; V534-I536 HydrophobicContact CG1-CG1 4.04Å; V534-M570 HydrophobicContact CB-CB 4.3Å; V534-M570 HydrophobicContact CB-CE 3.71Å; V534-M570 HydrophobicContact CG1-CE 4.12Å; V534-M570 HydrophobicContact CG2-CE 3.73Å; V534-M570 PolarHBondContact N-O 2.91Å; V534-M570 PolarHBondContact O-N 3.18Å; V534-L572 HydrophobicContact CG2-CD1 3.81Å; V534-L572 HydrophobicContact CG2-CG 4.36Å; V534-I601 HydrophobicContact CG1-CG2 3.92Å; V534-K602 CarbonylContact C-O 3.55Å; V534-K602 WeakPolarHBondContact CA-O 3.46Å; V534-I603 HydrophobicContact CG2-CD1 4.09Å; V534-I603 HydrophobicContact CG2-CG1 4.04Å
535	D	90.2	Very high	86.8	Confident	26 Å²	26	37 Å²	37	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.8	-179.7	-174.6	-1.4	0	0	0	109.4	I533 H567 I601 K602 Y604	I533-D535 HydrophobicContact CG2-CB 4.3Å; D535-H567 IonicContact OD1-CE1 2.6Å; D535-H567 IonicContact OD1-CG 2.66Å; D535-H567 IonicContact OD1-ND1 3.97Å; D535-H567 PolarHBondContact OD1-ND1 3.38Å; D535-H567 IonicContact OD2-ND1 3.52Å; D535-I601 CarbonylContact O-C 3.51Å; D535-I601 WeakPolarHBondContact O-CA 3.46Å; D535-K602 HydrophobicContact CB-CB 4.34Å; D535-K602 PolarHBondContact N-O 3.5Å; D535-K602 PolarHBondContact O-N 3.08Å; D535-Y604 HydrophobicContact CB-CE1 3.98Å
536	I	92.9	Very high	87	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.4	-173.1	-56.2	154.8	0	0	0	107.9	L518 V534 H567 V568 L585 I601	L518-I536 HydrophobicContact CD1-CD1 3.47Å; L518-I536 VanDerWaalsContact CD1-CD1 3.47Å; L518-I536 HydrophobicContact CD1-CG1 4.14Å; V534-I536 HydrophobicContact CG1-CD1 4.4Å; V534-I536 HydrophobicContact CG1-CG1 4.04Å; I536-H567 WeakPolarHBondContact O-CA 3.2Å; I536-V568 HydrophobicContact CB-CB 4.32Å; I536-V568 WeakPolarHBondContact CB-O 3.31Å; I536-V568 HydrophobicContact CD1-CG1 4.47Å; I536-V568 PolarHBondContact N-O 2.94Å; I536-V568 PolarHBondContact O-N 2.97Å; I536-L585 HydrophobicContact CD1-CD2 4.05Å; I536-L585 HydrophobicContact CG2-CD2 4.05Å; I536-I601 HydrophobicContact CB-CG1 4.4Å; I536-I601 HydrophobicContact CG1-CG1 4.36Å; I536-I601 HydrophobicContact CG1-CG2 4.21Å; I536-I601 HydrophobicContact CG2-CG1 4.04Å
537	K	92.3	Very high	87.3	Confident	51 Å²	51	32.6 Å²	32.6	22%	0.222	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.7	168.2	-170.7	165.5	-173.9	163.8	0	109.3	E83 D566 A599 V600 Y617	E83-K537 IonicContact OE2-NZ 2.71Å; E83-K537 PolarHBondContact OE2-NZ 3.17Å; K537-D566 VanDerWaalsContact CE-OD2 3.23Å; K537-D566 WeakPolarHBondContact CE-OD2 3.41Å; K537-D566 IonicContact NZ-OD2 2.78Å; K537-A599 HydrophobicContact CB-CB 4.47Å; K537-A599 WeakPolarHBondContact O-CB 3.36Å; K537-V600 WeakPolarHBondContact CB-O 3.39Å; K537-V600 PolarHBondContact N-O 3.03Å; K537-V600 VanDerWaalsContact N-O 3.13Å; K537-Y617 WeakPolarHBondContact O-CE1 2.97Å; K537-Y617 PolarHBondContact O-OH 3.47Å
538	V	93.3	Very high	87.4	Confident	9 Å²	9	27.6 Å²	27.6	6%	0.055	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-83.5	138.2	178.2	-178.6	0	0	0	0	108.9	F542 D566 V568 L587	V538-F542 HydrophobicContact CG1-CB 3.91Å; V538-F542 WeakPolarHBondContact CG1-O 3.19Å; V538-D566 WeakPolarHBondContact CB-O 3.41Å; V538-D566 WeakPolarHBondContact CG2-O 3.16Å; V538-D566 PolarHBondContact N-O 3.41Å; V538-V568 HydrophobicContact CG2-CG2 4.05Å; V538-L587 HydrophobicContact CG1-CD1 4.13Å; V538-L587 HydrophobicContact CG1-CD2 4.33Å; V538-L587 HydrophobicContact CG2-CD2 4.47Å
539	L	92.3	Very high	87.5	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-59.8	142.6	175	-73.6	165.2	0	0	0	111.3	L514 G541 F542 K597 A599 Y617	L514-L539 HydrophobicContact CD2-CD1 3.68Å; L539-G541 PolarHBondContact O-N 2.61Å; L539-F542 HydrophobicContact CB-CB 4.33Å; L539-F542 HydrophobicContact CB-CD2 3.67Å; L539-F542 HydrophobicContact CB-CE2 4.3Å; L539-F542 HydrophobicContact CB-CG 4.19Å; L539-F542 WeakPolarHBondContact O-CB 3.43Å; L539-F542 PolarHBondContact O-N 2.95Å; L539-K597 WeakPolarHBondContact CD2-O 3.41Å; L539-A599 HydrophobicContact CD2-CB 3.6Å; L539-A599 HydrophobicContact CG-CB 3.89Å; L539-Y617 HydrophobicContact CD1-CD2 4.15Å; L539-Y617 HydrophobicContact CD1-CE2 3.56Å; L539-Y617 HydrophobicContact CG-CE2 3.71Å; L539-Y617 PolarHBondContact N-OH 3.36Å
540	T	91.1	Very high	87.8	Confident	104 Å²	104	31.6 Å²	31.6	64%	0.638	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	128.2	176.6	-51.4	0	0	0	0	110.9	F542 V593 L596	T540-F542 VanDerWaalsContact C-N 3.32Å; T540-V593 HydrophobicContact CG2-CG1 4.49Å; T540-V593 HydrophobicContact CG2-CG2 4.15Å; T540-V593 WeakPolarHBondContact O-CG2 2.89Å; T540-L596 WeakPolarHBondContact O-CD2 3.3Å
541	G	89.8	Confident	88.3	Confident	17 Å²	17	38.3 Å²	38.3	18%	0.175	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	2.7	-178.6	0	0	0	0	0	115	L539 Q589 E590 F591	L539-G541 PolarHBondContact O-N 2.61Å; G541-Q589 CarbonylContact O-C 3.56Å; G541-E590 PolarHBondContact O-N 3.48Å; G541-F591 PolarHBondContact O-N 3.07Å
542	F	91.7	Very high	88.9	Confident	15 Å²	15	38.4 Å²	38.4	7%	0.066	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155.5	171.4	-71.4	-105.7	0	0	0	111.5	L514 V538 L539 T540 L587 Q588 Q589 L596 Y619	L514-F542 HydrophobicContact CB-CD1 4.44Å; L514-F542 HydrophobicContact CB-CE1 4.07Å; V538-F542 HydrophobicContact CG1-CB 3.91Å; V538-F542 WeakPolarHBondContact CG1-O 3.19Å; L539-F542 HydrophobicContact CB-CB 4.33Å; L539-F542 HydrophobicContact CB-CD2 3.67Å; L539-F542 HydrophobicContact CB-CE2 4.3Å; L539-F542 HydrophobicContact CB-CG 4.19Å; L539-F542 WeakPolarHBondContact O-CB 3.43Å; L539-F542 PolarHBondContact O-N 2.95Å; T540-F542 VanDerWaalsContact C-N 3.32Å; F542-L587 HydrophobicContact CB-CB 4.32Å; F542-L587 HydrophobicContact CB-CD1 4.41Å; F542-L587 HydrophobicContact CD1-CB 4.08Å; F542-Q588 CarbonylContact C-O 3.59Å; F542-Q588 WeakPolarHBondContact CA-O 3.23Å; F542-Q589 HydrophobicContact CD1-CB 4.05Å; F542-Q589 HydrophobicContact CD2-CG 4.5Å; F542-Q589 HydrophobicContact CE1-CB 3.75Å; F542-Q589 HydrophobicContact CE1-CG 4.39Å; F542-Q589 HydrophobicContact CE2-CB 4.38Å; F542-Q589 HydrophobicContact CE2-CG 4.14Å; F542-Q589 HydrophobicContact CG-CB 4.5Å; F542-Q589 HydrophobicContact CZ-CB 3.92Å; F542-Q589 HydrophobicContact CZ-CG 4.08Å; F542-L596 HydrophobicContact CE2-CD1 4.02Å; F542-Y619 HydrophobicContact CE1-CD2 4.07Å; F542-Y619 HydrophobicContact CE1-CE2 4.1Å; F542-Y619 HydrophobicContact CE2-CG 4.43Å; F542-Y619 HydrophobicContact CZ-CD1 4.04Å; F542-Y619 AromaticContact CZ-CD2 3.69Å; F542-Y619 HydrophobicContact CZ-CD2 3.69Å; F542-Y619 HydrophobicContact CZ-CE1 4.22Å; F542-Y619 AromaticContact CZ-CE2 3.91Å; F542-Y619 HydrophobicContact CZ-CE2 3.91Å; F542-Y619 AromaticContact CZ-CG 3.77Å; F542-Y619 HydrophobicContact CZ-CG 3.77Å
543	A	91.9	Very high	88.9	Confident	20 Å²	20	44.3 Å²	44.3	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147	173.4	0	0	0	0	0	111.1	L587 Q588 E590	A543-L587 CarbonylContact O-C 3.56Å; A543-L587 WeakPolarHBondContact O-CA 3.35Å; A543-Q588 PolarHBondContact N-O 2.89Å; A543-Q588 PolarHBondContact O-N 3.16Å; A543-E590 HydrophobicContact CB-CG 3.9Å
544	P	92	Very high	89	Confident	17 Å²	17	48.5 Å²	48.5	11%	0.11	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.5	178.1	27.9	-33.9	0	0	0	112.2	H563 V568 L585 L587	P544-H563 WeakPolarHBondContact CG-NE2 3.32Å; P544-V568 HydrophobicContact CB-CG2 4.07Å; P544-V568 HydrophobicContact CG-CG2 3.97Å; P544-L585 HydrophobicContact CB-CD1 4.37Å; P544-L587 HydrophobicContact CB-CD2 4.02Å
545	V	89.5	Confident	88.9	Confident	26 Å²	26	50 Å²	50	16%	0.158	28%	0.276	C	S	.	.			trans	-80.6	129.6	179.2	-173.3	0	0	0	0	110.7	E547 P548 L549 E586 Q588	V545-E547 PolarHBondContact O-N 3.42Å; V545-P548 HydrophobicContact CB-CG 3.99Å; V545-P548 HydrophobicContact CG1-CG 4.06Å; V545-P548 WeakPolarHBondContact O-CD 3.48Å; V545-L549 WeakPolarHBondContact O-CB 3.39Å; V545-L549 PolarHBondContact O-N 2.92Å; V545-L549 VanDerWaalsContact O-N 3.11Å; V545-E586 HydrophobicContact CG2-CB 4.39Å; V545-E586 HydrophobicContact CG2-CG 4.09Å; V545-E586 PolarHBondContact N-O 2.81Å; V545-Q588 HydrophobicContact CG2-CB 3.87Å
546	S	85.6	Confident	88.7	Confident	84 Å²	84	55.5 Å²	55.5	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-58.4	-42.7	-171.3	-59.6	0	0	0	0	115.6	K550	S546-K550 PolarHBondContact O-N 2.78Å
547	E	85.2	Confident	88.4	Confident	111 Å²	111	56.9 Å²	56.9	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-72.1	-49.1	-177.4	-74.9	-58.2	130.9	0	0	113.1	V545 L549 K550 K551	V545-E547 PolarHBondContact O-N 3.42Å; E547-L549 PolarHBondContact O-N 2.81Å; E547-K550 WeakPolarHBondContact O-CB 3.25Å; E547-K550 PolarHBondContact O-N 3.04Å; E547-K550 VanDerWaalsContact O-N 3.1Å; E547-K550 IonicContact OE1-NZ 2.72Å; E547-K550 PolarHBondContact OE1-NZ 3.03Å; E547-K551 PolarHBondContact O-N 2.81Å
548	P	84.3	Confident	88.2	Confident	26 Å²	26	55 Å²	55	17%	0.169	30%	0.301	C	S	.	.	H	α-helix	trans	-54.6	-38.1	169.6	-27.8	35.9	0	0	0	113.5	V545 K550 K551 L552 E586	V545-P548 HydrophobicContact CB-CG 3.99Å; V545-P548 HydrophobicContact CG1-CG 4.06Å; V545-P548 WeakPolarHBondContact O-CD 3.48Å; P548-K550 VanDerWaalsContact C-N 3.3Å; P548-K550 PolarHBondContact O-N 3.09Å; P548-K551 WeakPolarHBondContact O-CB 3.41Å; P548-K551 PolarHBondContact O-N 2.84Å; P548-K551 VanDerWaalsContact O-N 3.08Å; P548-L552 PolarHBondContact O-N 2.96Å; P548-E586 HydrophobicContact CB-CB 3.99Å; P548-E586 HydrophobicContact CG-CB 3.91Å; P548-E586 WeakPolarHBondContact CG-OE2 3.48Å
549	L	84.3	Confident	87.3	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-36.2	176.9	-168.8	68.7	0	0	0	112.3	V545 E547 L552 R553 V561 H563 V568 L585	V545-L549 WeakPolarHBondContact O-CB 3.39Å; V545-L549 PolarHBondContact O-N 2.92Å; V545-L549 VanDerWaalsContact O-N 3.11Å; E547-L549 PolarHBondContact O-N 2.81Å; L549-L552 PolarHBondContact O-N 2.78Å; L549-R553 WeakPolarHBondContact O-CG 3.46Å; L549-R553 PolarHBondContact O-N 2.76Å; L549-R553 VanDerWaalsContact O-N 3.17Å; L549-V561 HydrophobicContact CD1-CG1 3.72Å; L549-H563 HydrophobicContact CD2-CB 4.38Å; L549-V568 HydrophobicContact CD1-CG1 4Å; L549-L585 HydrophobicContact CD1-CD1 4.2Å
550	K	85.6	Confident	86.7	Confident	115 Å²	115	62.7 Å²	62.7	50%	0.5	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-37.4	173.1	-69.4	173.7	-174.5	169.4	0	112	S546 E547 P548 R553	S546-K550 PolarHBondContact O-N 2.78Å; E547-K550 WeakPolarHBondContact O-CB 3.25Å; E547-K550 PolarHBondContact O-N 3.04Å; E547-K550 VanDerWaalsContact O-N 3.1Å; E547-K550 IonicContact OE1-NZ 2.72Å; E547-K550 PolarHBondContact OE1-NZ 3.03Å; P548-K550 VanDerWaalsContact C-N 3.3Å; P548-K550 PolarHBondContact O-N 3.09Å; K550-R553 WeakPolarHBondContact O-CB 3.13Å; K550-R553 PolarHBondContact O-N 2.83Å
551	K	87.6	Confident	86.4	Confident	162 Å²	162	58 Å²	58	70%	0.704	31%	0.306	S	S	*	.	H	α-helix	trans	-65.9	-41.7	175.2	-66.1	-179.6	-179.8	176.9	0	111.3	E547 P548 R553 A554 A555	E547-K551 PolarHBondContact O-N 2.81Å; P548-K551 WeakPolarHBondContact O-CB 3.41Å; P548-K551 PolarHBondContact O-N 2.84Å; P548-K551 VanDerWaalsContact O-N 3.08Å; K551-R553 VanDerWaalsContact C-N 3.26Å; K551-R553 PolarHBondContact O-N 2.83Å; K551-A554 CarbonylContact O-C 3.53Å; K551-A554 PolarHBondContact O-N 2.83Å; K551-A555 PolarHBondContact O-N 3.3Å
552	L	87.8	Confident	86	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-38.8	176.2	-172.7	63	0	0	0	111.6	P548 L549 A554 A555 V558 V561 M570 H583 L585	P548-L552 PolarHBondContact O-N 2.96Å; L549-L552 PolarHBondContact O-N 2.78Å; L552-A554 PolarHBondContact O-N 2.85Å; L552-A555 HydrophobicContact CD1-CB 4.49Å; L552-A555 VanDerWaalsContact O-CB 3.23Å; L552-A555 WeakPolarHBondContact O-CB 3.47Å; L552-A555 PolarHBondContact O-N 3.24Å; L552-A555 VanDerWaalsContact O-N 3.09Å; L552-V558 WeakPolarHBondContact O-CG1 3.49Å; L552-V561 HydrophobicContact CB-CG2 4.47Å; L552-V561 HydrophobicContact CD2-CG1 4.28Å; L552-V561 HydrophobicContact CD2-CG2 4.2Å; L552-V561 HydrophobicContact CG-CG2 3.97Å; L552-M570 HydrophobicContact CD1-SD 3.78Å; L552-M570 HydrophobicContact CD2-SD 4.41Å; L552-M570 HydrophobicContact CG-SD 4.21Å; L552-H583 HydrophobicContact CD1-CB 3.84Å; L552-L585 HydrophobicContact CD2-CD1 4.25Å
553	R	85.2	Confident	85.6	Confident	124 Å²	124	62.8 Å²	62.8	47%	0.468	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-25.1	174.7	-71.9	174.3	-179.1	173.7	4.2	114.5	L549 K550 K551 V561	L549-R553 WeakPolarHBondContact O-CG 3.46Å; L549-R553 PolarHBondContact O-N 2.76Å; L549-R553 VanDerWaalsContact O-N 3.17Å; K550-R553 WeakPolarHBondContact O-CB 3.13Å; K550-R553 PolarHBondContact O-N 2.83Å; K551-R553 VanDerWaalsContact C-N 3.26Å; K551-R553 PolarHBondContact O-N 2.83Å; R553-V561 HydrophobicContact CB-CG2 4.45Å; R553-V561 HydrophobicContact CG-CB 3.66Å; R553-V561 HydrophobicContact CG-CG2 3.75Å; R553-V561 PolarHBondContact NE-O 2.8Å
554	A	86.2	Confident	84.9	Confident	89 Å²	89	67.6 Å²	67.6	74%	0.736	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.4	177.9	0	0	0	0	0	112.6	K551 L552	K551-A554 CarbonylContact O-C 3.53Å; K551-A554 PolarHBondContact O-N 2.83Å; L552-A554 PolarHBondContact O-N 2.85Å
555	A	89.1	Confident	84.3	Confident	31 Å²	31	72.9 Å²	72.9	26%	0.256	37%	0.368	S	S	.	.	S	Bend	trans	-73.5	162.8	-175.8	0	0	0	0	0	112.2	K551 L552 L557 V558	K551-A555 PolarHBondContact O-N 3.3Å; L552-A555 HydrophobicContact CD1-CB 4.49Å; L552-A555 VanDerWaalsContact O-CB 3.23Å; L552-A555 WeakPolarHBondContact O-CB 3.47Å; L552-A555 PolarHBondContact O-N 3.24Å; L552-A555 VanDerWaalsContact O-N 3.09Å; A555-L557 PolarHBondContact O-N 2.83Å; A555-V558 HydrophobicContact CB-CB 4.48Å; A555-V558 HydrophobicContact CB-CG2 3.9Å; A555-V558 PolarHBondContact O-N 2.81Å
556	Q	86.3	Confident	84.1	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.664	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	134	-179	178.1	173	8	0	0	111.4	V558 H583	Q556-V558 PolarHBondContact O-N 2.86Å; Q556-H583 PolarHBondContact O-NE2 2.78Å
557	L	85.7	Confident	84.3	Confident	28 Å²	28	73 Å²	73	15%	0.147	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	-6.4	-179.4	-62.9	165.7	0	0	0	115.9	A555 D559 L572 R573 I581	A555-L557 PolarHBondContact O-N 2.83Å; L557-D559 PolarHBondContact O-N 2.65Å; L557-L572 WeakPolarHBondContact O-CA 3.43Å; L557-R573 PolarHBondContact O-N 2.55Å; L557-I581 HydrophobicContact CD1-CD1 3.74Å; L557-I581 HydrophobicContact CD1-CG1 3.82Å; L557-I581 HydrophobicContact CD1-CG2 4.46Å
558	V	87.3	Confident	84.6	Confident	13 Å²	13	67.7 Å²	67.7	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.1	174	-176.4	0	0	0	0	109.1	L552 A555 Q556 V561 M570 Y571 L572 H583	L552-V558 WeakPolarHBondContact O-CG1 3.49Å; A555-V558 HydrophobicContact CB-CB 4.48Å; A555-V558 HydrophobicContact CB-CG2 3.9Å; A555-V558 PolarHBondContact O-N 2.81Å; Q556-V558 PolarHBondContact O-N 2.86Å; V558-V561 HydrophobicContact CG1-CG2 3.61Å; V558-M570 HydrophobicContact CG1-CG 4.04Å; V558-M570 HydrophobicContact CG2-CG 3.98Å; V558-M570 HydrophobicContact CG2-SD 3.63Å; V558-Y571 WeakPolarHBondContact CA-O 3.33Å; V558-L572 HydrophobicContact CG2-CD2 3.81Å; V558-H583 WeakPolarHBondContact CG2-NE2 3.33Å
559	D	74.9	Confident	84.8	Confident	79 Å²	79	67.2 Å²	67.2	42%	0.422	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-39	173.8	-161.9	51.4	0	0	0	110.7	L557 Y571 R573	L557-D559 PolarHBondContact O-N 2.65Å; D559-Y571 PolarHBondContact N-O 3.15Å; D559-R573 HydrophobicContact CB-CG 3.88Å
560	R	79.4	Confident	85	Confident	95 Å²	95	66.6 Å²	66.6	36%	0.358	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.3	-175.1	-167.3	171.8	-176	-152	-10.9	111.4	E562 Y571	R560-E562 HydrophobicContact CG-CG 4.4Å; R560-E562 IonicContact CZ-OE1 2.7Å; R560-E562 IonicContact NE-OE1 3.34Å; R560-E562 PolarHBondContact NE-OE1 3Å; R560-E562 IonicContact NH1-OE1 2.69Å; R560-E562 PolarHBondContact NH1-OE1 2.73Å; R560-E562 IonicContact NH2-OE1 3.59Å; R560-E562 PolarHBondContact NH2-OE1 3.29Å; R560-Y571 HydrophobicContact CB-CD2 3.83Å; R560-Y571 HydrophobicContact CB-CG 4.12Å; R560-Y571 HydrophobicContact CG-CD2 4.28Å; R560-Y571 WeakPolarHBondContact O-CD2 3.49Å; R560-Y571 PolarHBondContact O-N 2.82Å
561	V	84.5	Confident	84.9	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.8	166.5	-173.4	0	0	0	0	108.9	L549 L552 R553 V558 V568 V569 M570	L549-V561 HydrophobicContact CD1-CG1 3.72Å; L552-V561 HydrophobicContact CB-CG2 4.47Å; L552-V561 HydrophobicContact CD2-CG1 4.28Å; L552-V561 HydrophobicContact CD2-CG2 4.2Å; L552-V561 HydrophobicContact CG-CG2 3.97Å; R553-V561 HydrophobicContact CB-CG2 4.45Å; R553-V561 HydrophobicContact CG-CB 3.66Å; R553-V561 HydrophobicContact CG-CG2 3.75Å; R553-V561 PolarHBondContact NE-O 2.8Å; V558-V561 HydrophobicContact CG1-CG2 3.61Å; V561-V568 HydrophobicContact CG1-CG1 3.74Å; V561-V569 CarbonylContact C-O 3.52Å; V561-V569 WeakPolarHBondContact CA-O 3.46Å; V561-M570 HydrophobicContact CG2-CG 4.46Å
562	E	82	Confident	84.8	Confident	38 Å²	38	54.1 Å²	54.1	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.7	171.9	-64.2	-173.2	-173.7	0	0	109.6	R560 V568 V569 Y571	R560-E562 HydrophobicContact CG-CG 4.4Å; R560-E562 IonicContact CZ-OE1 2.7Å; R560-E562 IonicContact NE-OE1 3.34Å; R560-E562 PolarHBondContact NE-OE1 3Å; R560-E562 IonicContact NH1-OE1 2.69Å; R560-E562 PolarHBondContact NH1-OE1 2.73Å; R560-E562 IonicContact NH2-OE1 3.59Å; R560-E562 PolarHBondContact NH2-OE1 3.29Å; E562-V568 CarbonylContact O-C 3.51Å; E562-V568 WeakPolarHBondContact O-CA 3.48Å; E562-V569 HydrophobicContact CB-CB 4.46Å; E562-V569 PolarHBondContact N-O 2.87Å; E562-V569 PolarHBondContact O-N 3.36Å; E562-Y571 HydrophobicContact CB-CE2 4.41Å; E562-Y571 HydrophobicContact CG-CE2 3.93Å
563	H	83.9	Confident	84.5	Confident	93 Å²	93	59.2 Å²	59.2	43%	0.431	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.8	166.5	175.5	-137.2	0	0	0	106.1	P544 L549 H567	P544-H563 WeakPolarHBondContact CG-NE2 3.32Å; L549-H563 HydrophobicContact CD2-CB 4.38Å; H563-H567 WeakPolarHBondContact CA-O 3.38Å; H563-H567 PolarHBondContact CD2-O 2.8Å
564	K	75.7	Confident	84.6	Confident	122 Å²	122	55 Å²	55	53%	0.53	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.1	-177.2	-170.3	-171.2	173.5	-165.8	0	108.2	D566 H567	K564-D566 PolarHBondContact O-N 3.38Å; K564-H567 PolarHBondContact N-O 2.83Å; K564-H567 PolarHBondContact O-N 3.06Å
565	D	80.3	Confident	84.7	Confident	128 Å²	128	50.8 Å²	50.8	68%	0.684	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	-120.5	-178.6	-52.9	-45	0	0	0	110.7
566	D	85.6	Confident	84.8	Confident	59 Å²	59	54.2 Å²	54.2	32%	0.316	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	18.9	176.9	62.1	-39.9	0	0	0	113.5	K537 V538 K564	K537-D566 VanDerWaalsContact CE-OD2 3.23Å; K537-D566 WeakPolarHBondContact CE-OD2 3.41Å; K537-D566 IonicContact NZ-OD2 2.78Å; V538-D566 WeakPolarHBondContact CB-O 3.41Å; V538-D566 WeakPolarHBondContact CG2-O 3.16Å; V538-D566 PolarHBondContact N-O 3.41Å; K564-D566 PolarHBondContact O-N 3.38Å
567	H	89.3	Confident	85.1	Confident	52 Å²	52	54 Å²	54	24%	0.241	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.2	-177	-74.7	-102.2	0	0	0	113.2	D535 I536 H563 K564 V569	D535-H567 IonicContact OD1-CE1 2.6Å; D535-H567 IonicContact OD1-CG 2.66Å; D535-H567 IonicContact OD1-ND1 3.97Å; D535-H567 PolarHBondContact OD1-ND1 3.38Å; D535-H567 IonicContact OD2-ND1 3.52Å; I536-H567 WeakPolarHBondContact O-CA 3.2Å; H563-H567 WeakPolarHBondContact CA-O 3.38Å; H563-H567 PolarHBondContact CD2-O 2.8Å; K564-H567 PolarHBondContact N-O 2.83Å; K564-H567 PolarHBondContact O-N 3.06Å; H567-V569 HydrophobicContact CB-CG2 4.28Å
568	V	91.3	Very high	85.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.2	165.2	179.9	0	0	0	0	108.4	I536 V538 P544 L549 V561 E562 L585	I536-V568 HydrophobicContact CB-CB 4.32Å; I536-V568 WeakPolarHBondContact CB-O 3.31Å; I536-V568 HydrophobicContact CD1-CG1 4.47Å; I536-V568 PolarHBondContact N-O 2.94Å; I536-V568 PolarHBondContact O-N 2.97Å; V538-V568 HydrophobicContact CG2-CG2 4.05Å; P544-V568 HydrophobicContact CB-CG2 4.07Å; P544-V568 HydrophobicContact CG-CG2 3.97Å; L549-V568 HydrophobicContact CD1-CG1 4Å; V561-V568 HydrophobicContact CG1-CG1 3.74Å; E562-V568 CarbonylContact O-C 3.51Å; E562-V568 WeakPolarHBondContact O-CA 3.48Å; V568-L585 HydrophobicContact CB-CD2 4.17Å; V568-L585 HydrophobicContact CG1-CD1 4.49Å; V568-L585 HydrophobicContact CG1-CD2 4.2Å; V568-L585 HydrophobicContact CG2-CD2 4.18Å
569	V	88.3	Confident	85.6	Confident	17 Å²	17	57.8 Å²	57.8	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.8	-175.2	-172	0	0	0	0	109.6	I533 V561 E562 H567 Y571	I533-V569 HydrophobicContact CG2-CG1 3.5Å; V561-V569 CarbonylContact C-O 3.52Å; V561-V569 WeakPolarHBondContact CA-O 3.46Å; E562-V569 HydrophobicContact CB-CB 4.46Å; E562-V569 PolarHBondContact N-O 2.87Å; E562-V569 PolarHBondContact O-N 3.36Å; H567-V569 HydrophobicContact CB-CG2 4.28Å; V569-Y571 HydrophobicContact CB-CE2 4.21Å; V569-Y571 HydrophobicContact CG1-CD2 4.38Å; V569-Y571 HydrophobicContact CG1-CE2 3.71Å
570	M	89.1	Confident	86.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.6	179.4	178.8	173.5	65.5	0	0	110.9	I533 V534 L552 V558 V561 L572 H583	I533-M570 WeakPolarHBondContact CA-O 3.38Å; V534-M570 HydrophobicContact CB-CB 4.3Å; V534-M570 HydrophobicContact CB-CE 3.71Å; V534-M570 HydrophobicContact CG1-CE 4.12Å; V534-M570 HydrophobicContact CG2-CE 3.73Å; V534-M570 PolarHBondContact N-O 2.91Å; V534-M570 PolarHBondContact O-N 3.18Å; L552-M570 HydrophobicContact CD1-SD 3.78Å; L552-M570 HydrophobicContact CD2-SD 4.41Å; L552-M570 HydrophobicContact CG-SD 4.21Å; V558-M570 HydrophobicContact CG1-CG 4.04Å; V558-M570 HydrophobicContact CG2-CG 3.98Å; V558-M570 HydrophobicContact CG2-SD 3.63Å; V561-M570 HydrophobicContact CG2-CG 4.46Å; M570-L572 HydrophobicContact CE-CD1 4.4Å; M570-L572 HydrophobicContact CE-CD2 4.01Å; M570-L572 HydrophobicContact CE-CG 4.37Å; M570-L572 HydrophobicContact CG-CD2 3.97Å; M570-L572 HydrophobicContact CG-CG 4.5Å; M570-L572 HydrophobicContact SD-CD2 4Å; M570-H583 HydrophobicContact CE-CB 4.2Å; M570-H583 HydrophobicContact SD-CB 4.24Å
571	Y	83.9	Confident	87.2	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.059	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.3	-178.8	-62.9	-105.4	0	0	0	109.6	M531 I533 V558 D559 R560 E562 V569 Y606	M531-Y571 HydrophobicContact CE-CD1 4.4Å; M531-Y571 HydrophobicContact SD-CD1 4.33Å; I533-Y571 HydrophobicContact CD1-CD1 3.17Å; I533-Y571 HydrophobicContact CD1-CE1 3.48Å; I533-Y571 VanDerWaalsContact CD1-CE1 3.48Å; I533-Y571 HydrophobicContact CD1-CG 3.8Å; V558-Y571 WeakPolarHBondContact CA-O 3.33Å; D559-Y571 PolarHBondContact N-O 3.15Å; R560-Y571 HydrophobicContact CB-CD2 3.83Å; R560-Y571 HydrophobicContact CB-CG 4.12Å; R560-Y571 HydrophobicContact CG-CD2 4.28Å; R560-Y571 WeakPolarHBondContact O-CD2 3.49Å; R560-Y571 PolarHBondContact O-N 2.82Å; E562-Y571 HydrophobicContact CB-CE2 4.41Å; E562-Y571 HydrophobicContact CG-CE2 3.93Å; V569-Y571 HydrophobicContact CB-CE2 4.21Å; V569-Y571 HydrophobicContact CG1-CD2 4.38Å; V569-Y571 HydrophobicContact CG1-CE2 3.71Å; Y571-Y606 HydrophobicContact CE1-CE2 4.46Å
572	L	85.8	Confident	87.7	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.3	178	-57.3	-178.3	0	0	0	110.3	M531 V532 V534 L557 V558 M570 E574 L575	M531-L572 CarbonylContact C-O 3.55Å; M531-L572 WeakPolarHBondContact CA-O 3.5Å; M531-L572 WeakPolarHBondContact CG-O 3.49Å; V532-L572 HydrophobicContact CB-CB 4.26Å; V532-L572 PolarHBondContact N-O 3.07Å; V532-L572 WeakPolarHBondContact O-CB 3.4Å; V532-L572 PolarHBondContact O-N 2.87Å; V534-L572 HydrophobicContact CG2-CD1 3.81Å; V534-L572 HydrophobicContact CG2-CG 4.36Å; L557-L572 WeakPolarHBondContact O-CA 3.43Å; V558-L572 HydrophobicContact CG2-CD2 3.81Å; M570-L572 HydrophobicContact CE-CD1 4.4Å; M570-L572 HydrophobicContact CE-CD2 4.01Å; M570-L572 HydrophobicContact CE-CG 4.37Å; M570-L572 HydrophobicContact CG-CD2 3.97Å; M570-L572 HydrophobicContact CG-CG 4.5Å; M570-L572 HydrophobicContact SD-CD2 4Å; L572-E574 VanDerWaalsContact C-N 3.35Å; L572-E574 PolarHBondContact O-N 2.82Å; L572-L575 HydrophobicContact CD1-CD2 4.06Å
573	R	81.5	Confident	88.3	Confident	112 Å²	112	55.6 Å²	55.6	42%	0.423	29%	0.285	S	S	.	.	S	Bend	trans	-57.7	-43.8	-175.7	-70.9	-176	-73.5	163.3	-4	113.7	M531 L557 D559	M531-R573 WeakPolarHBondContact CA-O 3.46Å; L557-R573 PolarHBondContact O-N 2.55Å; D559-R573 HydrophobicContact CB-CG 3.88Å
574	E	85.6	Confident	88.7	Confident	37 Å²	37	54 Å²	54	17%	0.173	28%	0.284	C	S	.	.			trans	-166.6	160.4	174.6	56.1	179.7	-148.5	0	0	109.2	K258 L572	K258-E574 IonicContact NZ-OE2 2.98Å; K258-E574 PolarHBondContact NZ-OE2 3.22Å; L572-E574 VanDerWaalsContact C-N 3.35Å; L572-E574 PolarHBondContact O-N 2.82Å
575	L	90.1	Very high	89.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.			trans	-117.8	133.8	166.3	-65.9	177.3	0	0	0	108.7	L495 T528 T529 V532 L572 I581 I603	L495-L575 HydrophobicContact CD2-CD1 3.98Å; T528-L575 CarbonylContact C-O 3.54Å; T528-L575 VanDerWaalsContact CA-O 3.27Å; T528-L575 WeakPolarHBondContact CA-O 3.47Å; T529-L575 HydrophobicContact CG2-CB 3.91Å; T529-L575 PolarHBondContact N-O 3.08Å; T529-L575 PolarHBondContact OG1-N 2.66Å; V532-L575 HydrophobicContact CB-CD1 4.38Å; V532-L575 HydrophobicContact CG1-CD1 4.13Å; V532-L575 HydrophobicContact CG2-CD1 4.11Å; V532-L575 HydrophobicContact CG2-CG 4.22Å; L572-L575 HydrophobicContact CD1-CD2 4.06Å; L575-I581 HydrophobicContact CD2-CB 4.34Å; L575-I581 HydrophobicContact CD2-CG1 3.93Å; L575-I603 HydrophobicContact CD1-CD1 4.19Å
576	Q	90.9	Very high	90.2	Very high	102 Å²	102	44.2 Å²	44.2	48%	0.477	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-85.8	142.3	175.1	-62	-172.5	-17.1	0	0	110.1	T528 G578 V579	T528-Q576 HydrophobicContact CG2-CG 4.04Å; Q576-G578 PolarHBondContact O-N 3.04Å; Q576-V579 HydrophobicContact CB-CB 4.11Å; Q576-V579 HydrophobicContact CB-CG2 3.93Å; Q576-V579 PolarHBondContact O-N 2.58Å; Q576-V579 VanDerWaalsContact O-N 3.15Å
577	R	91.9	Very high	90.6	Very high	137 Å²	137	41.4 Å²	41.4	52%	0.517	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-59.2	125.5	-179.8	-175.8	180	176.2	-179	0.5	110.8	Y522 G524 K525 E526 N527 V579	Y522-R577 HydrophobicContact CD1-CB 4.02Å; Y522-R577 HydrophobicContact CE1-CB 4.26Å; G524-R577 VanDerWaalsContact O-CD 3.26Å; G524-R577 WeakPolarHBondContact O-CD 3.47Å; G524-R577 PolarHBondContact O-NE 2.98Å; K525-R577 PolarHBondContact O-NH1 3.29Å; E526-R577 WeakPolarHBondContact O-CD 3.37Å; N527-R577 WeakPolarHBondContact O-CB 3.42Å; N527-R577 PolarHBondContact O-N 3.5Å; R577-V579 VanDerWaalsContact C-N 3.26Å; R577-V579 PolarHBondContact O-N 2.83Å
578	G	90.6	Very high	90.7	Very high	60 Å²	60	41 Å²	41	62%	0.619	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	1.9	178	0	0	0	0	0	115.4	Y522 Q576	Y522-G578 PolarHBondContact O-N 3.32Å; Q576-G578 PolarHBondContact O-N 3.04Å
579	V	93.6	Very high	90.6	Very high	61 Å²	61	42.4 Å²	42.4	37%	0.37	23%	0.226	S	C	.	.			trans	-103.5	115.9	178.3	-176.4	0	0	0	0	109.4	Q576 R577 I581	Q576-V579 HydrophobicContact CB-CB 4.11Å; Q576-V579 HydrophobicContact CB-CG2 3.93Å; Q576-V579 PolarHBondContact O-N 2.58Å; Q576-V579 VanDerWaalsContact O-N 3.15Å; R577-V579 VanDerWaalsContact C-N 3.26Å; R577-V579 PolarHBondContact O-N 2.83Å; V579-I581 HydrophobicContact CG1-CD1 4.12Å
580	A	93.1	Very high	90.6	Very high	46 Å²	46	46.6 Å²	46.6	38%	0.38	24%	0.244	S	C	.	.			trans	-80.2	136.1	175.1	0	0	0	0	0	110.8	Q519 S520 L521	Q519-A580 HydrophobicContact CG-CB 4.01Å; S520-A580 WeakPolarHBondContact O-CA 3.4Å; L521-A580 HydrophobicContact CD1-CB 4.29Å
581	I	94.4	Very high	90.4	Very high	14 Å²	14	53 Å²	53	7%	0.072	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	176.9	-55.4	-64.7	0	0	0	108.5	Q519 S520 L557 L575 V579 H583	Q519-I581 CarbonylContact C-O 3.54Å; Q519-I581 WeakPolarHBondContact CA-O 3.4Å; S520-I581 PolarHBondContact N-O 2.84Å; S520-I581 PolarHBondContact O-N 2.63Å; L557-I581 HydrophobicContact CD1-CD1 3.74Å; L557-I581 HydrophobicContact CD1-CG1 3.82Å; L557-I581 HydrophobicContact CD1-CG2 4.46Å; L575-I581 HydrophobicContact CD2-CB 4.34Å; L575-I581 HydrophobicContact CD2-CG1 3.93Å; V579-I581 HydrophobicContact CG1-CD1 4.12Å; I581-H583 WeakPolarHBondContact CG2-CE1 3.49Å
582	N	94.7	Very high	90.4	Very high	104 Å²	104	57.8 Å²	57.8	56%	0.556	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.9	-177.1	-59.7	-25.7	0	0	0	111.4	L518 Q519	L518-N582 CarbonylContact O-C 3.51Å; L518-N582 WeakPolarHBondContact O-CA 3.33Å; Q519-N582 WeakPolarHBondContact CB-OD1 3.33Å; Q519-N582 VanDerWaalsContact CG-OD1 3.31Å; Q519-N582 WeakPolarHBondContact CG-OD1 3.45Å; Q519-N582 PolarHBondContact NE2-OD1 3.46Å
583	H	94.9	Very high	90.5	Very high	9 Å²	9	60.3 Å²	60.3	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.1	174.8	-61.2	105.4	0	0	0	110	L518 L552 Q556 V558 M570 I581	L518-H583 HydrophobicContact CB-CB 4.48Å; L518-H583 PolarHBondContact N-O 3.04Å; L518-H583 PolarHBondContact O-N 3.14Å; L552-H583 HydrophobicContact CD1-CB 3.84Å; Q556-H583 PolarHBondContact O-NE2 2.78Å; V558-H583 WeakPolarHBondContact CG2-NE2 3.33Å; M570-H583 HydrophobicContact CE-CB 4.2Å; M570-H583 HydrophobicContact SD-CB 4.24Å; I581-H583 WeakPolarHBondContact CG2-CE1 3.49Å
584	S	93.1	Very high	90.7	Very high	58 Å²	58	62 Å²	62	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.4	178.9	64	0	0	0	0	111.1	I516	I516-S584 CarbonylContact O-C 3.56Å; I516-S584 WeakPolarHBondContact O-CA 3.39Å
585	L	93.1	Very high	90.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.2	173.4	178.7	65.9	0	0	0	110.2	I516 I536 P544 L549 L552 V568 L587	I516-L585 PolarHBondContact N-O 2.99Å; I516-L585 PolarHBondContact O-N 3.49Å; I536-L585 HydrophobicContact CD1-CD2 4.05Å; I536-L585 HydrophobicContact CG2-CD2 4.05Å; P544-L585 HydrophobicContact CB-CD1 4.37Å; L549-L585 HydrophobicContact CD1-CD1 4.2Å; L552-L585 HydrophobicContact CD2-CD1 4.25Å; V568-L585 HydrophobicContact CB-CD2 4.17Å; V568-L585 HydrophobicContact CG1-CD1 4.49Å; V568-L585 HydrophobicContact CG1-CD2 4.2Å; V568-L585 HydrophobicContact CG2-CD2 4.18Å; L585-L587 HydrophobicContact CD2-CD2 3.9Å; L585-L587 HydrophobicContact CG-CD2 4.02Å
586	E	93.9	Very high	90.5	Very high	45 Å²	45	69 Å²	69	21%	0.21	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.3	176	-167.6	179.3	177.9	0	0	110	R513 V545 P548	R513-E586 WeakPolarHBondContact CD-OE1 3.41Å; R513-E586 IonicContact CZ-OE1 3.65Å; R513-E586 IonicContact NE-OE1 3.68Å; R513-E586 IonicContact NH1-OE1 2.72Å; R513-E586 PolarHBondContact NH1-OE1 2.96Å; V545-E586 HydrophobicContact CG2-CB 4.39Å; V545-E586 HydrophobicContact CG2-CG 4.09Å; V545-E586 PolarHBondContact N-O 2.81Å; P548-E586 HydrophobicContact CB-CB 3.99Å; P548-E586 HydrophobicContact CG-CB 3.91Å; P548-E586 WeakPolarHBondContact CG-OE2 3.48Å
587	L	93.1	Very high	90.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.5	174.6	-55	-175.6	0	0	0	110.1	R513 L514 I516 V538 F542 A543 P544 L585 Y617	R513-L587 CarbonylContact C-O 3.54Å; R513-L587 WeakPolarHBondContact CA-O 3.47Å; L514-L587 HydrophobicContact CB-CB 4.38Å; L514-L587 HydrophobicContact CD2-CD1 4.33Å; L514-L587 PolarHBondContact N-O 2.94Å; L514-L587 PolarHBondContact O-N 2.89Å; I516-L587 HydrophobicContact CD1-CD1 3.5Å; I516-L587 VanDerWaalsContact CD1-CD1 3.5Å; I516-L587 HydrophobicContact CD1-CG 3.94Å; V538-L587 HydrophobicContact CG1-CD1 4.13Å; V538-L587 HydrophobicContact CG1-CD2 4.33Å; V538-L587 HydrophobicContact CG2-CD2 4.47Å; F542-L587 HydrophobicContact CB-CB 4.32Å; F542-L587 HydrophobicContact CB-CD1 4.41Å; F542-L587 HydrophobicContact CD1-CB 4.08Å; A543-L587 CarbonylContact O-C 3.56Å; A543-L587 WeakPolarHBondContact O-CA 3.35Å; P544-L587 HydrophobicContact CB-CD2 4.02Å; L585-L587 HydrophobicContact CD2-CD2 3.9Å; L585-L587 HydrophobicContact CG-CD2 4.02Å; L587-Y617 HydrophobicContact CD1-CE2 4.43Å
588	Q	91.3	Very high	90.3	Very high	44 Å²	44	64.9 Å²	64.9	21%	0.206	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.7	175	-173.6	-177.8	-73.2	0	0	109.7	K511 R513 F542 A543 V545 E590	K511-Q588 HydrophobicContact CB-CG 3.94Å; R513-Q588 HydrophobicContact CG-CG 4.41Å; F542-Q588 CarbonylContact C-O 3.59Å; F542-Q588 WeakPolarHBondContact CA-O 3.23Å; A543-Q588 PolarHBondContact N-O 2.89Å; A543-Q588 PolarHBondContact O-N 3.16Å; V545-Q588 HydrophobicContact CG2-CB 3.87Å; Q588-E590 PolarHBondContact O-N 3.19Å
589	Q	89.5	Confident	90.3	Very high	29 Å²	29	62.3 Å²	62.3	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.1	174.9	-167.8	173.7	36.9	0	0	110.2	P512 G541 F542 F591	P512-Q589 HydrophobicContact CB-CB 4.47Å; P512-Q589 PolarHBondContact O-N 2.89Å; G541-Q589 CarbonylContact O-C 3.56Å; F542-Q589 HydrophobicContact CD1-CB 4.05Å; F542-Q589 HydrophobicContact CD2-CG 4.5Å; F542-Q589 HydrophobicContact CE1-CB 3.75Å; F542-Q589 HydrophobicContact CE1-CG 4.39Å; F542-Q589 HydrophobicContact CE2-CB 4.38Å; F542-Q589 HydrophobicContact CE2-CG 4.14Å; F542-Q589 HydrophobicContact CG-CB 4.5Å; F542-Q589 HydrophobicContact CZ-CB 3.92Å; F542-Q589 HydrophobicContact CZ-CG 4.08Å; Q589-F591 VanDerWaalsContact CG-O 3.31Å; Q589-F591 WeakPolarHBondContact CG-O 3.49Å; Q589-F591 PolarHBondContact NE2-O 3.2Å
590	E	88.2	Confident	90.2	Very high	105 Å²	105	59.9 Å²	59.9	49%	0.491	32%	0.318	S	S	.	.	S	Bend	trans	-95.5	-38	174	-61.5	-158.5	145.9	0	0	111.8	G541 A543 Q588	G541-E590 PolarHBondContact O-N 3.48Å; A543-E590 HydrophobicContact CB-CG 3.9Å; Q588-E590 PolarHBondContact O-N 3.19Å
591	F	85.6	Confident	90.1	Very high	134 Å²	134	57.7 Å²	57.7	59%	0.588	30%	0.3	S	S	*	.	S	Bend	trans	-134.9	140.4	-179.7	-52.8	-78.6	0	0	0	110.7	G541 Q589	G541-F591 PolarHBondContact O-N 3.07Å; Q589-F591 VanDerWaalsContact CG-O 3.31Å; Q589-F591 WeakPolarHBondContact CG-O 3.49Å; Q589-F591 PolarHBondContact NE2-O 3.2Å
592	P	84.6	Confident	89.9	Confident	117 Å²	117	59.5 Å²	59.5	76%	0.76	31%	0.307	S	S	*	.			trans	-70.1	131.9	175.5	29.3	-33.1	0	0	0	110.2
593	V	87.4	Confident	89.7	Confident	52 Å²	52	54.6 Å²	54.6	32%	0.315	28%	0.281	S	S	.	.			trans	-128.7	132.7	176.3	-177.7	0	0	0	0	107.9	T540 L596	T540-V593 HydrophobicContact CG2-CG1 4.49Å; T540-V593 HydrophobicContact CG2-CG2 4.15Å; T540-V593 WeakPolarHBondContact O-CG2 2.89Å; V593-L596 HydrophobicContact CB-CD2 3.72Å; V593-L596 HydrophobicContact CB-CG 3.98Å; V593-L596 HydrophobicContact CG1-CD2 3.56Å; V593-L596 HydrophobicContact CG1-CG 3.93Å; V593-L596 HydrophobicContact CG2-CD2 4.49Å
594	Q	84.2	Confident	89.1	Confident	149 Å²	149	56.5 Å²	56.5	70%	0.696	29%	0.288	S	S	*	.	S	Bend	trans	-97.2	153.7	176.4	-64.2	-180	1.2	0	0	109.8	L596	Q594-L596 PolarHBondContact O-N 3.37Å
595	N	84	Confident	88.2	Confident	146 Å²	146	54 Å²	54	78%	0.781	27%	0.27	S	S	*	.	S	Bend	trans	50.8	45.6	179.6	-56.8	-26.7	0	0	0	112.4	K597	N595-K597 PolarHBondContact O-N 3.44Å
596	L	88.1	Confident	87.1	Confident	37 Å²	37	56.8 Å²	56.8	19%	0.194	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.7	124.9	178.5	-84	166.2	0	0	0	109.9	T540 F542 V593 Q594 Y619	T540-L596 WeakPolarHBondContact O-CD2 3.3Å; F542-L596 HydrophobicContact CE2-CD1 4.02Å; V593-L596 HydrophobicContact CB-CD2 3.72Å; V593-L596 HydrophobicContact CB-CG 3.98Å; V593-L596 HydrophobicContact CG1-CD2 3.56Å; V593-L596 HydrophobicContact CG1-CG 3.93Å; V593-L596 HydrophobicContact CG2-CD2 4.49Å; Q594-L596 PolarHBondContact O-N 3.37Å; L596-Y619 HydrophobicContact CD1-CD1 4.44Å
597	K	88.8	Confident	85.4	Confident	117 Å²	117	55.1 Å²	55.1	51%	0.509	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-77.3	150.2	169	-61.4	-53.5	-161	134.7	0	109.8	E85 L539 N595	E85-K597 IonicContact OE1-NZ 3.42Å; E85-K597 PolarHBondContact OE1-NZ 3.23Å; E85-K597 VanDerWaalsContact OE2-CD 3.27Å; E85-K597 WeakPolarHBondContact OE2-CD 3.31Å; E85-K597 WeakPolarHBondContact OE2-CE 3.41Å; E85-K597 IonicContact OE2-NZ 2.63Å; E85-K597 PolarHBondContact OE2-NZ 2.87Å; L539-K597 WeakPolarHBondContact CD2-O 3.41Å; N595-K597 PolarHBondContact O-N 3.44Å
598	P	90.6	Very high	84	Confident	36 Å²	36	58.7 Å²	58.7	23%	0.234	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-57.5	143.9	175.7	-15.9	25.2	0	0	0	111.5	E616 Y617 N618	P598-E616 HydrophobicContact CB-CB 3.83Å; P598-E616 HydrophobicContact CB-CG 4.16Å; P598-Y617 WeakPolarHBondContact CA-O 2.98Å; P598-N618 WeakPolarHBondContact CA-OD1 3.31Å; P598-N618 VanDerWaalsContact CB-OD1 3.29Å; P598-N618 WeakPolarHBondContact CB-OD1 3.26Å; P598-N618 VanDerWaalsContact CG-OD1 3.24Å; P598-N618 WeakPolarHBondContact CG-OD1 3.39Å
599	A	91.3	Very high	82.6	Confident	5 Å²	5	59.3 Å²	59.3	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.7	170.2	0	0	0	0	0	110.1	K537 L539 E616 Y617	K537-A599 HydrophobicContact CB-CB 4.47Å; K537-A599 WeakPolarHBondContact O-CB 3.36Å; L539-A599 HydrophobicContact CD2-CB 3.6Å; L539-A599 HydrophobicContact CG-CB 3.89Å; A599-E616 CarbonylContact O-C 3.53Å; A599-E616 VanDerWaalsContact O-CA 3.32Å; A599-E616 WeakPolarHBondContact O-CA 3.47Å; A599-Y617 HydrophobicContact CB-CD1 4.11Å; A599-Y617 HydrophobicContact CB-CE1 3.46Å; A599-Y617 VanDerWaalsContact CB-CE1 3.46Å; A599-Y617 HydrophobicContact CB-CE2 4.46Å; A599-Y617 PolarHBondContact N-O 3.19Å; A599-Y617 VanDerWaalsContact O-CD1 3.32Å; A599-Y617 WeakPolarHBondContact O-CD1 3.4Å; A599-Y617 PolarHBondContact O-N 2.84Å
600	V	90.4	Very high	81.5	Confident	11 Å²	11	61.9 Å²	61.9	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.1	-177	-177.5	0	0	0	0	110.3	T488 K537 K602 E614 E616	T488-V600 HydrophobicContact CG2-CG1 4.2Å; K537-V600 WeakPolarHBondContact CB-O 3.39Å; K537-V600 PolarHBondContact N-O 3.03Å; K537-V600 VanDerWaalsContact N-O 3.13Å; V600-K602 HydrophobicContact CG1-CG 3.91Å; V600-E614 HydrophobicContact CG1-CB 4.1Å; V600-E614 HydrophobicContact CG1-CG 4.49Å; V600-E616 HydrophobicContact CG2-CG 4.27Å
601	I	91.6	Very high	80.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.3	166.3	-63.9	158.8	0	0	0	107.8	V497 V499 L518 V534 D535 I536 E614 T615 Y617	V497-I601 HydrophobicContact CG1-CG2 4.17Å; V497-I601 HydrophobicContact CG2-CG2 4.06Å; V499-I601 HydrophobicContact CB-CD1 3.8Å; V499-I601 HydrophobicContact CG1-CD1 4.19Å; V499-I601 HydrophobicContact CG2-CD1 3.58Å; L518-I601 HydrophobicContact CD2-CD1 3.6Å; L518-I601 HydrophobicContact CD2-CG2 4.5Å; V534-I601 HydrophobicContact CG1-CG2 3.92Å; D535-I601 CarbonylContact O-C 3.51Å; D535-I601 WeakPolarHBondContact O-CA 3.46Å; I536-I601 HydrophobicContact CB-CG1 4.4Å; I536-I601 HydrophobicContact CG1-CG1 4.36Å; I536-I601 HydrophobicContact CG1-CG2 4.21Å; I536-I601 HydrophobicContact CG2-CG1 4.04Å; I601-E614 CarbonylContact O-C 3.59Å; I601-E614 WeakPolarHBondContact O-CA 3.38Å; I601-T615 HydrophobicContact CB-CG2 3.95Å; I601-T615 HydrophobicContact CD1-CG2 4.45Å; I601-T615 PolarHBondContact N-O 3.37Å; I601-T615 PolarHBondContact O-N 3.03Å; I601-Y617 HydrophobicContact CD1-CD1 3.43Å; I601-Y617 VanDerWaalsContact CD1-CD1 3.43Å; I601-Y617 HydrophobicContact CD1-CE1 3.84Å; I601-Y617 HydrophobicContact CD1-CG 4.26Å; I601-Y617 HydrophobicContact CG1-CD1 3.77Å; I601-Y617 HydrophobicContact CG1-CE1 3.83Å
602	K	89.4	Confident	80.8	Confident	52 Å²	52	55.6 Å²	55.6	23%	0.226	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134	177.2	-48.8	-168.4	176.2	-147.8	0	109.4	V534 D535 V600 Y604 A613 E614	V534-K602 CarbonylContact C-O 3.55Å; V534-K602 WeakPolarHBondContact CA-O 3.46Å; D535-K602 HydrophobicContact CB-CB 4.34Å; D535-K602 PolarHBondContact N-O 3.5Å; D535-K602 PolarHBondContact O-N 3.08Å; V600-K602 HydrophobicContact CG1-CG 3.91Å; K602-Y604 HydrophobicContact CB-CD1 4.19Å; K602-Y604 HydrophobicContact CB-CE1 4.41Å; K602-A613 WeakPolarHBondContact CA-O 3Å; K602-E614 HydrophobicContact CB-CG 4.27Å; K602-E614 HydrophobicContact CD-CG 4.24Å; K602-E614 VanDerWaalsContact CD-OE1 3.26Å; K602-E614 WeakPolarHBondContact CD-OE1 3.34Å; K602-E614 WeakPolarHBondContact CE-OE1 3.43Å; K602-E614 HydrophobicContact CG-CG 3.86Å; K602-E614 IonicContact NZ-OE1 3.63Å; K602-E614 PolarHBondContact NZ-OE1 3.48Å; K602-E614 IonicContact NZ-OE2 2.65Å
603	I	89.8	Confident	81	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.3	166.4	-173.4	171.3	0	0	0	108.3	L495 V497 V532 I533 V534 L575 Q612 A613	L495-I603 HydrophobicContact CB-CG2 4.27Å; V497-I603 HydrophobicContact CB-CB 3.96Å; V497-I603 HydrophobicContact CB-CD1 4.31Å; V497-I603 HydrophobicContact CB-CG2 3.68Å; V497-I603 HydrophobicContact CG1-CB 3.91Å; V497-I603 HydrophobicContact CG1-CG2 3.47Å; V497-I603 VanDerWaalsContact CG1-CG2 3.47Å; V532-I603 HydrophobicContact CG1-CD1 3.8Å; V532-I603 HydrophobicContact CG1-CG1 3.43Å; V532-I603 VanDerWaalsContact CG1-CG1 3.43Å; I533-I603 CarbonylContact O-C 3.52Å; I533-I603 VanDerWaalsContact O-CA 3.25Å; I533-I603 WeakPolarHBondContact O-CA 3.44Å; V534-I603 HydrophobicContact CG2-CD1 4.09Å; V534-I603 HydrophobicContact CG2-CG1 4.04Å; L575-I603 HydrophobicContact CD1-CD1 4.19Å; I603-Q612 CarbonylContact O-C 3.6Å; I603-Q612 WeakPolarHBondContact O-CA 3.45Å; I603-A613 HydrophobicContact CG2-CB 3.65Å; I603-A613 PolarHBondContact N-O 3.12Å; I603-A613 PolarHBondContact O-N 2.78Å
604	Y	82.5	Confident	81.1	Confident	50 Å²	50	49 Å²	49	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150.5	-179.5	55.7	-90.1	0	0	0	111.4	V532 I533 D535 K602 Y606 P609 D611	V532-Y604 WeakPolarHBondContact CA-O 3.44Å; I533-Y604 HydrophobicContact CB-CD1 4.4Å; I533-Y604 HydrophobicContact CB-CD2 4.08Å; I533-Y604 HydrophobicContact CB-CE1 3.99Å; I533-Y604 HydrophobicContact CB-CE2 3.63Å; I533-Y604 HydrophobicContact CB-CG 4.44Å; I533-Y604 HydrophobicContact CG1-CD2 4.28Å; I533-Y604 HydrophobicContact CG1-CE2 3.68Å; I533-Y604 HydrophobicContact CG2-CE1 3.92Å; I533-Y604 HydrophobicContact CG2-CE2 4.16Å; I533-Y604 WeakPolarHBondContact CG2-OH 3.39Å; I533-Y604 PolarHBondContact N-O 2.98Å; I533-Y604 PolarHBondContact O-N 3.28Å; D535-Y604 HydrophobicContact CB-CE1 3.98Å; K602-Y604 HydrophobicContact CB-CD1 4.19Å; K602-Y604 HydrophobicContact CB-CE1 4.41Å; Y604-Y606 PolarHBondContact O-N 2.82Å; Y604-P609 HydrophobicContact CD2-CB 4.37Å; Y604-D611 WeakPolarHBondContact CA-O 3.3Å
605	D	75.9	Confident	81.4	Confident	6 Å²	6	43 Å²	43	3%	0.032	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124	168.3	-173.5	-65.5	0	0	0	108.2	L495 N530 Y607 Q608 D611	L495-D605 HydrophobicContact CD1-CB 4.31Å; N530-D605 WeakPolarHBondContact CB-OD2 3.26Å; N530-D605 PolarHBondContact N-OD2 2.9Å; N530-D605 PolarHBondContact ND2-OD1 3.24Å; N530-D605 PolarHBondContact ND2-OD2 2.84Å; D605-Y607 PolarHBondContact O-N 2.95Å; D605-Y607 VanDerWaalsContact O-N 3.14Å; D605-Y607 WeakPolarHBondContact OD1-CA 3.2Å; D605-Y607 PolarHBondContact OD1-N 2.85Å; D605-Q608 HydrophobicContact CB-CB 4.06Å; D605-Q608 CarbonylContact O-C 3.54Å; D605-Q608 PolarHBondContact O-N 2.9Å; D605-Q608 VanDerWaalsContact O-N 3.16Å; D605-Q608 PolarHBondContact OD1-N 3.4Å; D605-D611 HydrophobicContact CB-CB 4.36Å; D605-D611 PolarHBondContact N-O 2.02Å
606	Y	68.9	Low	81.7	Confident	57 Å²	57	39.4 Å²	39.4	22%	0.224	20%	0.201	C	C	.	.	S	Bend	trans	-58.6	-32.5	-174.7	177.8	-99	0	0	0	112.2	Q152 M531 I533 Y571 Y604	Q152-Y606 HydrophobicContact CG-CE1 3.55Å; Q152-Y606 WeakPolarHBondContact CG-OH 3.47Å; Q152-Y606 PolarHBondContact NE2-OH 3.28Å; M531-Y606 HydrophobicContact CE-CD1 3.17Å; M531-Y606 HydrophobicContact CE-CD2 3.85Å; M531-Y606 HydrophobicContact CE-CE1 3.79Å; M531-Y606 HydrophobicContact CE-CE2 4.34Å; M531-Y606 HydrophobicContact CE-CG 3.23Å; M531-Y606 VanDerWaalsContact O-CB 3.3Å; M531-Y606 WeakPolarHBondContact O-CB 3.39Å; M531-Y606 PolarHBondContact O-N 2.91Å; I533-Y606 HydrophobicContact CD1-CD2 3.61Å; I533-Y606 HydrophobicContact CD1-CE2 4.5Å; I533-Y606 HydrophobicContact CD1-CG 4.17Å; I533-Y606 HydrophobicContact CG1-CD2 3.52Å; I533-Y606 HydrophobicContact CG1-CG 4.11Å; Y571-Y606 HydrophobicContact CE1-CE2 4.46Å; Y604-Y606 PolarHBondContact O-N 2.82Å
607	Y	59	Low	81.9	Confident	11 Å²	11	37.9 Å²	37.9	4%	0.043	19%	0.193	C	C	.	.	S	Bend	trans	-97.5	-18.9	-177.8	-58.1	-60.4	0	0	0	112.7	E151 F260 N261 R263 N530 M531 D605	E151-Y607 PolarHBondContact OE2-OH 3.24Å; F260-Y607 HydrophobicContact CB-CE2 4.23Å; N261-Y607 VanDerWaalsContact CA-CE2 3.48Å; N261-Y607 HydrophobicContact CB-CD1 3.53Å; N261-Y607 HydrophobicContact CB-CD2 3.62Å; N261-Y607 HydrophobicContact CB-CE1 3.38Å; N261-Y607 HydrophobicContact CB-CE2 3.5Å; N261-Y607 HydrophobicContact CB-CG 3.6Å; N261-Y607 WeakPolarHBondContact ND2-CD1 3.39Å; N261-Y607 WeakPolarHBondContact ND2-CE1 3.42Å; N261-Y607 VanDerWaalsContact OD1-CB 3.26Å; N261-Y607 WeakPolarHBondContact OD1-CB 3.28Å; N261-Y607 WeakPolarHBondContact OD1-CD1 3.49Å; N261-Y607 VanDerWaalsContact OD1-CG 3.29Å; R263-Y607 WeakPolarHBondContact CD-O 3.45Å; R263-Y607 PolarHBondContact NE-O 2.78Å; R263-Y607 PolarHBondContact NH1-O 3.37Å; N530-Y607 HydrophobicContact CB-CD2 3.85Å; M531-Y607 HydrophobicContact CB-CE2 4.1Å; M531-Y607 HydrophobicContact CE-CE2 4.4Å; D605-Y607 PolarHBondContact O-N 2.95Å; D605-Y607 VanDerWaalsContact O-N 3.14Å; D605-Y607 WeakPolarHBondContact OD1-CA 3.2Å; D605-Y607 PolarHBondContact OD1-N 2.85Å
608	Q	62.6	Low	82	Confident	75 Å²	75	35.8 Å²	35.8	35%	0.35	19%	0.187	S	C	.	.			trans	-125.3	73	172.9	177.6	155.7	-5.8	0	0	111.5	D605 S610 D611	D605-Q608 HydrophobicContact CB-CB 4.06Å; D605-Q608 CarbonylContact O-C 3.54Å; D605-Q608 PolarHBondContact O-N 2.9Å; D605-Q608 VanDerWaalsContact O-N 3.16Å; D605-Q608 PolarHBondContact OD1-N 3.4Å; Q608-S610 WeakPolarHBondContact CG-OG 3.22Å; Q608-S610 PolarHBondContact O-N 3.36Å; Q608-D611 HydrophobicContact CG-CB 3.93Å; Q608-D611 PolarHBondContact O-N 2.9Å
609	P	62.3	Low	82	Confident	57 Å²	57	35.5 Å²	35.5	37%	0.37	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.6	-178.4	-24.4	34.6	0	0	0	114.5	Y604 D611 Q612	Y604-P609 HydrophobicContact CD2-CB 4.37Å; P609-D611 VanDerWaalsContact C-N 3.28Å; P609-Q612 WeakPolarHBondContact O-CB 3.47Å; P609-Q612 VanDerWaalsContact O-CD 3.27Å; P609-Q612 WeakPolarHBondContact O-CG 3.34Å; P609-Q612 PolarHBondContact O-OE1 2.74Å
610	S	67.1	Low	81.8	Confident	82 Å²	82	38.4 Å²	38.4	57%	0.573	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.7	171	60.9	0	0	0	0	113.1	R263 Q608 Q612	R263-S610 PolarHBondContact NH2-OG 2.79Å; Q608-S610 WeakPolarHBondContact CG-OG 3.22Å; Q608-S610 PolarHBondContact O-N 3.36Å; S610-Q612 PolarHBondContact O-N 2.89Å
611	D	73.9	Confident	81.3	Confident	23 Å²	23	39.6 Å²	39.6	12%	0.123	21%	0.208	C	C	.	.	S	Bend	trans	-85.6	94.5	165.7	-174.1	-4.7	0	0	0	107.3	T494 L495 Y604 D605 Q608 P609	T494-D611 VanDerWaalsContact CB-OD1 3.28Å; T494-D611 WeakPolarHBondContact CB-OD1 3.5Å; T494-D611 VanDerWaalsContact OG1-CG 3.24Å; T494-D611 PolarHBondContact OG1-OD1 2.79Å; L495-D611 WeakPolarHBondContact CD1-O 3Å; Y604-D611 WeakPolarHBondContact CA-O 3.3Å; D605-D611 HydrophobicContact CB-CB 4.36Å; D605-D611 PolarHBondContact N-O 2.02Å; Q608-D611 HydrophobicContact CG-CB 3.93Å; Q608-D611 PolarHBondContact O-N 2.9Å; P609-D611 VanDerWaalsContact C-N 3.28Å
612	Q	84.1	Confident	80.1	Confident	85 Å²	85	41.8 Å²	41.8	40%	0.397	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.1	-175.3	63.4	178.9	-10.2	0	0	111.7	I603 P609 S610	I603-Q612 CarbonylContact O-C 3.6Å; I603-Q612 WeakPolarHBondContact O-CA 3.45Å; P609-Q612 WeakPolarHBondContact O-CB 3.47Å; P609-Q612 VanDerWaalsContact O-CD 3.27Å; P609-Q612 WeakPolarHBondContact O-CG 3.34Å; P609-Q612 PolarHBondContact O-OE1 2.74Å; S610-Q612 PolarHBondContact O-N 2.89Å
613	A	88.9	Confident	78	Confident	8 Å²	8	44.1 Å²	44.1	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.4	169.9	0	0	0	0	0	109.3	A492 L495 K602 I603	A492-A613 HydrophobicContact CB-CB 3.22Å; L495-A613 VanDerWaalsContact O-CB 3.29Å; L495-A613 WeakPolarHBondContact O-CB 3.31Å; K602-A613 WeakPolarHBondContact CA-O 3Å; I603-A613 HydrophobicContact CG2-CB 3.65Å; I603-A613 PolarHBondContact N-O 3.12Å; I603-A613 PolarHBondContact O-N 2.78Å
614	E	89.4	Confident	75.3	Confident	21 Å²	21	52.4 Å²	52.4	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.2	176	-56.1	-167.7	179	0	0	109.6	S87 T488 V600 I601 K602	S87-E614 VanDerWaalsContact CB-OE2 3.25Å; S87-E614 WeakPolarHBondContact CB-OE2 3.27Å; S87-E614 PolarHBondContact OG-OE2 2.87Å; T488-E614 HydrophobicContact CG2-CB 3.4Å; T488-E614 VanDerWaalsContact CG2-CB 3.4Å; V600-E614 HydrophobicContact CG1-CB 4.1Å; V600-E614 HydrophobicContact CG1-CG 4.49Å; I601-E614 CarbonylContact O-C 3.59Å; I601-E614 WeakPolarHBondContact O-CA 3.38Å; K602-E614 HydrophobicContact CB-CG 4.27Å; K602-E614 HydrophobicContact CD-CG 4.24Å; K602-E614 VanDerWaalsContact CD-OE1 3.26Å; K602-E614 WeakPolarHBondContact CD-OE1 3.34Å; K602-E614 WeakPolarHBondContact CE-OE1 3.43Å; K602-E614 HydrophobicContact CG-CG 3.86Å; K602-E614 IonicContact NZ-OE1 3.63Å; K602-E614 PolarHBondContact NZ-OE1 3.48Å; K602-E614 IonicContact NZ-OE2 2.65Å
615	T	90.8	Very high	75	Confident	24 Å²	24	52.6 Å²	52.6	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.2	171.8	-169.2	0	0	0	0	108.8	V497 V499 I601	V497-T615 HydrophobicContact CG1-CG2 3.76Å; V499-T615 HydrophobicContact CB-CG2 4.2Å; V499-T615 HydrophobicContact CG1-CG2 3.6Å; I601-T615 HydrophobicContact CB-CG2 3.95Å; I601-T615 HydrophobicContact CD1-CG2 4.45Å; I601-T615 PolarHBondContact N-O 3.37Å; I601-T615 PolarHBondContact O-N 3.03Å
616	E	91.4	Very high	74.9	Confident	71 Å²	71	55 Å²	55	33%	0.332	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.7	175.7	-66.4	178.7	172.6	0	0	110.9	T488 V499 P598 A599 V600	T488-E616 VanDerWaalsContact CB-OE1 3.27Å; T488-E616 WeakPolarHBondContact CB-OE1 3.3Å; T488-E616 HydrophobicContact CG2-CG 4.13Å; T488-E616 PolarHBondContact OG1-OE1 3.49Å; V499-E616 VanDerWaalsContact CG1-O 3.29Å; V499-E616 WeakPolarHBondContact CG1-O 3.36Å; P598-E616 HydrophobicContact CB-CB 3.83Å; P598-E616 HydrophobicContact CB-CG 4.16Å; A599-E616 CarbonylContact O-C 3.53Å; A599-E616 VanDerWaalsContact O-CA 3.32Å; A599-E616 WeakPolarHBondContact O-CA 3.47Å; V600-E616 HydrophobicContact CG2-CG 4.27Å
617	Y	91.6	Very high	75.3	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.6	165.7	74.2	-77.9	0	0	0	110.9	V499 L514 I516 K537 L539 L587 P598 A599 I601	V499-Y617 HydrophobicContact CG2-CG 4.19Å; L514-Y617 HydrophobicContact CD2-CD2 4.35Å; L514-Y617 HydrophobicContact CD2-CE2 3.99Å; I516-Y617 HydrophobicContact CD1-CD2 3.86Å; I516-Y617 HydrophobicContact CD1-CE1 4.34Å; I516-Y617 HydrophobicContact CD1-CE2 3.27Å; I516-Y617 HydrophobicContact CG1-CD2 4.37Å; I516-Y617 HydrophobicContact CG1-CE2 4.18Å; K537-Y617 WeakPolarHBondContact O-CE1 2.97Å; K537-Y617 PolarHBondContact O-OH 3.47Å; L539-Y617 HydrophobicContact CD1-CD2 4.15Å; L539-Y617 HydrophobicContact CD1-CE2 3.56Å; L539-Y617 HydrophobicContact CG-CE2 3.71Å; L539-Y617 PolarHBondContact N-OH 3.36Å; L587-Y617 HydrophobicContact CD1-CE2 4.43Å; P598-Y617 WeakPolarHBondContact CA-O 2.98Å; A599-Y617 HydrophobicContact CB-CD1 4.11Å; A599-Y617 HydrophobicContact CB-CE1 3.46Å; A599-Y617 VanDerWaalsContact CB-CE1 3.46Å; A599-Y617 HydrophobicContact CB-CE2 4.46Å; A599-Y617 PolarHBondContact N-O 3.19Å; A599-Y617 VanDerWaalsContact O-CD1 3.32Å; A599-Y617 WeakPolarHBondContact O-CD1 3.4Å; A599-Y617 PolarHBondContact O-N 2.84Å; I601-Y617 HydrophobicContact CD1-CD1 3.43Å; I601-Y617 VanDerWaalsContact CD1-CD1 3.43Å; I601-Y617 HydrophobicContact CD1-CE1 3.84Å; I601-Y617 HydrophobicContact CD1-CG 4.26Å; I601-Y617 HydrophobicContact CG1-CD1 3.77Å; I601-Y617 HydrophobicContact CG1-CE1 3.83Å
618	N	91.4	Very high	76.2	Confident	73 Å²	73	57.5 Å²	57.5	39%	0.39	38%	0.377	S	S	.	.			trans	-121.9	159.1	-179.5	-74.1	-63	0	0	0	110.7	P501 P598 P620	P501-N618 WeakPolarHBondContact CB-O 3.1Å; P598-N618 WeakPolarHBondContact CA-OD1 3.31Å; P598-N618 VanDerWaalsContact CB-OD1 3.29Å; P598-N618 WeakPolarHBondContact CB-OD1 3.26Å; P598-N618 VanDerWaalsContact CG-OD1 3.24Å; P598-N618 WeakPolarHBondContact CG-OD1 3.39Å; N618-P620 WeakPolarHBondContact O-CD 3.41Å
619	Y	90	Very high	77.1	Confident	30 Å²	30	56.4 Å²	56.4	12%	0.118	38%	0.379	C	S	.	.			trans	-79.9	115.8	168.6	-178.4	-124.6	0	0	0	109.7	A503 P512 L514 F542 L596 C621 G622	A503-Y619 HydrophobicContact CB-CD2 4.44Å; A503-Y619 HydrophobicContact CB-CE2 3.8Å; P512-Y619 WeakPolarHBondContact CB-OH 3.48Å; L514-Y619 HydrophobicContact CB-CD2 4.17Å; L514-Y619 HydrophobicContact CB-CE2 4.28Å; L514-Y619 HydrophobicContact CD1-CD2 4.22Å; L514-Y619 HydrophobicContact CD2-CD2 4.14Å; L514-Y619 HydrophobicContact CG-CD2 4.41Å; F542-Y619 HydrophobicContact CE1-CD2 4.07Å; F542-Y619 HydrophobicContact CE1-CE2 4.1Å; F542-Y619 HydrophobicContact CE2-CG 4.43Å; F542-Y619 HydrophobicContact CZ-CD1 4.04Å; F542-Y619 AromaticContact CZ-CD2 3.69Å; F542-Y619 HydrophobicContact CZ-CD2 3.69Å; F542-Y619 HydrophobicContact CZ-CE1 4.22Å; F542-Y619 AromaticContact CZ-CE2 3.91Å; F542-Y619 HydrophobicContact CZ-CE2 3.91Å; F542-Y619 AromaticContact CZ-CG 3.77Å; F542-Y619 HydrophobicContact CZ-CG 3.77Å; L596-Y619 HydrophobicContact CD1-CD1 4.44Å; Y619-C621 HydrophobicContact CD1-CB 4.27Å; Y619-C621 HydrophobicContact CE1-CB 3.56Å; Y619-C621 HydrophobicContact CE2-CB 4.25Å; Y619-C621 PolarHBondContact O-N 2.75Å; Y619-G622 PolarHBondContact O-N 3.14Å
620	P	86.6	Confident	78	Confident	67 Å²	67	56.3 Å²	56.3	44%	0.435	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.3	-169.2	30	-35.4	0	0	0	113.6	A503 N618	A503-P620 HydrophobicContact CB-CG 3.83Å; N618-P620 WeakPolarHBondContact O-CD 3.41Å
621	C	80.2	Confident	78.8	Confident	35 Å²	35	54.5 Å²	54.5	24%	0.236	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11	179.3	-44.1	0	0	0	0	113.8	C505 Y619	C505-C621 WeakPolarHBondContact CA-SG 3.27Å; C505-C621 HydrophobicContact CB-CB 3.66Å; C505-C621 WeakPolarHBondContact CB-SG 3.46Å; C505-C621 WeakPolarHBondContact SG-CA 3.44Å; C505-C621 WeakPolarHBondContact SG-CB 3.18Å; C505-C621 CovalentContact SG-SG 2.03Å; C505-C621 PolarHBondContact SG-SG 2.89Å; Y619-C621 HydrophobicContact CD1-CB 4.27Å; Y619-C621 HydrophobicContact CE1-CB 3.56Å; Y619-C621 HydrophobicContact CE2-CB 4.25Å; Y619-C621 PolarHBondContact O-N 2.75Å
622	G	65.6	Low	79.2	Confident	47 Å²	47	56.9 Å²	56.9	49%	0.485	38%	0.384	S	S	.	.	S	Bend	trans	-67.7	142	170.7	0	0	0	0	0	111.1	Y619 A624	Y619-G622 PolarHBondContact O-N 3.14Å; G622-A624 PolarHBondContact O-N 3.46Å
623	A	46.5	Very low	78.8	Confident	101 Å²	101	54.6 Å²	54.6	84%	0.835	38%	0.383	S	S	*	.			trans	-62.1	128.5	170.3	0	0	0	0	0	109.3
624	A	33.2	Very low	77.9	Confident	174 Å²	174	58.8 Å²	58.8	100%	1.438	41%	0.412	S	S	*	.			trans	-65.6	0	168.9	0	0	0	0	0	111.6	G622	G622-A624 PolarHBondContact O-N 3.46Å

Retrieved 624 of 624 residues in 694.8 ms (Link to these results)

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